#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtj n GLN 4 N 0.00 0.00 -3.49 1.61 6.02 -1.26 -5.16 117.38 115.10 3gtj n GLN 4 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3gtj n GLN 4 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 3gtj n GLN 4 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3gtj s GLN 5 N 0.01 1.08 0.34 -1.09 -0.21 -1.26 -5.16 119.66 113.37 3gtj s GLN 5 Ca 0.00 -0.02 -0.28 0.00 0.02 0.00 0.00 55.36 55.08 3gtj s GLN 5 Cb 0.00 0.51 -0.10 0.00 1.00 0.00 0.00 33.01 34.42 3gtj s GLN 5 CO 0.00 -0.40 1.25 -0.47 -2.12 0.00 0.00 175.29 173.55 3gtj s TYR 6 N -2.14 3.14 0.01 0.91 5.04 -1.26 -5.06 117.35 117.99 3gtj s TYR 6 Ca -0.05 1.49 0.04 0.00 -2.44 0.00 0.00 57.07 56.10 3gtj s TYR 6 Cb -0.00 -3.57 -0.01 0.00 0.35 0.00 0.00 41.96 38.72 3gtj s TYR 6 CO 0.01 -1.55 -0.12 0.45 -1.34 0.00 0.00 175.55 173.00 3gtj s SER 7 N -0.66 1.37 -0.12 4.32 0.15 -1.26 -5.04 113.70 112.47 3gtj s SER 7 Ca 0.50 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.84 3gtj s SER 7 Cb -0.37 -0.12 0.11 0.00 -1.71 0.00 0.00 66.02 63.93 3gtj s SER 7 CO 0.49 0.08 1.66 -1.54 1.20 0.00 0.00 173.24 175.13 3gtj n SER 8 N 2.42 4.71 -4.02 5.45 3.41 -1.26 -4.77 113.62 119.56 3gtj n SER 8 Ca -0.16 -2.54 -0.31 0.00 -0.26 0.00 0.00 58.87 55.60 3gtj n SER 8 Cb 0.56 -0.88 -0.15 0.00 -0.26 0.00 0.00 64.21 63.48 3gtj n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtj s ALA 9 N -0.73 2.26 0.20 7.33 0.00 -1.26 -5.10 121.76 124.45 3gtj s ALA 9 Ca 0.13 -1.49 -0.33 0.00 0.00 0.00 0.00 51.96 50.27 3gtj s ALA 9 Cb 0.10 -1.45 -0.13 0.00 0.00 0.00 0.00 23.12 21.64 3gtj s ALA 9 CO 0.01 -1.05 1.54 -2.30 0.00 0.00 0.00 175.76 173.96 3gtj n PRO 10 N 4.57 2.22 -2.64 0.00 -0.02 -1.26 -4.93 135.00 132.93 3gtj n PRO 10 Ca -0.14 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 3gtj n PRO 10 Cb 0.44 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 3gtj n PRO 10 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gtj s LEU 11 N 0.58 4.16 0.27 2.45 2.96 -1.26 -5.04 118.68 122.79 3gtj s LEU 11 Ca 0.74 1.47 0.03 0.00 -0.22 0.00 0.00 54.13 56.16 3gtj s LEU 11 Cb -0.64 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.45 3gtj s LEU 11 CO 0.42 -0.61 0.03 -0.13 -1.32 0.00 0.00 176.35 174.73 3gtj s ARG 12 N 2.84 1.46 0.60 1.98 0.52 -1.26 -5.17 118.95 119.92 3gtj s ARG 12 Ca 0.47 -1.77 -0.02 0.00 -0.52 0.00 0.00 55.73 53.89 3gtj s ARG 12 Cb -0.17 -0.67 0.04 0.00 0.52 0.00 0.00 34.95 34.67 3gtj s ARG 12 CO 0.11 -0.15 0.87 0.99 0.02 0.00 0.00 175.30 177.14 3gtj s THR 13 N -3.41 2.72 -0.18 0.02 2.01 -1.26 -5.08 115.64 110.46 3gtj s THR 13 Ca 0.32 -0.44 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 3gtj s THR 13 Cb 0.07 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 3gtj s THR 13 CO 0.12 -0.07 0.55 -0.69 -0.69 0.00 0.00 174.62 173.84 3gtj s VAL 14 N -2.95 5.09 -0.09 3.82 1.01 -1.26 -4.99 120.40 121.03 3gtj s VAL 14 Ca 0.57 1.04 -0.03 0.00 0.00 0.00 0.00 61.98 63.56 3gtj s VAL 14 Cb -0.10 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 3gtj s VAL 14 CO 0.41 0.18 -0.11 0.29 0.00 0.00 0.00 175.10 175.87 3gtj n LYS 15 N 4.70 0.21 -4.70 2.72 4.76 -1.26 -5.04 118.16 119.55 3gtj n LYS 15 Ca -0.04 0.08 -0.30 0.00 -2.87 0.00 0.00 58.31 55.18 3gtj n LYS 15 Cb 0.50 -0.97 -0.14 0.00 -1.84 0.00 0.00 35.03 32.59 3gtj n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3gtj s GLU 16 N -2.18 1.69 -0.23 1.97 2.02 -1.26 -4.45 118.70 116.26 3gtj s GLU 16 Ca -0.13 -1.18 0.01 0.00 0.02 0.00 0.00 54.97 53.68 3gtj s GLU 16 Cb 0.04 -1.97 0.06 0.00 0.10 0.00 0.00 34.13 32.36 3gtj s GLU 16 CO 0.18 0.49 -0.06 0.08 0.02 0.00 0.00 175.26 175.98 3gtj s VAL 17 N -0.91 1.50 -0.40 2.63 1.01 -1.19 -4.99 120.40 118.05 3gtj s VAL 17 Ca 0.13 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 3gtj s VAL 17 Cb -0.10 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.61 3gtj s VAL 17 CO 0.04 -0.07 0.21 -1.58 0.00 0.00 0.00 175.10 173.70 3gtj s GLN 18 N 1.41 2.35 0.19 2.72 -0.44 -1.26 -0.40 119.66 124.23 3gtj s GLN 18 Ca -0.05 -1.59 -0.30 0.00 -2.50 0.00 0.00 55.36 50.92 3gtj s GLN 18 Cb -0.18 -3.63 -0.08 0.00 -1.64 0.00 0.00 33.01 27.47 3gtj s GLN 18 CO -0.06 -0.97 1.00 -0.06 0.50 0.00 0.00 175.29 175.69 3gtj s PHE 19 N 1.29 3.80 0.00 1.67 0.40 -0.21 -4.99 117.98 119.94 3gtj s PHE 19 Ca 0.04 1.79 0.00 0.00 -0.60 0.00 0.00 56.93 58.16 3gtj s PHE 19 Cb -0.23 -3.10 0.00 0.00 0.51 0.00 0.00 43.02 40.20 3gtj s PHE 19 CO -0.01 0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.36 3gtj n GLY 20 N 1.83 4.16 3.10 4.36 0.00 -1.26 -3.57 105.19 113.81 3gtj n GLY 20 Ca 0.01 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 3gtj n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtj s LEU 21 N 0.00 2.45 -0.10 0.99 1.43 -1.17 -4.68 118.68 117.59 3gtj s LEU 21 Ca 0.00 -0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 52.02 3gtj s LEU 21 Cb 0.00 0.08 -0.05 0.00 0.03 0.00 0.00 46.19 46.26 3gtj s LEU 21 CO 0.00 -0.50 0.42 -0.36 0.23 0.00 0.00 176.35 176.14 3gtj s PHE 22 N -3.36 3.54 -0.08 0.29 0.40 -1.26 -4.89 117.98 112.63 3gtj s PHE 22 Ca 0.05 0.84 -0.02 0.00 -0.60 0.00 0.00 56.93 57.20 3gtj s PHE 22 Cb 0.04 -2.45 -0.03 0.00 0.51 0.00 0.00 43.02 41.08 3gtj s PHE 22 CO -0.07 0.28 0.03 -1.54 0.70 0.00 0.00 175.22 174.62 3gtj s SER 23 N 0.25 5.41 0.35 1.36 1.04 -1.26 -4.86 113.70 115.98 3gtj s SER 23 Ca 0.23 0.18 0.22 0.00 0.48 0.00 0.00 55.95 57.06 3gtj s SER 23 Cb -0.15 -1.55 1.24 0.00 0.10 0.00 0.00 66.02 65.66 3gtj s SER 23 CO 0.09 0.37 1.41 -2.65 0.98 0.00 0.00 173.24 173.44 3gtj n PRO 24 N 2.00 -0.05 -0.14 4.02 -0.02 -1.26 -0.29 135.00 139.27 3gtj n PRO 24 Ca -0.18 1.20 -0.11 0.00 -2.02 0.00 0.00 63.50 62.39 3gtj n PRO 24 Cb 0.54 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 3gtj n PRO 24 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gtj h GLU 25 N 0.00 0.72 0.14 -0.52 4.81 -1.99 -2.51 114.58 115.23 3gtj h GLU 25 Ca 0.77 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.75 3gtj h GLU 25 Cb 2.17 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.49 3gtj h GLU 25 CO -0.61 0.83 -0.07 0.93 -0.73 0.00 0.00 179.01 179.36 3gtj h GLU 26 N 0.54 -0.18 -0.47 1.92 5.08 -1.35 -3.30 114.58 116.81 3gtj h GLU 26 Ca 0.11 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.57 3gtj h GLU 26 Cb 0.52 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.71 3gtj h GLU 26 CO 0.03 -0.06 -0.36 0.28 -1.00 0.00 0.00 179.01 177.89 3gtj h VAL 27 N -1.04 0.17 -0.01 3.13 2.07 -0.77 0.21 116.25 120.00 3gtj h VAL 27 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3gtj h VAL 27 Cb 0.20 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3gtj h VAL 27 CO 0.03 0.00 0.05 -0.09 0.02 0.00 0.00 177.57 177.58 3gtj h ARG 28 N -0.24 0.00 -0.13 1.57 2.43 -1.64 0.32 114.38 116.69 3gtj h ARG 28 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3gtj h ARG 28 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3gtj h ARG 28 CO -0.60 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 177.86 3gtj n ALA 29 N -2.13 2.44 0.08 2.80 0.00 0.53 -4.62 120.51 119.61 3gtj n ALA 29 Ca -0.03 -0.76 0.10 0.00 0.00 0.00 0.00 53.44 52.75 3gtj n ALA 29 Cb 0.12 -0.65 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 3gtj n ALA 29 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3gtj n ILE 30 N 1.08 0.00 -4.51 0.00 3.06 0.10 -5.05 119.36 114.04 3gtj n ILE 30 Ca 0.12 -0.40 -0.25 0.00 -2.50 0.00 0.00 62.75 59.73 3gtj n ILE 30 Cb 0.48 0.16 -0.10 0.00 0.54 0.00 0.00 39.64 40.72 3gtj n ILE 30 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 3gtj s SER 31 N -4.05 3.52 -0.24 9.51 1.04 -1.23 -4.92 113.70 117.34 3gtj s SER 31 Ca -0.06 -1.17 0.14 0.00 0.48 0.00 0.00 55.95 55.34 3gtj s SER 31 Cb 0.12 -0.31 0.72 0.00 0.10 0.00 0.00 66.02 66.66 3gtj s SER 31 CO 0.79 -0.20 1.66 1.33 0.98 0.00 0.00 173.24 177.81 3gtj n VAL 32 N -0.73 2.66 -4.74 5.02 0.24 -0.97 -4.95 118.33 114.87 3gtj n VAL 32 Ca -0.05 -1.63 -0.25 0.00 -2.04 0.00 0.00 64.34 60.37 3gtj n VAL 32 Cb 0.63 -0.29 -0.16 0.00 -1.47 0.00 0.00 33.84 32.55 3gtj n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gtj s ALA 33 N -2.85 1.39 -0.08 2.33 0.00 -1.26 -4.62 121.76 116.67 3gtj s ALA 33 Ca 0.51 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.62 3gtj s ALA 33 Cb 0.40 -0.48 -0.29 0.00 0.00 0.00 0.00 23.12 22.75 3gtj s ALA 33 CO 0.13 0.24 0.87 0.87 0.00 0.00 0.00 175.76 177.87 3gtj h LYS 34 N 6.34 0.20 -3.80 0.00 1.57 -1.93 -3.23 116.57 115.72 3gtj h LYS 34 Ca -0.32 -0.32 -0.13 0.00 -1.87 0.00 0.00 60.65 58.01 3gtj h LYS 34 Cb 1.18 0.12 0.08 0.00 0.08 0.00 0.00 32.23 33.68 3gtj h LYS 34 CO 0.48 1.14 -0.35 -0.89 -0.57 0.00 0.00 179.45 179.26 3gtj n ILE 35 N -4.31 -3.48 -0.09 1.86 2.08 -1.26 -4.59 119.36 109.57 3gtj n ILE 35 Ca -0.12 -0.38 -0.16 0.00 0.56 0.00 0.00 62.75 62.64 3gtj n ILE 35 Cb 0.69 -4.01 -0.09 0.00 -0.75 0.00 0.00 39.64 35.48 3gtj n ILE 35 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3gtj h ARG 36 N -0.67 0.00 -5.91 0.38 3.08 -1.89 -3.45 114.38 105.92 3gtj h ARG 36 Ca -0.26 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.18 3gtj h ARG 36 Cb 1.14 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 3gtj h ARG 36 CO 0.21 0.75 -0.22 -0.06 -1.07 0.00 0.00 179.97 179.57 3gtj s PHE 37 N -2.28 3.67 -2.09 3.04 0.40 -1.18 -4.99 117.98 114.55 3gtj s PHE 37 Ca -0.23 0.92 0.16 0.00 -0.60 0.00 0.00 56.93 57.17 3gtj s PHE 37 Cb 0.04 -2.31 0.47 0.00 0.51 0.00 0.00 43.02 41.73 3gtj s PHE 37 CO 0.50 0.55 1.38 -0.35 0.70 0.00 0.00 175.22 178.00 3gtj n PRO 38 N 2.23 2.00 -1.42 0.24 -0.05 -1.26 -3.11 135.00 133.64 3gtj n PRO 38 Ca -0.13 -1.55 -0.30 0.00 -0.05 0.00 0.00 63.50 61.47 3gtj n PRO 38 Cb 0.52 -1.37 0.22 0.00 -0.05 0.00 0.00 33.50 32.83 3gtj n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 3gtj s GLU 39 N -1.49 -0.52 -0.22 0.54 8.01 -1.26 -4.79 118.70 118.96 3gtj s GLU 39 Ca 0.31 -0.22 -0.16 0.00 0.01 0.00 0.00 54.97 54.91 3gtj s GLU 39 Cb 0.16 -1.69 -0.10 0.00 -4.31 0.00 0.00 34.13 28.19 3gtj s GLU 39 CO 0.22 -3.22 -0.25 2.41 0.01 0.00 0.00 175.26 174.43 3gtj n THR 40 N -4.38 1.51 -3.31 3.63 -1.04 -1.26 -4.45 114.28 104.98 3gtj n THR 40 Ca 0.14 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3gtj n THR 40 Cb 0.59 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 3gtj n THR 40 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 3gtj n MET 41 N -4.39 0.00 -4.20 -2.82 0.00 -1.21 -2.34 117.12 102.16 3gtj n MET 41 Ca -0.33 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.07 3gtj n MET 41 Cb 0.67 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.80 3gtj n MET 41 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3gtj s ASP 42 N 0.28 4.59 -0.89 6.12 -1.08 -1.26 -3.54 116.67 120.89 3gtj s ASP 42 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 52.55 51.69 3gtj s ASP 42 Cb 0.00 -0.94 0.28 0.00 -1.46 0.00 0.00 42.92 40.80 3gtj s ASP 42 CO 0.00 0.17 1.16 -0.62 0.52 0.00 0.00 175.17 176.39 3gtj n GLU 43 N 0.58 3.62 -3.27 4.34 1.02 -1.26 -4.83 120.64 120.83 3gtj n GLU 43 Ca -0.12 -4.61 -0.12 0.00 -0.02 0.00 0.00 57.16 52.29 3gtj n GLU 43 Cb 0.52 -2.40 0.03 0.00 -0.02 0.00 0.00 31.44 29.57 3gtj n GLU 43 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3gtj n THR 44 N 1.16 -8.70 -3.35 2.62 -1.04 -1.26 -4.00 114.28 99.71 3gtj n THR 44 Ca 0.27 -0.72 -0.17 0.00 -2.04 0.00 0.00 64.05 61.40 3gtj n THR 44 Cb 0.36 -6.12 0.07 0.00 -1.82 0.00 0.00 70.33 62.83 3gtj n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtj n GLN 45 N -2.69 -3.64 -0.23 -2.82 6.02 -1.26 -4.96 117.38 107.78 3gtj n GLN 45 Ca -0.06 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 3gtj n GLN 45 Cb 0.57 -5.73 0.00 0.00 1.02 0.00 0.00 30.24 26.10 3gtj n GLN 45 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3gtj n THR 46 N -3.60 0.00 0.00 5.09 -1.04 -1.26 -5.02 114.28 108.46 3gtj n THR 46 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3gtj n THR 46 Cb 0.64 0.76 0.00 0.00 -1.82 0.00 0.00 70.33 69.91 3gtj n THR 46 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3gtj n ARG 47 N 0.00 0.00 0.00 -2.82 3.00 -1.26 -4.84 116.66 110.74 3gtj n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3gtj n ARG 47 Cb 0.59 -0.54 0.00 0.00 0.00 0.00 0.00 32.46 32.51 3gtj n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3gtj n ALA 48 N 0.00 0.00 0.07 7.54 0.00 -1.26 -4.56 120.51 122.30 3gtj n ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gtj n ALA 48 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3gtj n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gtj n LYS 49 N 4.07 0.00 -4.15 0.00 4.76 -1.24 -5.01 118.16 116.60 3gtj n LYS 49 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 3gtj n LYS 49 Cb 0.00 -0.17 -0.05 0.00 -1.84 0.00 0.00 35.03 32.97 3gtj n LYS 49 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3gtj s ILE 50 N -1.72 4.26 -0.31 -0.18 2.07 -0.99 -3.35 121.20 120.98 3gtj s ILE 50 Ca 0.00 -1.49 0.00 0.00 -1.41 0.00 0.00 60.65 57.75 3gtj s ILE 50 Cb 0.00 -3.29 0.00 0.00 0.13 0.00 0.00 42.46 39.30 3gtj s ILE 50 CO 0.00 -0.34 0.53 0.61 -1.91 0.00 0.00 174.94 173.83 3gtj n GLY 51 N -1.08 1.17 0.80 1.50 0.00 -1.26 -3.94 105.19 102.37 3gtj n GLY 51 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 3gtj n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtj n GLY 52 N 0.53 -0.08 0.00 -0.02 0.00 -1.26 -4.79 105.19 99.57 3gtj n GLY 52 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3gtj n GLY 52 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gtj n LEU 53 N -3.17 0.58 -2.72 0.99 0.00 -1.18 -3.13 117.00 108.36 3gtj n LEU 53 Ca -0.09 0.06 -0.27 0.00 0.00 0.00 0.00 56.01 55.71 3gtj n LEU 53 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 43.42 43.78 3gtj n LEU 53 CO 0.01 -0.19 0.16 -0.46 0.00 0.00 0.00 177.39 176.91 3gtj n ASN 54 N -1.62 4.51 0.00 1.96 6.94 -1.26 -4.71 115.26 121.08 3gtj n ASN 54 Ca 0.00 -3.68 0.00 0.00 -0.02 0.00 0.00 54.58 50.88 3gtj n ASN 54 Cb 0.00 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 36.91 3gtj n ASN 54 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3gtj n ASP 55 N -0.35 0.61 -3.42 0.53 2.03 -1.26 -4.45 116.55 110.24 3gtj n ASP 55 Ca 0.34 0.00 -0.49 0.00 0.52 0.00 0.00 54.79 55.17 3gtj n ASP 55 Cb 0.53 0.04 -0.09 0.00 -0.72 0.00 0.00 41.12 40.88 3gtj n ASP 55 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3gtj n PRO 56 N -1.06 0.00 -0.96 -0.67 -0.02 -1.26 0.12 135.00 131.14 3gtj n PRO 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gtj n PRO 56 Cb 0.07 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 3gtj n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gtj n ARG 57 N 4.88 -1.01 -2.69 -0.52 5.12 -1.26 -4.49 116.66 116.69 3gtj n ARG 57 Ca 0.36 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 56.21 3gtj n ARG 57 Cb -0.04 -3.35 0.10 0.00 -1.16 0.00 0.00 32.46 28.02 3gtj n ARG 57 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3gtj n LEU 58 N -0.95 -1.05 -4.21 0.55 -0.00 0.31 -3.38 117.00 108.28 3gtj n LEU 58 Ca 0.00 -3.51 -0.33 0.00 -0.00 0.00 0.00 56.01 52.17 3gtj n LEU 58 Cb 0.04 0.13 -0.16 0.00 -0.00 0.00 0.00 43.42 43.43 3gtj n LEU 58 CO 0.00 1.81 -0.52 -0.83 -0.00 0.00 0.00 177.39 177.84 3gtj s GLY 59 N -1.69 1.40 -0.29 -3.96 0.00 0.16 -4.05 107.32 98.89 3gtj s GLY 59 Ca 0.23 -1.07 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 3gtj s GLY 59 CO -0.06 -0.03 0.57 -1.35 0.00 0.00 0.00 173.10 172.23 3gtj s SER 60 N 0.78 -1.19 0.00 1.64 1.04 -1.26 -3.86 113.70 110.85 3gtj s SER 60 Ca -0.07 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.07 3gtj s SER 60 Cb -0.16 2.01 0.00 0.00 0.10 0.00 0.00 66.02 67.98 3gtj s SER 60 CO -0.01 -0.27 0.00 -0.38 0.98 0.00 0.00 173.24 173.56 3gtj n ILE 61 N 5.42 0.00 -2.65 -1.02 2.08 -1.26 -4.96 119.36 116.97 3gtj n ILE 61 Ca -0.01 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.09 3gtj n ILE 61 Cb 0.51 -0.23 -0.00 0.00 -0.75 0.00 0.00 39.64 39.17 3gtj n ILE 61 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3gtj n ASP 62 N -0.89 3.52 -4.11 4.38 2.03 -1.26 -4.91 116.55 115.32 3gtj n ASP 62 Ca 0.00 -3.39 -0.33 0.00 0.52 0.00 0.00 54.79 51.58 3gtj n ASP 62 Cb 0.13 -0.50 -0.01 0.00 -0.72 0.00 0.00 41.12 40.01 3gtj n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3gtj n ARG 63 N -0.28 -3.78 -3.28 -0.67 3.00 -1.26 -4.94 116.66 105.44 3gtj n ARG 63 Ca 0.29 0.43 -0.43 0.00 -0.01 0.00 0.00 57.85 58.13 3gtj n ARG 63 Cb 0.66 -5.13 -0.08 0.00 0.00 0.00 0.00 32.46 27.92 3gtj n ARG 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 3gtj s ASN 64 N -3.44 6.21 0.00 0.55 0.02 -1.26 -4.94 114.94 112.08 3gtj s ASN 64 Ca 0.63 -0.73 0.09 0.00 -1.02 0.00 0.00 52.86 51.82 3gtj s ASN 64 Cb -0.33 -2.24 0.43 0.00 0.02 0.00 0.00 41.25 39.13 3gtj s ASN 64 CO 0.90 -0.65 1.21 0.18 0.02 0.00 0.00 177.10 178.76 3gtj n LEU 65 N 5.70 0.00 -0.24 0.60 7.99 -1.26 -4.23 117.00 125.56 3gtj n LEU 65 Ca -0.07 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 3gtj n LEU 65 Cb 0.47 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 3gtj n LEU 65 CO 0.48 -0.25 0.10 0.29 -1.51 0.00 0.00 177.39 176.50 3gtj n LYS 66 N -1.36 0.26 -2.39 3.23 4.76 -1.26 -3.48 118.16 117.92 3gtj n LYS 66 Ca 0.04 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.11 3gtj n LYS 66 Cb 0.08 -1.06 -0.04 0.00 -1.84 0.00 0.00 35.03 32.17 3gtj n LYS 66 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gtj n GLN 68 N 8.89 -2.63 -3.67 0.00 -0.00 -1.22 -0.35 117.38 118.40 3gtj n GLN 68 Ca 0.34 0.29 -0.25 0.00 -0.00 0.00 0.00 57.00 57.38 3gtj n GLN 68 Cb 0.50 -4.91 0.07 0.00 -0.00 0.00 0.00 30.24 25.89 3gtj n GLN 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3gtj n THR 69 N -3.57 -2.93 0.21 -0.39 -1.04 -1.26 -4.91 114.28 100.38 3gtj n THR 69 Ca 0.01 -0.03 0.05 0.00 -2.04 0.00 0.00 64.05 62.03 3gtj n THR 69 Cb 0.52 -3.76 0.45 0.00 -1.82 0.00 0.00 70.33 65.71 3gtj n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtj n GLN 71 N -4.13 0.00 0.00 0.00 6.02 -1.23 -4.88 117.38 113.17 3gtj n GLN 71 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3gtj n GLN 71 Cb 0.33 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.59 3gtj n GLN 71 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3gtj n GLU 72 N 0.00 0.00 -3.96 -1.09 -0.58 -1.26 -4.82 120.64 108.93 3gtj n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3gtj n GLU 72 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3gtj n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gtj n GLY 73 N 0.00 -0.87 0.35 0.62 0.00 -1.26 -4.90 105.19 99.13 3gtj n GLY 73 Ca 0.00 -1.18 0.14 0.00 0.00 0.00 0.00 46.02 44.98 3gtj n GLY 73 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3gtj n MET 74 N 0.00 1.24 0.00 1.61 0.00 -1.26 -3.62 117.12 115.09 3gtj n MET 74 Ca 0.00 -0.71 0.13 0.00 0.00 0.00 0.00 57.70 57.12 3gtj n MET 74 Cb 0.00 -1.49 0.42 0.00 0.00 0.00 0.00 33.22 32.16 3gtj n MET 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3gtj n ASN 75 N -0.26 0.35 0.00 3.17 5.15 -1.26 -4.49 115.26 117.92 3gtj n ASN 75 Ca 0.16 -0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 3gtj n ASN 75 Cb 0.35 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 3gtj n ASN 75 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3gtj n GLU 76 N -1.41 0.00 -1.46 1.20 4.07 -1.25 -5.03 120.64 116.77 3gtj n GLU 76 Ca 0.07 0.00 -0.61 0.00 -0.06 0.00 0.00 57.16 56.56 3gtj n GLU 76 Cb 0.33 -0.98 -0.10 0.00 -0.06 0.00 0.00 31.44 30.63 3gtj n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gtj n PRO 78 N 6.38 0.00 -3.59 0.00 -0.02 -1.26 -4.92 135.00 131.59 3gtj n PRO 78 Ca 0.44 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3gtj n PRO 78 Cb -0.00 -0.87 -0.04 0.00 -0.02 0.00 0.00 33.50 32.57 3gtj n PRO 78 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3gtj s GLY 79 N -0.03 -0.75 -0.47 -1.23 0.00 -1.26 -5.03 107.32 98.55 3gtj s GLY 79 Ca 0.00 2.31 -0.16 0.00 0.00 0.00 0.00 44.72 46.88 3gtj s GLY 79 CO 0.00 3.11 0.40 0.30 0.00 0.00 0.00 173.10 176.90 3gtj s HIS 80 N 2.89 3.23 0.48 1.90 3.76 -1.26 -5.05 115.29 121.24 3gtj s HIS 80 Ca -0.03 -0.87 -0.13 0.00 -0.15 0.00 0.00 55.06 53.88 3gtj s HIS 80 Cb -0.12 -3.12 -0.07 0.00 1.11 0.00 0.00 32.58 30.38 3gtj s HIS 80 CO -0.19 -0.78 0.89 -0.06 -0.85 0.00 0.00 174.74 173.75 3gtj s PHE 81 N 1.70 3.48 0.45 1.40 0.40 -1.26 -4.01 117.98 120.13 3gtj s PHE 81 Ca 0.05 1.26 0.03 0.00 -0.60 0.00 0.00 56.93 57.67 3gtj s PHE 81 Cb -0.23 -2.63 -0.02 0.00 0.51 0.00 0.00 43.02 40.65 3gtj s PHE 81 CO 0.07 -0.28 0.09 0.20 0.70 0.00 0.00 175.22 176.00 3gtj s GLY 82 N -3.22 2.78 -0.04 4.36 0.00 0.30 -2.30 107.32 109.20 3gtj s GLY 82 Ca 0.55 -0.90 -0.07 0.00 0.00 0.00 0.00 44.72 44.30 3gtj s GLY 82 CO 0.33 -1.96 0.16 -2.38 0.00 0.00 0.00 173.10 169.26 3gtj s HIS 83 N -3.09 -0.10 -0.20 1.90 -3.43 -1.22 -0.18 115.29 108.97 3gtj s HIS 83 Ca 0.17 0.24 -0.02 0.00 -0.80 0.00 0.00 55.06 54.65 3gtj s HIS 83 Cb 0.02 0.02 -0.00 0.00 -1.43 0.00 0.00 32.58 31.19 3gtj s HIS 83 CO 0.11 -0.17 -0.09 -1.50 -2.00 0.00 0.00 174.74 171.08 3gtj s ILE 84 N -0.49 3.02 -0.39 -5.38 -1.16 0.14 -4.30 121.20 112.65 3gtj s ILE 84 Ca -0.06 -0.62 -0.29 0.00 -0.51 0.00 0.00 60.65 59.18 3gtj s ILE 84 Cb -0.04 -2.34 -0.00 0.00 0.61 0.00 0.00 42.46 40.69 3gtj s ILE 84 CO 0.01 0.46 1.58 -1.81 -2.81 0.00 0.00 174.94 172.37 3gtj s ASP 85 N 1.31 6.13 0.16 4.50 1.01 -1.26 -3.05 116.67 125.48 3gtj s ASP 85 Ca 0.04 0.99 -0.25 0.00 0.71 0.00 0.00 52.55 54.04 3gtj s ASP 85 Cb -0.14 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.18 3gtj s ASP 85 CO -0.05 -1.57 0.76 -0.76 0.21 0.00 0.00 175.17 173.77 3gtj s LEU 86 N 6.10 4.59 -0.01 1.23 1.43 -1.21 -5.03 118.68 125.78 3gtj s LEU 86 Ca 0.69 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 3gtj s LEU 86 Cb -0.17 -3.28 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 3gtj s LEU 86 CO 0.33 0.21 0.69 0.00 0.23 0.00 0.00 176.35 177.81 3gtj h ALA 87 N 4.31 -0.64 -4.13 4.21 0.00 -1.89 -3.45 119.26 117.67 3gtj h ALA 87 Ca -0.47 -0.08 -0.69 0.00 0.00 0.00 0.00 54.91 53.66 3gtj h ALA 87 Cb 1.21 0.15 -0.28 0.00 0.00 0.00 0.00 17.79 18.87 3gtj h ALA 87 CO 0.66 -0.61 -0.84 0.15 0.00 0.00 0.00 179.25 178.61 3gtj s LYS 88 N -3.05 2.48 0.33 0.00 1.02 -1.26 -5.12 119.74 114.15 3gtj s LYS 88 Ca -0.06 -0.83 -0.25 0.00 0.02 0.00 0.00 55.97 54.86 3gtj s LYS 88 Cb 0.01 -2.24 -0.14 0.00 -0.52 0.00 0.00 37.83 34.94 3gtj s LYS 88 CO 0.17 0.49 0.65 -2.30 -0.92 0.00 0.00 175.35 173.44 3gtj n PRO 89 N 2.65 0.63 -4.04 -1.68 -0.02 -1.26 -5.03 135.00 126.25 3gtj n PRO 89 Ca -0.17 0.23 -0.12 0.00 -2.02 0.00 0.00 63.50 61.42 3gtj n PRO 89 Cb 0.52 -1.46 -0.11 0.00 -0.02 0.00 0.00 33.50 32.42 3gtj n PRO 89 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gtj s VAL 90 N -1.26 0.42 0.71 -1.45 -7.23 -0.86 -4.83 120.40 105.90 3gtj s VAL 90 Ca 0.62 -1.08 -0.12 0.00 -1.81 0.00 0.00 61.98 59.59 3gtj s VAL 90 Cb -0.70 -0.58 0.17 0.00 0.56 0.00 0.00 36.38 35.83 3gtj s VAL 90 CO 0.58 -0.45 0.67 0.49 -0.31 0.00 0.00 175.10 176.09 3gtj n PHE 91 N 1.41 -3.60 -4.14 2.82 3.72 -1.26 0.03 117.46 116.43 3gtj n PHE 91 Ca -0.22 -0.61 -0.19 0.00 -0.05 0.00 0.00 57.45 56.38 3gtj n PHE 91 Cb 0.55 -0.67 -0.16 0.00 -0.94 0.00 0.00 39.48 38.26 3gtj n PHE 91 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3gtj s HIS 92 N -2.27 0.67 0.27 1.38 5.65 -1.26 -4.50 115.29 115.23 3gtj s HIS 92 Ca 0.43 -0.17 -0.01 0.00 0.25 0.00 0.00 55.06 55.56 3gtj s HIS 92 Cb -0.04 -0.60 0.49 0.00 -1.18 0.00 0.00 32.58 31.25 3gtj s HIS 92 CO 0.32 -0.17 1.85 -0.39 -0.65 0.00 0.00 174.74 175.70 3gtj h VAL 93 N 6.12 0.97 -0.01 0.89 -1.51 -1.90 -2.37 116.25 118.43 3gtj h VAL 93 Ca -0.39 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3gtj h VAL 93 Cb 1.15 -0.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 3gtj h VAL 93 CO 0.48 0.19 -0.01 0.61 -1.23 0.00 0.00 177.57 177.61 3gtj n GLY 94 N -1.35 -0.56 0.06 5.19 0.00 -1.26 -3.72 105.19 103.56 3gtj n GLY 94 Ca 0.17 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.90 3gtj n GLY 94 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gtj n PHE 95 N -0.48 0.00 -0.13 1.61 0.99 -0.92 -4.69 117.46 113.83 3gtj n PHE 95 Ca 0.21 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.58 3gtj n PHE 95 Cb 0.23 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.68 3gtj n PHE 95 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3gtj h ILE 96 N 0.30 0.19 -0.44 4.37 1.08 -1.56 0.50 117.51 121.95 3gtj h ILE 96 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 3gtj h ILE 96 Cb 0.13 0.19 -0.10 0.00 -3.07 0.00 0.00 36.82 33.97 3gtj h ILE 96 CO 0.00 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 177.14 3gtj h ALA 97 N 0.68 -0.14 -0.44 1.87 0.00 -1.83 -1.96 119.26 117.44 3gtj h ALA 97 Ca 0.17 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 3gtj h ALA 97 Cb 0.56 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3gtj h ALA 97 CO -0.56 -0.71 -0.18 0.87 0.00 0.00 0.00 179.25 178.67 3gtj h LYS 98 N -0.23 0.90 -0.79 0.00 1.57 -1.77 -2.78 116.57 113.47 3gtj h LYS 98 Ca 0.19 -0.38 0.13 0.00 -1.87 0.00 0.00 60.65 58.72 3gtj h LYS 98 Cb 0.54 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 3gtj h LYS 98 CO -0.56 1.03 0.38 0.82 -0.57 0.00 0.00 179.45 180.55 3gtj h ILE 99 N 0.74 0.73 0.22 1.86 2.04 -0.49 0.17 117.51 122.78 3gtj h ILE 99 Ca 0.10 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3gtj h ILE 99 Cb 0.75 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3gtj h ILE 99 CO 0.06 0.10 -0.26 0.50 0.00 0.00 0.00 178.15 178.55 3gtj h LYS 100 N 0.57 -0.51 -0.01 2.37 3.64 -1.22 -1.23 116.57 120.17 3gtj h LYS 100 Ca 0.43 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.82 3gtj h LYS 100 Cb 0.59 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3gtj h LYS 100 CO -0.35 -0.34 -0.10 0.87 -2.27 0.00 0.00 179.45 177.25 3gtj h LYS 101 N -0.53 0.01 0.10 1.90 1.57 -0.97 -2.72 116.57 115.93 3gtj h LYS 101 Ca 0.00 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 3gtj h LYS 101 Cb 0.51 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.84 3gtj h LYS 101 CO -0.08 0.11 -0.93 0.28 -0.57 0.00 0.00 179.45 178.25 3gtj h VAL 102 N 0.01 1.40 -0.15 0.50 2.07 -0.63 -3.28 116.25 116.18 3gtj h VAL 102 Ca 0.00 -2.40 0.04 0.00 0.82 0.00 0.00 66.70 65.17 3gtj h VAL 102 Cb 0.18 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 3gtj h VAL 102 CO 0.01 0.70 0.14 0.00 0.02 0.00 0.00 177.57 178.45 3gtj n GLU 104 N -3.97 1.63 0.00 0.00 1.02 -1.05 -3.61 120.64 114.66 3gtj n GLU 104 Ca 0.01 -1.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.13 3gtj n GLU 104 Cb 0.26 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3gtj n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtj s VAL 106 N 0.00 1.27 0.97 0.00 1.01 -1.22 -3.14 120.40 119.29 3gtj s VAL 106 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 3gtj s VAL 106 Cb 0.00 -1.08 0.17 0.00 0.00 0.00 0.00 36.38 35.47 3gtj s VAL 106 CO 0.00 0.24 1.10 0.00 0.00 0.00 0.00 175.10 176.45 3gtj n MET 108 N -4.07 0.56 -0.05 0.00 2.81 -1.26 -3.52 117.12 111.59 3gtj n MET 108 Ca 0.06 0.19 0.11 0.00 -1.81 0.00 0.00 57.70 56.24 3gtj n MET 108 Cb 0.58 -1.43 0.45 0.00 -0.71 0.00 0.00 33.22 32.10 3gtj n MET 108 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3gtj n HIS 109 N -3.68 0.14 0.00 2.03 8.25 -1.26 -4.27 115.22 116.43 3gtj n HIS 109 Ca -0.46 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 56.93 3gtj n HIS 109 Cb 0.90 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.01 3gtj n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtj n GLY 111 N 0.35 -0.91 3.32 0.00 0.00 -1.23 -4.96 105.19 101.76 3gtj n GLY 111 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 3gtj n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtj s LYS 112 N -2.62 1.08 0.71 1.61 2.20 -1.26 -4.42 119.74 117.03 3gtj s LYS 112 Ca 0.05 -1.01 -0.16 0.00 -0.36 0.00 0.00 55.97 54.49 3gtj s LYS 112 Cb -0.01 0.40 0.03 0.00 -1.51 0.00 0.00 37.83 36.73 3gtj s LYS 112 CO 0.43 -0.39 1.22 -0.51 -0.36 0.00 0.00 175.35 175.74 3gtj s LEU 113 N -2.90 3.37 0.07 5.43 1.43 -1.26 -2.32 118.68 122.49 3gtj s LEU 113 Ca 0.11 2.39 -0.15 0.00 -1.03 0.00 0.00 54.13 55.45 3gtj s LEU 113 Cb 0.03 -4.59 -0.23 0.00 0.03 0.00 0.00 46.19 41.43 3gtj s LEU 113 CO -0.05 -2.19 1.18 -0.07 0.23 0.00 0.00 176.35 175.45 3gtj h LEU 114 N -0.12 0.88 -8.92 1.79 3.38 -1.91 -3.47 115.31 106.94 3gtj h LEU 114 Ca -0.48 -0.74 -0.68 0.00 0.09 0.00 0.00 57.88 56.07 3gtj h LEU 114 Cb 1.30 -0.27 -0.22 0.00 0.09 0.00 0.00 40.66 41.56 3gtj h LEU 114 CO 0.50 1.51 -0.73 -0.76 0.09 0.00 0.00 178.44 179.05 3gtj s LEU 115 N -8.14 2.94 0.40 1.67 1.43 -1.26 -4.98 118.68 110.74 3gtj s LEU 115 Ca -0.10 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 3gtj s LEU 115 Cb 0.07 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3gtj s LEU 115 CO 0.91 0.30 0.09 -1.81 0.23 0.00 0.00 176.35 176.08 3gtj s ASP 116 N -0.47 2.83 1.48 2.29 -0.00 -1.26 -5.06 116.67 116.48 3gtj s ASP 116 Ca 0.06 -1.59 0.00 0.00 -0.00 0.00 0.00 52.55 51.03 3gtj s ASP 116 Cb -0.12 0.33 0.00 0.00 -0.00 0.00 0.00 42.92 43.13 3gtj s ASP 116 CO 0.02 -0.83 0.00 -0.62 -0.00 0.00 0.00 175.17 173.74 3gtj n GLU 117 N -0.89 0.00 -0.09 8.23 4.71 -1.26 -3.58 120.64 127.76 3gtj n GLU 117 Ca -0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 56.98 3gtj n GLU 117 Cb 0.66 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.98 3gtj n GLU 117 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 3gtj n HIS 118 N 14.00 0.00 -2.88 -0.32 1.44 -1.26 -4.68 115.22 121.51 3gtj n HIS 118 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 3gtj n HIS 118 Cb 0.00 -0.79 -0.02 0.00 0.12 0.00 0.00 29.99 29.30 3gtj n HIS 118 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 3gtj n ASN 119 N -2.84 -1.14 -1.35 4.39 5.03 -1.23 -1.33 115.26 116.78 3gtj n ASN 119 Ca -0.31 0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.21 3gtj n ASN 119 Cb 0.95 -1.09 0.00 0.00 -1.02 0.00 0.00 39.78 38.63 3gtj n ASN 119 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gtj n GLU 120 N -2.74 -0.34 -2.61 3.52 -0.58 -1.26 -4.25 120.64 112.38 3gtj n GLU 120 Ca 0.03 0.25 -0.08 0.00 -0.42 0.00 0.00 57.16 56.94 3gtj n GLU 120 Cb 0.46 -0.74 -0.01 0.00 -0.57 0.00 0.00 31.44 30.59 3gtj n GLU 120 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 3gtj n LEU 121 N -0.04 -0.58 0.00 -4.62 -0.00 -1.26 -4.67 117.00 105.82 3gtj n LEU 121 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 56.01 56.27 3gtj n LEU 121 Cb 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 43.42 41.88 3gtj n LEU 121 CO 0.00 -0.03 -0.25 0.80 -0.00 0.00 0.00 177.39 177.91 3gtj n MET 122 N -2.76 1.14 0.00 1.47 0.00 -1.22 -4.51 117.12 111.25 3gtj n MET 122 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.68 3gtj n MET 122 Cb 0.54 -0.75 0.15 0.00 0.00 0.00 0.00 33.22 33.16 3gtj n MET 122 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 3gtj n ARG 123 N -1.57 0.01 0.10 2.12 -4.01 -0.44 -2.09 116.66 110.78 3gtj n ARG 123 Ca 0.00 0.36 0.06 0.00 -1.04 0.00 0.00 57.85 57.24 3gtj n ARG 123 Cb 0.25 -1.50 -0.01 0.00 -3.04 0.00 0.00 32.46 28.16 3gtj n ARG 123 CO 0.00 0.00 0.00 1.96 -3.04 0.00 0.00 177.63 176.55 3gtj h GLN 124 N 0.00 0.00 0.00 2.89 4.20 -1.86 -3.38 115.11 116.96 3gtj h GLN 124 Ca 0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 3gtj h GLN 124 Cb 0.11 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 3gtj h GLN 124 CO 0.00 0.16 -1.62 0.00 -0.67 0.00 0.00 178.83 176.70 3gtj n ALA 125 N -2.25 0.92 0.00 3.87 0.00 -1.04 -4.39 120.51 117.61 3gtj n ALA 125 Ca -0.03 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3gtj n ALA 125 Cb 0.67 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3gtj n ALA 125 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gtj n LEU 126 N -4.39 0.00 0.00 0.00 4.77 -0.89 -2.02 117.00 114.47 3gtj n LEU 126 Ca -0.35 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3gtj n LEU 126 Cb 0.68 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3gtj n LEU 126 CO 0.12 0.00 0.06 0.00 -1.33 0.00 0.00 177.39 176.23 3gtj n ALA 127 N -0.89 1.22 -1.76 -1.18 0.00 -1.26 -5.01 120.51 111.63 3gtj n ALA 127 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 3gtj n ALA 127 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3gtj n ALA 127 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3gtj s ILE 128 N -0.33 3.85 1.13 0.00 2.07 -0.86 -5.07 121.20 121.99 3gtj s ILE 128 Ca 0.00 1.73 -0.16 0.00 -1.41 0.00 0.00 60.65 60.81 3gtj s ILE 128 Cb 0.00 -4.05 0.25 0.00 0.13 0.00 0.00 42.46 38.79 3gtj s ILE 128 CO 0.00 0.31 1.09 -0.54 -1.91 0.00 0.00 174.94 173.90 3gtj s LYS 129 N -1.62 -0.63 -0.07 3.50 1.02 -1.26 -4.77 119.74 115.91 3gtj s LYS 129 Ca 0.46 0.21 -0.02 0.00 0.02 0.00 0.00 55.97 56.64 3gtj s LYS 129 Cb -0.26 -1.64 0.01 0.00 -0.52 0.00 0.00 37.83 35.42 3gtj s LYS 129 CO 0.33 -3.38 0.05 -0.25 -0.92 0.00 0.00 175.35 171.18 3gtj n ASP 130 N -4.58 -2.25 0.20 2.83 9.92 -1.26 -4.47 116.55 116.94 3gtj n ASP 130 Ca 0.09 0.40 0.18 0.00 -0.53 0.00 0.00 54.79 54.92 3gtj n ASP 130 Cb 0.58 -2.24 0.73 0.00 -0.64 0.00 0.00 41.12 39.56 3gtj n ASP 130 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3gtj h SER 131 N 1.08 0.00 0.71 -2.24 0.02 -1.94 -1.36 113.55 109.81 3gtj h SER 131 Ca -0.11 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.59 3gtj h SER 131 Cb 0.25 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 3gtj h SER 131 CO 0.01 0.00 -1.41 0.50 -1.14 0.00 0.00 176.83 174.79 3gtj h LYS 132 N 0.00 0.00 0.00 3.45 3.64 -1.93 -3.31 116.57 118.42 3gtj h LYS 132 Ca 0.11 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.31 3gtj h LYS 132 Cb 1.01 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 3gtj h LYS 132 CO -0.00 0.64 -1.84 1.63 -2.27 0.00 0.00 179.45 177.61 3gtj n LYS 133 N -3.14 0.65 0.05 1.90 4.01 -0.59 -3.33 118.16 117.72 3gtj n LYS 133 Ca -0.10 0.05 -0.11 0.00 -0.51 0.00 0.00 58.31 57.64 3gtj n LYS 133 Cb 0.99 -1.65 -0.04 0.00 -0.51 0.00 0.00 35.03 33.81 3gtj n LYS 133 CO 0.00 0.00 0.00 -0.09 -1.11 0.00 0.00 177.40 176.20 3gtj h ARG 134 N 0.00 -0.37 -0.65 1.97 2.43 -1.52 -1.71 114.38 114.54 3gtj h ARG 134 Ca -0.24 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 3gtj h ARG 134 Cb 1.63 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 31.24 3gtj h ARG 134 CO 0.03 -0.25 0.36 0.35 -1.51 0.00 0.00 179.97 178.95 3gtj h PHE 135 N -0.39 0.86 0.00 2.20 3.57 -1.73 -2.54 116.94 118.91 3gtj h PHE 135 Ca 0.07 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3gtj h PHE 135 Cb 0.48 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3gtj h PHE 135 CO -0.30 0.60 0.06 0.00 -2.23 0.00 0.00 178.31 176.44 3gtj h ALA 136 N 1.50 1.06 0.00 2.41 0.00 -1.32 -2.95 119.26 119.96 3gtj h ALA 136 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3gtj h ALA 136 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3gtj h ALA 136 CO -0.04 -0.06 -1.07 0.00 0.00 0.00 0.00 179.25 178.08 3gtj n ALA 137 N -1.99 1.04 -0.31 0.00 0.00 -1.05 -4.63 120.51 113.58 3gtj n ALA 137 Ca -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 53.44 52.60 3gtj n ALA 137 Cb 0.12 0.05 0.01 0.00 0.00 0.00 0.00 19.45 19.63 3gtj n ALA 137 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3gtj n ILE 138 N -4.38 -0.45 -0.15 0.00 5.41 -0.97 0.94 119.36 119.77 3gtj n ILE 138 Ca -0.16 1.88 -0.03 0.00 1.00 0.00 0.00 62.75 65.43 3gtj n ILE 138 Cb 0.52 -2.44 0.05 0.00 -0.71 0.00 0.00 39.64 37.06 3gtj n ILE 138 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 3gtj h TRP 139 N 0.00 0.03 -0.10 1.39 7.01 -1.84 -1.13 115.95 121.30 3gtj h TRP 139 Ca 0.24 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.31 3gtj h TRP 139 Cb 0.44 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.56 3gtj h TRP 139 CO -0.72 -0.07 0.16 1.15 -2.79 0.00 0.00 178.44 176.16 3gtj h THR 140 N 0.15 0.32 -0.51 2.65 2.02 0.31 0.11 112.91 117.96 3gtj h THR 140 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.41 3gtj h THR 140 Cb 0.34 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3gtj h THR 140 CO -0.36 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.71 3gtj n LEU 141 N -3.55 2.95 0.00 2.58 4.77 -0.44 -4.17 117.00 119.14 3gtj n LEU 141 Ca -0.00 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 3gtj n LEU 141 Cb 0.25 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3gtj n LEU 141 CO 0.24 0.72 0.03 0.00 -1.33 0.00 0.00 177.39 177.04 3gtj n LYS 143 N -0.05 0.03 -0.11 0.00 2.85 -0.32 -3.80 118.16 116.77 3gtj n LYS 143 Ca 0.00 -0.01 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 3gtj n LYS 143 Cb 0.14 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 32.90 3gtj n LYS 143 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3gtj n THR 144 N -1.48 1.55 -1.54 0.58 -1.04 -1.26 -4.90 114.28 106.19 3gtj n THR 144 Ca 0.07 -0.53 -0.40 0.00 -2.04 0.00 0.00 64.05 61.15 3gtj n THR 144 Cb 0.33 -1.58 -0.05 0.00 -1.82 0.00 0.00 70.33 67.22 3gtj n THR 144 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3gtj n LYS 145 N -3.51 1.17 0.00 -2.82 4.76 -1.25 -4.78 118.16 111.73 3gtj n LYS 145 Ca -0.44 0.17 0.11 0.00 -2.87 0.00 0.00 58.31 55.28 3gtj n LYS 145 Cb 0.97 -3.08 0.02 0.00 -1.84 0.00 0.00 35.03 31.10 3gtj n LYS 145 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3gtj n MET 146 N 8.80 1.49 -4.15 1.97 2.81 -1.26 -4.87 117.12 121.90 3gtj n MET 146 Ca 0.39 -1.23 -0.30 0.00 -1.81 0.00 0.00 57.70 54.74 3gtj n MET 146 Cb 0.43 -1.47 -0.08 0.00 -0.71 0.00 0.00 33.22 31.39 3gtj n MET 146 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3gtj s VAL 147 N -2.35 3.90 0.25 2.03 -7.23 -1.26 0.35 120.40 116.09 3gtj s VAL 147 Ca 0.21 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.43 3gtj s VAL 147 Cb 0.18 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 3gtj s VAL 147 CO 0.50 0.13 1.58 0.00 -0.31 0.00 0.00 175.10 177.00 3gtj n GLU 149 N -3.81 -2.17 -0.05 0.00 1.02 -1.26 -4.85 120.64 109.52 3gtj n GLU 149 Ca -0.02 1.59 -0.05 0.00 -0.02 0.00 0.00 57.16 58.67 3gtj n GLU 149 Cb 0.63 -1.77 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 3gtj n GLU 149 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3gtj n THR 150 N -0.51 0.96 -4.07 2.62 -2.24 -1.26 -4.20 114.28 105.58 3gtj n THR 150 Ca 0.00 0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.94 3gtj n THR 150 Cb 0.00 -2.07 -0.12 0.00 -2.10 0.00 0.00 70.33 66.04 3gtj n THR 150 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3gtj s ASP 151 N -5.12 0.76 -0.06 3.42 3.84 -1.26 -4.63 116.67 113.62 3gtj s ASP 151 Ca -0.15 -0.47 0.01 0.00 -0.00 0.00 0.00 52.55 51.94 3gtj s ASP 151 Cb 0.02 0.02 0.02 0.00 -1.38 0.00 0.00 42.92 41.61 3gtj s ASP 151 CO 0.22 -0.17 -0.06 0.54 -0.00 0.00 0.00 175.17 175.70 3gtj s VAL 152 N -1.18 0.72 0.09 2.11 0.11 -1.25 -5.03 120.40 115.96 3gtj s VAL 152 Ca -0.09 -0.19 -0.27 0.00 -2.93 0.00 0.00 61.98 58.51 3gtj s VAL 152 Cb -0.09 -0.74 -0.15 0.00 -1.53 0.00 0.00 36.38 33.88 3gtj s VAL 152 CO 0.00 0.28 0.61 -2.65 -3.33 0.00 0.00 175.10 170.02 3gtj n PRO 153 N 4.31 0.00 0.00 1.54 -0.02 -1.26 -4.46 135.00 135.11 3gtj n PRO 153 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 3gtj n PRO 153 Cb 0.51 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 3gtj n PRO 153 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gtj n SER 154 N 1.43 0.00 0.00 2.55 3.41 -1.26 -4.92 113.62 114.83 3gtj n SER 154 Ca 0.15 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3gtj n SER 154 Cb 0.14 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3gtj n SER 154 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3gtj n GLU 155 N -0.90 0.00 0.00 4.33 4.07 -1.26 -5.09 120.64 121.79 3gtj n GLU 155 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3gtj n GLU 155 Cb 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.39 3gtj n GLU 155 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gtj n GLN 160 N -1.21 0.00 0.00 5.31 0.00 -1.26 -5.24 117.38 114.98 3gtj n GLN 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3gtj n GLN 160 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3gtj n GLN 160 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3gtj n LEU 161 N 0.00 0.00 0.00 2.61 -0.00 -1.26 -4.91 117.00 113.43 3gtj n LEU 161 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3gtj n LEU 161 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3gtj n LEU 161 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.39 178.72 3gtj n VAL 162 N -0.15 0.00 0.03 1.96 0.24 -1.26 -4.93 118.33 114.22 3gtj n VAL 162 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3gtj n VAL 162 Cb 0.00 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 3gtj n VAL 162 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3gtj n SER 163 N -1.17 -0.04 0.00 -1.34 2.88 -1.26 -3.88 113.62 108.81 3gtj n SER 163 Ca 0.00 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 3gtj n SER 163 Cb 0.00 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 3gtj n SER 163 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gtj n ARG 164 N -2.69 0.00 -2.17 -1.46 3.00 -1.26 -4.77 116.66 107.31 3gtj n ARG 164 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.44 3gtj n ARG 164 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 3gtj n ARG 164 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3gtj s GLY 165 N -1.19 3.00 -0.10 -0.13 0.00 -1.26 -5.03 107.32 102.61 3gtj s GLY 165 Ca 0.00 1.20 -0.32 0.00 0.00 0.00 0.00 44.72 45.59 3gtj s GLY 165 CO 0.00 1.83 1.10 -0.32 0.00 0.00 0.00 173.10 175.71 3gtj s GLY 166 N -0.59 -0.35 0.01 0.20 0.00 -1.26 -4.94 107.32 100.39 3gtj s GLY 166 Ca 0.49 1.26 -0.00 0.00 0.00 0.00 0.00 44.72 46.47 3gtj s GLY 166 CO 0.50 0.41 -0.00 0.00 0.00 0.00 0.00 173.10 174.01 3gtj n GLY 168 N 3.49 3.60 3.15 0.00 0.00 -1.26 -5.01 105.19 109.16 3gtj n GLY 168 Ca -0.00 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 3gtj n GLY 168 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gtj n ASN 169 N 0.00 -3.62 -4.81 1.61 5.15 -1.26 -4.53 115.26 107.80 3gtj n ASN 169 Ca 0.00 -0.65 -0.22 0.00 -0.60 0.00 0.00 54.58 53.10 3gtj n ASN 169 Cb 0.00 -0.92 -0.05 0.00 -0.53 0.00 0.00 39.78 38.28 3gtj n ASN 169 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3gtj s THR 170 N -2.11 4.39 -0.16 -0.44 -4.23 -1.26 -1.87 115.64 109.96 3gtj s THR 170 Ca 0.55 -1.41 -0.09 0.00 -1.18 0.00 0.00 61.69 59.56 3gtj s THR 170 Cb -0.10 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 3gtj s THR 170 CO 0.47 -0.33 0.14 -1.58 -0.54 0.00 0.00 174.62 172.78 3gtj s GLN 171 N -3.77 3.81 0.64 3.99 0.74 0.16 -4.81 119.66 120.41 3gtj s GLN 171 Ca 0.33 -0.17 -0.12 0.00 0.05 0.00 0.00 55.36 55.45 3gtj s GLN 171 Cb -0.08 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 3gtj s GLN 171 CO 0.24 0.54 1.04 -1.25 -0.55 0.00 0.00 175.29 175.32 3gtj s PRO 172 N -0.35 3.31 -0.80 1.67 0.04 -1.26 -4.72 135.00 132.89 3gtj s PRO 172 Ca 0.12 0.92 -0.22 0.00 0.04 0.00 0.00 61.00 61.85 3gtj s PRO 172 Cb -0.12 -2.04 0.08 0.00 0.04 0.00 0.00 34.50 32.46 3gtj s PRO 172 CO 0.01 -0.80 1.14 0.99 0.04 0.00 0.00 177.00 178.38 3gtj s THR 173 N -2.97 4.25 0.17 1.26 2.01 0.16 -4.66 115.64 115.87 3gtj s THR 173 Ca 0.58 -0.61 -0.26 0.00 0.31 0.00 0.00 61.69 61.71 3gtj s THR 173 Cb -0.13 -4.81 -0.08 0.00 0.01 0.00 0.00 72.50 67.49 3gtj s THR 173 CO 0.50 -1.62 0.80 -0.63 -0.69 0.00 0.00 174.62 172.98 3gtj s ILE 174 N 4.16 4.34 -0.02 1.82 1.01 -1.26 -2.52 121.20 128.74 3gtj s ILE 174 Ca 0.31 1.77 -0.12 0.00 0.00 0.00 0.00 60.65 62.61 3gtj s ILE 174 Cb -0.09 -4.17 0.02 0.00 0.01 0.00 0.00 42.46 38.22 3gtj s ILE 174 CO 0.02 0.51 0.25 -0.60 0.00 0.00 0.00 174.94 175.12 3gtj s ARG 175 N -1.07 0.58 0.05 2.79 3.52 0.76 -4.99 118.95 120.59 3gtj s ARG 175 Ca 0.37 -0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 55.46 3gtj s ARG 175 Cb -0.23 0.25 -0.05 0.00 -1.56 0.00 0.00 34.95 33.36 3gtj s ARG 175 CO 0.27 -0.15 1.08 0.21 -0.81 0.00 0.00 175.30 175.90 3gtj s LYS 176 N -1.21 4.52 -0.36 5.12 2.20 -1.26 -1.52 119.74 127.23 3gtj s LYS 176 Ca -0.13 1.60 0.01 0.00 -0.36 0.00 0.00 55.97 57.09 3gtj s LYS 176 Cb -0.06 -3.39 0.15 0.00 -1.51 0.00 0.00 37.83 33.02 3gtj s LYS 176 CO 0.03 -0.11 0.27 0.34 -0.36 0.00 0.00 175.35 175.53 3gtj s ASP 177 N 0.85 2.29 0.44 1.43 2.15 -0.99 -4.94 116.67 117.90 3gtj s ASP 177 Ca 0.54 -2.06 0.00 0.00 0.43 0.00 0.00 52.55 51.46 3gtj s ASP 177 Cb -0.26 -0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.28 3gtj s ASP 177 CO 0.29 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 3gtj n GLY 178 N 4.01 1.13 0.00 2.66 0.00 -1.26 -2.20 105.19 109.54 3gtj n GLY 178 Ca 0.13 0.31 0.03 0.00 0.00 0.00 0.00 46.02 46.49 3gtj n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtj n LEU 179 N 0.00 0.06 -4.95 0.99 4.77 -1.26 -5.04 117.00 111.57 3gtj n LEU 179 Ca 0.00 -0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.67 3gtj n LEU 179 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3gtj n LEU 179 CO 0.00 0.01 0.01 -0.54 -1.33 0.00 0.00 177.39 175.54 3gtj s LYS 180 N -2.21 3.06 -0.06 3.23 3.01 -0.93 -4.93 119.74 120.92 3gtj s LYS 180 Ca -0.01 -1.05 0.05 0.00 -1.01 0.00 0.00 55.97 53.95 3gtj s LYS 180 Cb 0.04 -2.74 -0.01 0.00 -1.01 0.00 0.00 37.83 34.11 3gtj s LYS 180 CO 0.24 0.13 -0.22 -0.51 0.51 0.00 0.00 175.35 175.50 3gtj s LEU 181 N -4.09 2.01 -0.10 3.17 1.43 -1.26 -2.36 118.68 117.48 3gtj s LEU 181 Ca 0.42 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3gtj s LEU 181 Cb -0.09 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 3gtj s LEU 181 CO 0.30 0.20 0.01 -0.69 0.23 0.00 0.00 176.35 176.40 3gtj s VAL 182 N -0.05 4.36 0.12 -1.59 1.01 -0.58 -1.67 120.40 122.00 3gtj s VAL 182 Ca -0.05 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.79 3gtj s VAL 182 Cb -0.13 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3gtj s VAL 182 CO 0.04 0.58 -0.20 -0.83 0.00 0.00 0.00 175.10 174.69 3gtj s GLY 183 N -0.66 1.26 -0.13 4.51 0.00 -0.92 -0.17 107.32 111.21 3gtj s GLY 183 Ca 0.11 -1.30 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 3gtj s GLY 183 CO 0.02 -1.32 0.08 -0.45 0.00 0.00 0.00 173.10 171.43 3gtj s SER 184 N -2.12 1.98 0.00 1.64 0.15 -1.05 -2.55 113.70 111.74 3gtj s SER 184 Ca 0.09 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.33 3gtj s SER 184 Cb -0.09 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.02 3gtj s SER 184 CO 0.05 -0.32 0.00 0.79 1.20 0.00 0.00 173.24 174.96 3gtj n TRP 185 N 5.29 0.00 0.00 3.44 8.01 -1.26 0.40 117.44 133.32 3gtj n TRP 185 Ca -0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 3gtj n TRP 185 Cb 0.49 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.79 3gtj n TRP 185 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3gtj n LYS 186 N 0.00 0.00 0.00 -0.99 4.76 -1.26 -4.74 118.16 115.93 3gtj n LYS 186 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3gtj n LYS 186 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3gtj n LYS 186 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3gtj n LYS 187 N 0.00 2.90 -1.64 1.97 -0.00 -1.26 -5.00 118.16 115.13 3gtj n LYS 187 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 58.31 57.73 3gtj n LYS 187 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 34.95 3gtj n LYS 187 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3gtj n ASP 188 N 0.00 1.47 -0.45 -5.58 -0.08 -1.26 -4.77 116.55 105.89 3gtj n ASP 188 Ca 0.00 1.13 -0.01 0.00 -1.51 0.00 0.00 54.79 54.39 3gtj n ASP 188 Cb 0.00 -1.06 -0.01 0.00 2.34 0.00 0.00 41.12 42.39 3gtj n ASP 188 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3gtj n ARG 189 N 3.50 0.00 -2.17 -0.67 1.74 -1.26 -5.13 116.66 112.68 3gtj n ARG 189 Ca 0.24 -0.17 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 3gtj n ARG 189 Cb 0.10 0.13 -0.03 0.00 -1.02 0.00 0.00 32.46 31.64 3gtj n ARG 189 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gtj s ALA 190 N 0.00 3.60 0.00 7.54 0.00 -1.26 -3.70 121.76 127.93 3gtj s ALA 190 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3gtj s ALA 190 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3gtj s ALA 190 CO 0.00 -0.88 0.00 0.25 0.00 0.00 0.00 175.76 175.13 3gtj n THR 191 N 4.52 0.00 -0.03 0.00 -2.24 -1.26 -4.94 114.28 110.33 3gtj n THR 191 Ca 0.13 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.09 3gtj n THR 191 Cb 0.43 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.28 3gtj n THR 191 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gtj h GLY 192 N 0.00 0.22 0.00 3.38 0.00 -2.03 -3.43 103.07 101.21 3gtj h GLY 192 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3gtj h GLY 192 CO 0.00 0.03 0.00 2.09 0.00 0.00 0.00 176.54 178.66 3gtj n ASP 193 N -4.42 0.00 0.00 0.19 5.75 -1.26 -5.04 116.55 111.77 3gtj n ASP 193 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 3gtj n ASP 193 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3gtj n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gtj n ALA 194 N 0.00 0.00 -1.03 2.12 0.00 -1.24 -5.08 120.51 115.28 3gtj n ALA 194 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3gtj n ALA 194 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3gtj n ALA 194 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gtj n ASP 195 N 0.00 -6.12 -3.60 0.00 8.00 -1.26 -4.91 116.55 108.66 3gtj n ASP 195 Ca 0.00 0.58 -0.24 0.00 0.71 0.00 0.00 54.79 55.84 3gtj n ASP 195 Cb 0.00 -1.67 0.03 0.00 -0.02 0.00 0.00 41.12 39.46 3gtj n ASP 195 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gtj n GLU 196 N -2.58 -1.28 -3.31 -1.24 1.02 -1.26 -4.99 120.64 107.01 3gtj n GLU 196 Ca 0.00 0.71 -0.18 0.00 -0.02 0.00 0.00 57.16 57.67 3gtj n GLU 196 Cb 0.25 -3.98 -0.00 0.00 -0.02 0.00 0.00 31.44 27.69 3gtj n GLU 196 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3gtj s PRO 197 N -5.21 2.97 0.10 3.49 0.02 -1.26 -5.09 135.00 130.01 3gtj s PRO 197 Ca 0.28 -1.13 0.07 0.00 0.02 0.00 0.00 61.00 60.24 3gtj s PRO 197 Cb -0.10 -2.77 -0.04 0.00 0.02 0.00 0.00 34.50 31.61 3gtj s PRO 197 CO 0.85 -0.08 -0.11 -1.83 -0.33 0.00 0.00 177.00 175.51 3gtj s GLU 198 N -4.23 2.12 -0.44 5.54 1.03 -1.26 -5.07 118.70 116.38 3gtj s GLU 198 Ca 0.49 -1.02 0.06 0.00 0.03 0.00 0.00 54.97 54.53 3gtj s GLU 198 Cb -0.09 -2.29 0.21 0.00 -0.80 0.00 0.00 34.13 31.15 3gtj s GLU 198 CO 0.32 0.51 0.58 1.28 -1.33 0.00 0.00 175.26 176.61 3gtj n LEU 199 N 0.80 -1.42 -4.79 1.83 4.77 -1.26 -4.24 117.00 112.69 3gtj n LEU 199 Ca -0.14 -3.94 -0.39 0.00 -0.03 0.00 0.00 56.01 51.52 3gtj n LEU 199 Cb 0.52 0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 42.23 3gtj n LEU 199 CO 0.32 1.96 0.29 -0.60 -1.33 0.00 0.00 177.39 178.04 3gtj s ARG 200 N 0.03 4.27 -0.37 3.23 3.52 -1.06 -4.95 118.95 123.61 3gtj s ARG 200 Ca 0.33 0.77 -0.20 0.00 -0.13 0.00 0.00 55.73 56.49 3gtj s ARG 200 Cb 0.10 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 3gtj s ARG 200 CO -0.15 0.53 0.60 0.08 -0.81 0.00 0.00 175.30 175.55 3gtj s VAL 201 N -0.75 4.92 -0.15 7.11 1.01 -1.26 -2.16 120.40 129.12 3gtj s VAL 201 Ca 0.30 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 3gtj s VAL 201 Cb -0.19 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3gtj s VAL 201 CO 0.19 -0.34 1.63 -0.76 0.00 0.00 0.00 175.10 175.82 3gtj s LEU 202 N 2.63 4.08 0.00 3.92 1.02 -0.67 -5.01 118.68 124.65 3gtj s LEU 202 Ca 0.22 1.89 0.00 0.00 0.02 0.00 0.00 54.13 56.26 3gtj s LEU 202 Cb -0.15 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.53 3gtj s LEU 202 CO 0.15 -1.11 0.00 -0.24 0.02 0.00 0.00 176.35 175.17 3gtj n SER 203 N 7.88 -0.33 -0.06 2.29 2.88 -1.26 -4.37 113.62 120.66 3gtj n SER 203 Ca 0.18 -0.27 -0.08 0.00 -1.33 0.00 0.00 58.87 57.37 3gtj n SER 203 Cb 0.44 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.85 3gtj n SER 203 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3gtj n THR 204 N -1.25 0.66 0.24 2.46 -1.04 -1.26 -4.33 114.28 109.76 3gtj n THR 204 Ca 0.00 -0.26 0.08 0.00 -2.04 0.00 0.00 64.05 61.83 3gtj n THR 204 Cb 0.00 -0.91 0.58 0.00 -1.82 0.00 0.00 70.33 68.19 3gtj n THR 204 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3gtj h GLU 205 N 0.00 0.00 -1.01 -2.82 4.57 -1.96 -2.09 114.58 111.26 3gtj h GLU 205 Ca -0.26 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.44 3gtj h GLU 205 Cb 1.41 0.00 -0.28 0.00 -0.16 0.00 0.00 28.75 29.72 3gtj h GLU 205 CO -0.04 0.17 0.61 -1.91 -1.18 0.00 0.00 179.01 176.66 3gtj n GLU 206 N -4.07 2.16 0.04 1.92 2.13 -1.26 -3.67 120.64 117.88 3gtj n GLU 206 Ca -0.02 -2.74 0.00 0.00 0.66 0.00 0.00 57.16 55.06 3gtj n GLU 206 Cb 0.24 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 29.88 3gtj n GLU 206 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3gtj n ILE 207 N -0.96 0.34 0.13 6.31 5.41 -0.83 -4.67 119.36 125.09 3gtj n ILE 207 Ca 0.54 0.11 0.04 0.00 1.00 0.00 0.00 62.75 64.45 3gtj n ILE 207 Cb 1.49 -1.14 0.45 0.00 -0.71 0.00 0.00 39.64 39.73 3gtj n ILE 207 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 3gtj h LEU 208 N 0.00 0.21 -1.25 1.39 -0.00 -1.64 -0.75 115.31 113.27 3gtj h LEU 208 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 3gtj h LEU 208 Cb 0.34 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 3gtj h LEU 208 CO 0.00 0.29 0.31 -1.13 -0.00 0.00 0.00 178.44 177.91 3gtj h ASN 209 N 0.22 0.74 0.26 0.17 -1.24 -1.82 0.46 115.58 114.37 3gtj h ASN 209 Ca 0.05 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 3gtj h ASN 209 Cb 0.22 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.09 3gtj h ASN 209 CO 0.01 0.61 -0.13 0.40 -1.29 0.00 0.00 177.43 177.03 3gtj h ILE 210 N 0.83 0.79 -0.66 2.57 2.04 -1.46 -3.07 117.51 118.56 3gtj h ILE 210 Ca 0.21 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.67 3gtj h ILE 210 Cb 0.05 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3gtj h ILE 210 CO -0.03 0.09 0.44 -0.26 0.00 0.00 0.00 178.15 178.39 3gtj h PHE 211 N -0.59 0.76 -0.31 1.37 0.04 -1.05 -2.96 116.94 114.22 3gtj h PHE 211 Ca -0.04 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 3gtj h PHE 211 Cb 0.43 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3gtj h PHE 211 CO 0.00 0.44 0.15 -0.22 -0.60 0.00 0.00 178.31 178.08 3gtj h LYS 212 N 0.79 0.42 -0.96 1.51 3.64 0.00 -2.47 116.57 119.50 3gtj h LYS 212 Ca 0.26 -0.04 -0.64 0.00 -1.27 0.00 0.00 60.65 58.96 3gtj h LYS 212 Cb 0.07 -0.09 -0.33 0.00 -0.41 0.00 0.00 32.23 31.47 3gtj h LYS 212 CO -0.07 0.33 0.39 0.72 -2.27 0.00 0.00 179.45 178.54 3gtj n HIS 213 N -4.44 3.10 -3.30 1.91 8.25 -1.12 -4.98 115.22 114.65 3gtj n HIS 213 Ca 0.01 -2.79 -0.39 0.00 -0.26 0.00 0.00 57.72 54.29 3gtj n HIS 213 Cb 0.11 -1.12 -0.08 0.00 1.12 0.00 0.00 29.99 30.02 3gtj n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gtj s ILE 214 N -4.78 5.13 0.35 1.59 -1.09 -0.93 -4.75 121.20 116.71 3gtj s ILE 214 Ca 0.61 0.81 -0.26 0.00 -2.23 0.00 0.00 60.65 59.58 3gtj s ILE 214 Cb 0.48 -3.79 -0.13 0.00 -1.58 0.00 0.00 42.46 37.44 3gtj s ILE 214 CO -0.01 0.16 0.84 -0.24 -1.23 0.00 0.00 174.94 174.47 3gtj n SER 215 N 5.04 0.49 0.05 3.58 2.88 -1.26 -4.83 113.62 119.56 3gtj n SER 215 Ca -0.06 1.07 0.02 0.00 -1.33 0.00 0.00 58.87 58.56 3gtj n SER 215 Cb 0.50 -1.23 0.36 0.00 -0.75 0.00 0.00 64.21 63.10 3gtj n SER 215 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3gtj h VAL 216 N 1.46 1.16 0.00 2.46 2.07 -2.00 0.17 116.25 121.58 3gtj h VAL 216 Ca -0.40 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 3gtj h VAL 216 Cb 1.36 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3gtj h VAL 216 CO 0.57 0.22 -0.26 0.11 0.02 0.00 0.00 177.57 178.23 3gtj h LYS 217 N 0.41 0.00 0.00 1.57 1.57 -2.01 -3.25 116.57 114.86 3gtj h LYS 217 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3gtj h LYS 217 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3gtj h LYS 217 CO 0.01 0.26 0.00 -0.25 -0.57 0.00 0.00 179.45 178.89 3gtj n ASP 218 N -3.31 0.00 -0.02 0.86 8.00 0.59 -3.45 116.55 119.22 3gtj n ASP 218 Ca 0.01 -0.04 -0.00 0.00 0.71 0.00 0.00 54.79 55.46 3gtj n ASP 218 Cb 0.51 -0.23 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 3gtj n ASP 218 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3gtj h PHE 219 N 0.00 0.00 -0.95 1.24 0.05 -1.58 -3.37 116.94 112.33 3gtj h PHE 219 Ca 0.00 0.00 0.26 0.00 3.82 0.00 0.00 57.97 62.05 3gtj h PHE 219 Cb 0.12 0.00 -0.17 0.00 2.00 0.00 0.00 35.95 37.90 3gtj h PHE 219 CO 0.00 0.00 0.06 1.15 -0.18 0.00 0.00 178.31 179.34 3gtj h THR 220 N -0.43 0.08 -0.34 -1.55 2.02 -1.77 -0.31 112.91 110.60 3gtj h THR 220 Ca 0.00 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.22 3gtj h THR 220 Cb 0.05 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 66.42 3gtj h THR 220 CO 0.00 0.01 -0.51 0.77 0.37 0.00 0.00 175.52 176.16 3gtj h SER 221 N 0.04 -1.68 -0.50 4.18 4.64 -1.75 -2.57 113.55 115.90 3gtj h SER 221 Ca 0.58 0.23 -0.17 0.00 -0.47 0.00 0.00 61.79 61.95 3gtj h SER 221 Cb 1.19 0.69 -0.10 0.00 -0.31 0.00 0.00 62.40 63.87 3gtj h SER 221 CO -0.87 -0.41 0.22 0.00 -0.87 0.00 0.00 176.83 174.90 3gtj n LEU 222 N -5.40 4.71 -1.61 5.97 -0.00 -0.14 -4.37 117.00 116.16 3gtj n LEU 222 Ca -0.03 -2.44 -0.00 0.00 -0.00 0.00 0.00 56.01 53.53 3gtj n LEU 222 Cb 0.35 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 3gtj n LEU 222 CO 0.04 0.68 0.01 0.61 -0.00 0.00 0.00 177.39 178.73 3gtj n GLY 223 N -0.10 0.14 0.00 1.47 0.00 -0.97 -4.66 105.19 101.07 3gtj n GLY 223 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3gtj n GLY 223 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gtj n PHE 224 N -1.29 0.00 -1.99 1.61 3.01 -1.20 -4.64 117.46 112.95 3gtj n PHE 224 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3gtj n PHE 224 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 3gtj n PHE 224 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3gtj n ASN 225 N 0.00 0.00 0.00 4.37 2.85 -1.03 -4.70 115.26 116.76 3gtj n ASN 225 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3gtj n ASN 225 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3gtj n ASN 225 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 3gtj n GLU 226 N 0.00 0.00 0.10 1.20 0.00 -1.25 -4.71 120.64 115.98 3gtj n GLU 226 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.28 3gtj n GLU 226 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 31.44 31.89 3gtj n GLU 226 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3gtj n VAL 227 N -2.08 0.66 0.00 6.31 0.24 -1.26 -4.46 118.33 117.74 3gtj n VAL 227 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3gtj n VAL 227 Cb 0.00 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 3gtj n VAL 227 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3gtj n PHE 228 N -2.13 0.00 -3.77 6.34 3.72 -1.26 -4.99 117.46 115.37 3gtj n PHE 228 Ca 0.04 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.08 3gtj n PHE 228 Cb 0.33 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.74 3gtj n PHE 228 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3gtj s SER 229 N -2.37 5.15 -0.02 4.37 0.01 -1.26 -3.05 113.70 116.53 3gtj s SER 229 Ca 0.00 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.07 3gtj s SER 229 Cb 0.00 -1.92 0.03 0.00 0.21 0.00 0.00 66.02 64.33 3gtj s SER 229 CO 0.00 -0.03 0.02 -0.60 0.41 0.00 0.00 173.24 173.05 3gtj s ARG 230 N 1.56 -0.01 0.64 12.44 3.52 -1.26 -2.45 118.95 133.39 3gtj s ARG 230 Ca 0.06 0.16 0.39 0.00 -0.13 0.00 0.00 55.73 56.21 3gtj s ARG 230 Cb -0.15 -0.24 2.18 0.00 -1.56 0.00 0.00 34.95 35.18 3gtj s ARG 230 CO 0.04 -0.15 2.30 -1.35 -0.81 0.00 0.00 175.30 175.32 3gtj h PRO 231 N 7.17 0.00 0.00 5.12 0.11 -1.94 0.73 132.00 143.19 3gtj h PRO 231 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gtj h PRO 231 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gtj h PRO 231 CO 0.48 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.42 3gtj n GLU 232 N -3.31 0.14 0.00 1.05 0.00 -1.26 -2.23 120.64 115.03 3gtj n GLU 232 Ca -0.03 0.21 0.11 0.00 0.00 0.00 0.00 57.16 57.45 3gtj n GLU 232 Cb 0.11 -1.69 0.05 0.00 0.00 0.00 0.00 31.44 29.91 3gtj n GLU 232 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3gtj n TRP 233 N -1.95 0.00 0.53 -1.84 8.01 0.24 -3.94 117.44 118.50 3gtj n TRP 233 Ca 0.05 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.34 3gtj n TRP 233 Cb 0.33 -0.09 0.43 0.00 -2.01 0.00 0.00 31.31 29.97 3gtj n TRP 233 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.69 176.56 3gtj n MET 234 N -1.28 0.11 -4.45 -0.99 1.56 -0.94 -4.68 117.12 106.45 3gtj n MET 234 Ca 0.06 0.28 -0.30 0.00 -0.27 0.00 0.00 57.70 57.47 3gtj n MET 234 Cb 0.35 -1.69 -0.12 0.00 2.15 0.00 0.00 33.22 33.91 3gtj n MET 234 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 3gtj s ILE 235 N -3.14 2.68 -0.23 1.12 -5.25 -1.25 -4.43 121.20 110.69 3gtj s ILE 235 Ca 0.07 -1.46 -0.10 0.00 -0.99 0.00 0.00 60.65 58.17 3gtj s ILE 235 Cb 0.11 -2.18 -0.05 0.00 2.95 0.00 0.00 42.46 43.29 3gtj s ILE 235 CO 0.39 0.18 0.14 -0.76 -1.79 0.00 0.00 174.94 173.10 3gtj s LEU 236 N -1.89 4.05 -0.10 0.37 1.43 0.10 -4.95 118.68 117.69 3gtj s LEU 236 Ca 0.16 0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.43 3gtj s LEU 236 Cb -0.10 -2.08 -0.12 0.00 0.03 0.00 0.00 46.19 43.92 3gtj s LEU 236 CO 0.08 0.08 0.01 0.41 0.23 0.00 0.00 176.35 177.16 3gtj n THR 237 N 4.20 0.71 -3.66 5.49 -1.04 -1.26 -2.02 114.28 116.70 3gtj n THR 237 Ca -0.15 -0.41 -0.07 0.00 -2.04 0.00 0.00 64.05 61.38 3gtj n THR 237 Cb 0.52 -0.76 -0.08 0.00 -1.82 0.00 0.00 70.33 68.19 3gtj n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtj s LEU 239 N 2.01 4.50 -0.02 0.00 1.98 -1.17 -4.85 118.68 121.13 3gtj s LEU 239 Ca -0.08 1.38 -0.30 0.00 -2.89 0.00 0.00 54.13 52.24 3gtj s LEU 239 Cb -0.08 -3.08 -0.04 0.00 0.66 0.00 0.00 46.19 43.65 3gtj s LEU 239 CO -0.17 0.16 1.27 -2.84 -1.89 0.00 0.00 176.35 172.88 3gtj s PRO 240 N -0.68 4.34 -0.34 0.98 0.02 -1.26 -0.68 135.00 137.37 3gtj s PRO 240 Ca 0.33 1.79 -0.20 0.00 0.02 0.00 0.00 61.00 62.94 3gtj s PRO 240 Cb -0.20 -3.53 -0.00 0.00 0.02 0.00 0.00 34.50 30.79 3gtj s PRO 240 CO 0.21 -0.47 0.64 0.08 -0.33 0.00 0.00 177.00 177.13 3gtj s VAL 241 N 2.11 4.90 0.05 3.83 1.01 0.75 -4.94 120.40 128.10 3gtj s VAL 241 Ca 0.59 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 3gtj s VAL 241 Cb -0.28 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3gtj s VAL 241 CO 0.24 -0.26 1.03 -2.16 0.00 0.00 0.00 175.10 173.96 3gtj s PRO 242 N 2.68 4.56 1.08 2.72 0.05 -1.26 -0.54 135.00 144.29 3gtj s PRO 242 Ca 0.25 1.52 -0.13 0.00 0.05 0.00 0.00 61.00 62.69 3gtj s PRO 242 Cb -0.15 -3.41 0.19 0.00 0.05 0.00 0.00 34.50 31.18 3gtj s PRO 242 CO 0.14 -0.04 0.76 -2.30 0.05 0.00 0.00 177.00 175.61 3gtj n PRO 243 N 3.59 -1.55 -0.10 0.56 -0.02 -1.26 -4.74 135.00 131.48 3gtj n PRO 243 Ca 0.06 -0.42 -0.07 0.00 -2.02 0.00 0.00 63.50 61.05 3gtj n PRO 243 Cb 0.49 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 3gtj n PRO 243 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gtj h PRO 244 N -2.24 -0.20 -0.06 0.52 0.11 -1.86 -1.70 132.00 126.57 3gtj h PRO 244 Ca -0.53 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.61 3gtj h PRO 244 Cb 1.32 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 3gtj h PRO 244 CO 0.43 -0.13 0.82 -1.35 -0.21 0.00 0.00 178.00 177.55 3gtj h PRO 245 N -0.21 0.00 0.10 1.05 0.11 -1.93 0.27 132.00 131.40 3gtj h PRO 245 Ca 0.17 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.02 3gtj h PRO 245 Cb 0.48 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.60 3gtj h PRO 245 CO -0.48 0.00 -1.18 0.28 -0.21 0.00 0.00 178.00 176.42 3gtj h VAL 246 N 0.00 1.47 -2.07 3.15 2.07 -1.60 -3.40 116.25 115.88 3gtj h VAL 246 Ca 0.03 -2.89 -0.54 0.00 0.82 0.00 0.00 66.70 64.12 3gtj h VAL 246 Cb 1.66 2.82 -0.40 0.00 -1.52 0.00 0.00 31.29 33.84 3gtj h VAL 246 CO -0.00 0.85 -1.02 -2.11 0.02 0.00 0.00 177.57 175.31 3gtj n ARG 247 N -3.60 1.41 -1.13 1.57 1.85 0.94 -5.08 116.66 112.63 3gtj n ARG 247 Ca -0.08 -3.70 -0.35 0.00 -1.00 0.00 0.00 57.85 52.71 3gtj n ARG 247 Cb 0.98 -1.69 0.10 0.00 -1.05 0.00 0.00 32.46 30.79 3gtj n ARG 247 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3gtj n PRO 248 N 0.62 0.16 0.00 2.89 -0.02 -1.08 -4.36 135.00 133.22 3gtj n PRO 248 Ca 0.25 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3gtj n PRO 248 Cb 0.55 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3gtj n PRO 248 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gtj n SER 249 N -1.31 0.00 0.00 2.55 3.41 -1.26 -3.48 113.62 113.53 3gtj n SER 249 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3gtj n SER 249 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3gtj n SER 249 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3gtj n ILE 250 N 0.00 0.00 0.00 -1.33 -6.64 -1.20 -4.94 119.36 105.25 3gtj n ILE 250 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 3gtj n ILE 250 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 3gtj n ILE 250 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 3gtj n SER 251 N 10.18 0.00 -3.57 7.28 7.64 -1.26 -4.46 113.62 129.43 3gtj n SER 251 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 3gtj n SER 251 Cb 0.00 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 62.91 3gtj n SER 251 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3gtj s PHE 252 N -2.66 -0.25 -0.01 1.43 2.19 -1.26 -5.15 117.98 112.28 3gtj s PHE 252 Ca 0.00 0.29 0.02 0.00 0.33 0.00 0.00 56.93 57.58 3gtj s PHE 252 Cb 0.00 0.50 -0.01 0.00 -1.31 0.00 0.00 43.02 42.20 3gtj s PHE 252 CO 0.00 -0.31 -0.08 -0.80 1.83 0.00 0.00 175.22 175.87 3gtj s ASN 253 N -1.73 0.89 -0.95 6.13 0.02 -1.26 -3.76 114.94 114.27 3gtj s ASN 253 Ca 0.05 -0.14 -0.03 0.00 -1.02 0.00 0.00 52.86 51.72 3gtj s ASN 253 Cb -0.01 -0.10 0.24 0.00 0.02 0.00 0.00 41.25 41.40 3gtj s ASN 253 CO -0.04 0.09 0.90 -0.62 0.02 0.00 0.00 177.10 177.46 3gtj n GLU 254 N 2.90 2.96 -1.60 -0.60 -0.58 -1.26 -5.03 120.64 117.43 3gtj n GLU 254 Ca -0.13 -4.49 0.00 0.00 -0.42 0.00 0.00 57.16 52.12 3gtj n GLU 254 Cb 0.57 -2.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 3gtj n GLU 254 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3gtj n SER 255 N 2.27 -7.64 -3.59 1.62 7.64 -1.25 -4.97 113.62 107.71 3gtj n SER 255 Ca 0.23 1.07 -0.21 0.00 1.01 0.00 0.00 58.87 60.97 3gtj n SER 255 Cb 0.37 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.61 3gtj n SER 255 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3gtj n GLN 256 N 0.92 -1.58 -0.30 1.43 7.27 -1.26 -5.10 117.38 118.76 3gtj n GLN 256 Ca 0.00 1.03 -0.03 0.00 0.07 0.00 0.00 57.00 58.07 3gtj n GLN 256 Cb 0.00 -3.05 0.03 0.00 2.41 0.00 0.00 30.24 29.63 3gtj n GLN 256 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3gtj h ARG 257 N 0.21 -0.07 -4.69 3.69 2.43 -1.93 -3.44 114.38 110.59 3gtj h ARG 257 Ca -0.48 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 3gtj h ARG 257 Cb 1.31 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.77 3gtj h ARG 257 CO 0.33 -0.05 -1.32 0.41 -1.51 0.00 0.00 179.97 177.84 3gtj n GLY 258 N -1.46 -4.88 3.03 2.80 0.00 -1.26 -4.35 105.19 99.07 3gtj n GLY 258 Ca 0.08 1.39 -0.13 0.00 0.00 0.00 0.00 46.02 47.36 3gtj n GLY 258 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gtj s GLU 259 N -0.79 0.48 0.54 1.61 0.41 -1.26 -3.28 118.70 116.42 3gtj s GLU 259 Ca -0.23 -0.61 -0.20 0.00 -0.41 0.00 0.00 54.97 53.53 3gtj s GLU 259 Cb 0.02 -0.28 -0.06 0.00 -1.78 0.00 0.00 34.13 32.03 3gtj s GLU 259 CO 0.68 0.05 1.14 -0.51 -0.49 0.00 0.00 175.26 176.13 3gtj s ASP 260 N -1.24 5.70 0.50 -0.19 1.11 -1.23 -4.94 116.67 116.40 3gtj s ASP 260 Ca -0.08 2.19 0.28 0.00 0.18 0.00 0.00 52.55 55.13 3gtj s ASP 260 Cb -0.08 -2.58 1.38 0.00 1.07 0.00 0.00 42.92 42.70 3gtj s ASP 260 CO 0.00 -1.23 1.87 0.44 1.18 0.00 0.00 175.17 177.43 3gtj h ASP 261 N 1.20 0.12 0.43 0.27 3.32 -1.94 0.12 116.42 119.94 3gtj h ASP 261 Ca -0.50 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.41 3gtj h ASP 261 Cb 1.26 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 3gtj h ASP 261 CO 0.57 0.04 -0.66 -0.07 -1.72 0.00 0.00 179.24 177.40 3gtj h LEU 262 N 0.11 0.24 -0.33 1.55 3.38 -1.92 -2.53 115.31 115.81 3gtj h LEU 262 Ca 0.45 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3gtj h LEU 262 Cb 1.61 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3gtj h LEU 262 CO -0.06 0.83 0.00 0.41 0.09 0.00 0.00 178.44 179.71 3gtj n THR 263 N -3.82 1.56 -0.02 0.22 -1.04 0.42 -3.25 114.28 108.34 3gtj n THR 263 Ca -0.02 0.49 -0.01 0.00 -2.04 0.00 0.00 64.05 62.47 3gtj n THR 263 Cb 0.65 -1.44 -0.00 0.00 -1.82 0.00 0.00 70.33 67.72 3gtj n THR 263 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3gtj h PHE 264 N 0.00 0.00 -0.14 -1.42 0.04 -1.45 -3.34 116.94 110.63 3gtj h PHE 264 Ca 0.00 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 3gtj h PHE 264 Cb 0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3gtj h PHE 264 CO 0.00 0.00 0.18 0.87 -0.60 0.00 0.00 178.31 178.76 3gtj h LYS 265 N -0.29 0.00 -0.10 1.51 1.57 -1.62 0.41 116.57 118.05 3gtj h LYS 265 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3gtj h LYS 265 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3gtj h LYS 265 CO 0.00 0.00 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.71 3gtj h LEU 266 N 0.00 -0.30 -1.30 2.94 -0.00 -1.74 1.56 115.31 116.46 3gtj h LEU 266 Ca 0.07 0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.99 3gtj h LEU 266 Cb 0.43 0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.21 3gtj h LEU 266 CO -0.00 -0.13 0.25 0.00 -0.00 0.00 0.00 178.44 178.56 3gtj h ALA 267 N 0.95 1.46 -0.13 1.53 0.00 -0.37 0.30 119.26 123.00 3gtj h ALA 267 Ca 0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3gtj h ALA 267 Cb 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gtj h ALA 267 CO -0.17 0.43 -0.12 -0.44 0.00 0.00 0.00 179.25 178.94 3gtj h ASP 268 N 0.73 0.34 0.38 0.00 3.32 -0.26 0.16 116.42 121.08 3gtj h ASP 268 Ca 0.18 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 3gtj h ASP 268 Cb 0.08 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3gtj h ASP 268 CO -0.02 0.74 -0.48 0.40 -1.72 0.00 0.00 179.24 178.16 3gtj h ILE 269 N -0.06 0.00 0.00 0.35 2.04 0.23 -1.32 117.51 118.75 3gtj h ILE 269 Ca 0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3gtj h ILE 269 Cb 0.65 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3gtj h ILE 269 CO 0.03 0.00 -0.07 0.25 0.00 0.00 0.00 178.15 178.36 3gtj h LEU 270 N -0.88 0.00 0.22 1.44 6.46 -0.37 0.20 115.31 122.37 3gtj h LEU 270 Ca -0.05 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.42 3gtj h LEU 270 Cb 0.79 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.75 3gtj h LEU 270 CO -0.11 0.07 -1.28 0.50 -0.62 0.00 0.00 178.44 176.99 3gtj h LYS 271 N 0.00 0.46 -0.02 1.25 3.64 -0.67 -2.99 116.57 118.24 3gtj h LYS 271 Ca -0.00 -0.78 0.00 0.00 -1.27 0.00 0.00 60.65 58.60 3gtj h LYS 271 Cb 0.20 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3gtj h LYS 271 CO 0.01 1.37 0.00 0.00 -2.27 0.00 0.00 179.45 178.56 3gtj n ALA 272 N -2.72 2.62 -0.06 5.00 0.00 -0.50 -2.47 120.51 122.38 3gtj n ALA 272 Ca -0.17 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 3gtj n ALA 272 Cb 1.01 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 3gtj n ALA 272 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gtj n ASN 273 N -0.65 0.88 0.27 0.00 2.85 0.63 -4.06 115.26 115.19 3gtj n ASN 273 Ca 0.17 0.17 0.17 0.00 -0.11 0.00 0.00 54.58 54.98 3gtj n ASN 273 Cb 0.12 0.16 0.70 0.00 1.24 0.00 0.00 39.78 42.01 3gtj n ASN 273 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3gtj h ILE 274 N 0.01 0.00 -0.73 -1.44 2.04 -1.32 -2.81 117.51 113.26 3gtj h ILE 274 Ca -0.44 -0.46 0.16 0.00 1.00 0.00 0.00 64.86 65.12 3gtj h ILE 274 Cb 2.09 1.44 -0.13 0.00 -0.74 0.00 0.00 36.82 39.48 3gtj h ILE 274 CO 0.04 0.00 0.02 -1.28 0.00 0.00 0.00 178.15 176.93 3gtj h SER 275 N 0.00 -0.31 0.55 1.72 0.87 -1.64 -3.17 113.55 111.57 3gtj h SER 275 Ca 0.00 0.18 -0.29 0.00 -1.23 0.00 0.00 61.79 60.46 3gtj h SER 275 Cb 0.47 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3gtj h SER 275 CO 0.00 -0.16 -1.41 -0.07 -0.53 0.00 0.00 176.83 174.66 3gtj h LEU 276 N 0.12 0.35 -1.78 2.23 4.07 -1.72 -3.32 115.31 115.27 3gtj h LEU 276 Ca 0.40 -0.45 0.20 0.00 0.08 0.00 0.00 57.88 58.11 3gtj h LEU 276 Cb 0.69 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.27 3gtj h LEU 276 CO -0.63 1.37 0.54 -0.33 -1.08 0.00 0.00 178.44 178.31 3gtj h GLU 277 N 0.06 0.19 0.00 1.13 5.08 -1.56 -1.19 114.58 118.30 3gtj h GLU 277 Ca -0.19 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3gtj h GLU 277 Cb 1.98 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.19 3gtj h GLU 277 CO 0.17 0.13 -0.74 1.15 -1.00 0.00 0.00 179.01 178.71 3gtj h THR 278 N 0.20 0.06 -0.90 1.13 2.02 -1.66 -3.37 112.91 110.39 3gtj h THR 278 Ca 0.39 -1.11 -0.51 0.00 0.77 0.00 0.00 66.41 65.94 3gtj h THR 278 Cb 1.23 1.70 -0.28 0.00 -1.74 0.00 0.00 68.15 69.07 3gtj h THR 278 CO -0.08 0.04 0.56 0.18 0.37 0.00 0.00 175.52 176.59 3gtj n LEU 279 N -2.83 6.56 0.00 2.58 4.77 -0.45 -1.97 117.00 125.67 3gtj n LEU 279 Ca 0.00 -3.84 0.00 0.00 -0.03 0.00 0.00 56.01 52.15 3gtj n LEU 279 Cb 0.57 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3gtj n LEU 279 CO 0.39 1.22 -0.01 -0.62 -1.33 0.00 0.00 177.39 177.04 3gtj n GLU 280 N -1.08 0.05 -0.00 3.23 1.02 -1.19 -4.61 120.64 118.06 3gtj n GLU 280 Ca 0.57 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.73 3gtj n GLU 280 Cb 1.32 -0.51 -0.04 0.00 -0.02 0.00 0.00 31.44 32.20 3gtj n GLU 280 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3gtj n HIS 281 N -0.65 0.00 0.00 -0.32 8.25 -1.26 -4.92 115.22 116.32 3gtj n HIS 281 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3gtj n HIS 281 Cb 0.01 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.04 3gtj n HIS 281 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gtj n ASN 282 N -1.46 0.00 -4.92 0.41 3.02 -1.19 -5.07 115.26 106.05 3gtj n ASN 282 Ca -0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 3gtj n ASN 282 Cb 0.12 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.34 3gtj n ASN 282 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gtj s GLY 283 N -0.85 1.66 -0.45 7.41 0.00 -0.83 -5.02 107.32 109.25 3gtj s GLY 283 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 43.96 3gtj s GLY 283 CO 0.00 -0.46 1.02 0.00 0.00 0.00 0.00 173.10 173.66 3gtj n ALA 284 N -2.85 -0.37 -1.27 3.20 0.00 -1.26 -3.16 120.51 114.80 3gtj n ALA 284 Ca 0.07 -1.79 -0.16 0.00 0.00 0.00 0.00 53.44 51.56 3gtj n ALA 284 Cb 0.60 -1.14 0.19 0.00 0.00 0.00 0.00 19.45 19.09 3gtj n ALA 284 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gtj n PRO 285 N 0.53 -2.16 0.00 0.00 -0.02 -1.26 -5.08 135.00 127.02 3gtj n PRO 285 Ca 0.10 -1.47 -0.01 0.00 -2.02 0.00 0.00 63.50 60.10 3gtj n PRO 285 Cb 0.68 -1.23 -0.01 0.00 -0.02 0.00 0.00 33.50 32.92 3gtj n PRO 285 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3gtj h HIS 286 N -2.20 -0.06 -5.49 6.00 2.76 -2.01 -3.43 115.15 110.72 3gtj h HIS 286 Ca -0.33 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.81 3gtj h HIS 286 Cb 0.98 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.96 3gtj h HIS 286 CO 0.00 -0.04 -0.90 0.72 -1.30 0.00 0.00 177.93 176.41 3gtj n HIS 287 N -3.45 -3.14 -3.55 5.26 -0.00 -1.26 -4.11 115.22 104.98 3gtj n HIS 287 Ca -0.01 1.35 -0.40 0.00 -0.00 0.00 0.00 57.72 58.66 3gtj n HIS 287 Cb 0.03 -3.38 -0.06 0.00 -0.00 0.00 0.00 29.99 26.58 3gtj n HIS 287 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3gtj s ALA 288 N -1.75 3.99 0.00 -1.41 0.00 -1.26 -5.04 121.76 116.29 3gtj s ALA 288 Ca 0.09 -3.47 0.00 0.00 0.00 0.00 0.00 51.96 48.58 3gtj s ALA 288 Cb -0.02 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.05 3gtj s ALA 288 CO 0.66 -2.18 0.00 -0.89 0.00 0.00 0.00 175.76 173.35 3gtj n ILE 289 N 3.31 0.00 0.00 0.00 5.41 -1.26 -4.53 119.36 122.29 3gtj n ILE 289 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 3gtj n ILE 289 Cb 0.41 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 3gtj n ILE 289 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3gtj n GLU 290 N -2.65 0.00 -0.01 0.38 1.02 -1.26 -0.48 120.64 117.64 3gtj n GLU 290 Ca 0.00 0.41 0.10 0.00 -0.02 0.00 0.00 57.16 57.65 3gtj n GLU 290 Cb 0.49 -1.53 -0.14 0.00 -0.02 0.00 0.00 31.44 30.24 3gtj n GLU 290 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3gtj n GLU 291 N -1.41 0.56 0.03 3.49 1.02 -1.26 -4.33 120.64 118.73 3gtj n GLU 291 Ca 0.00 -0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 56.84 3gtj n GLU 291 Cb 0.03 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 3gtj n GLU 291 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtj h ALA 292 N 2.19 0.41 0.00 0.62 0.00 -1.01 -3.31 119.26 118.15 3gtj h ALA 292 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.62 3gtj h ALA 292 Cb 0.78 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3gtj h ALA 292 CO 0.00 1.27 0.00 0.39 0.00 0.00 0.00 179.25 180.91 3gtj n GLU 293 N -3.41 0.02 -0.11 0.00 1.02 -0.87 -2.41 120.64 114.88 3gtj n GLU 293 Ca -0.23 0.45 -0.23 0.00 -0.02 0.00 0.00 57.16 57.12 3gtj n GLU 293 Cb 1.05 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 30.82 3gtj n GLU 293 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3gtj n SER 294 N -1.59 1.89 -2.05 1.62 3.41 -1.25 -3.63 113.62 112.02 3gtj n SER 294 Ca 0.01 0.41 -0.17 0.00 -0.26 0.00 0.00 58.87 58.85 3gtj n SER 294 Cb 0.05 -0.92 -0.02 0.00 -0.26 0.00 0.00 64.21 63.06 3gtj n SER 294 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gtj n LEU 295 N -4.39 6.20 0.00 1.04 4.32 -1.05 -0.67 117.00 122.44 3gtj n LEU 295 Ca -0.37 -3.42 0.00 0.00 -0.02 0.00 0.00 56.01 52.20 3gtj n LEU 295 Cb 0.71 -1.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.35 3gtj n LEU 295 CO 0.14 1.41 0.00 -0.11 -1.22 0.00 0.00 177.39 177.61 3gtj n LEU 296 N 0.90 0.00 0.04 2.23 7.94 -1.01 -4.61 117.00 122.49 3gtj n LEU 296 Ca 0.34 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 55.20 3gtj n LEU 296 Cb 0.60 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.46 3gtj n LEU 296 CO 0.29 0.00 -0.12 -0.61 -1.11 0.00 0.00 177.39 175.84 3gtj h GLN 297 N 0.00 0.00 -0.30 1.96 5.75 -1.51 -3.32 115.11 117.69 3gtj h GLN 297 Ca 0.00 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 3gtj h GLN 297 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 3gtj h GLN 297 CO 0.00 0.58 -0.35 0.35 -2.65 0.00 0.00 178.83 176.76 3gtj h PHE 298 N 0.00 0.93 -0.31 3.99 3.57 -1.18 -0.29 116.94 123.65 3gtj h PHE 298 Ca -0.13 -0.29 -0.13 0.00 3.53 0.00 0.00 57.97 60.95 3gtj h PHE 298 Cb 1.74 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.27 3gtj h PHE 298 CO 0.00 1.07 -0.33 0.45 -2.23 0.00 0.00 178.31 177.27 3gtj h HIS 299 N 0.53 0.79 0.00 0.41 3.86 -1.82 -2.53 115.15 116.39 3gtj h HIS 299 Ca 0.04 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3gtj h HIS 299 Cb 0.93 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.22 3gtj h HIS 299 CO 0.07 0.92 0.00 0.28 0.86 0.00 0.00 177.93 180.06 3gtj h VAL 300 N 0.57 0.00 0.08 2.45 2.07 -1.65 -2.57 116.25 117.21 3gtj h VAL 300 Ca 0.06 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 3gtj h VAL 300 Cb 0.84 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3gtj h VAL 300 CO 0.07 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.62 3gtj h ALA 301 N 2.24 -0.55 -0.58 1.67 0.00 -0.82 -3.14 119.26 118.07 3gtj h ALA 301 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.00 3gtj h ALA 301 Cb 0.87 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 3gtj h ALA 301 CO 0.00 -0.55 -0.16 1.15 0.00 0.00 0.00 179.25 179.70 3gtj h THR 302 N -0.19 0.40 -0.98 0.00 2.02 -1.23 0.16 112.91 113.09 3gtj h THR 302 Ca -0.01 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.33 3gtj h THR 302 Cb 0.09 0.40 -0.09 0.00 -1.74 0.00 0.00 68.15 66.80 3gtj h THR 302 CO 0.02 0.00 0.62 0.22 0.37 0.00 0.00 175.52 176.74 3gtj h TYR 303 N -0.01 1.03 -0.01 3.16 3.20 -1.61 -1.88 116.97 120.83 3gtj h TYR 303 Ca 0.28 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 3gtj h TYR 303 Cb 0.44 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3gtj h TYR 303 CO -0.49 0.32 -0.12 1.98 -1.64 0.00 0.00 178.16 178.21 3gtj h MET 304 N 0.82 0.11 -1.88 1.82 4.05 -1.27 -3.08 114.93 115.49 3gtj h MET 304 Ca 0.52 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.83 3gtj h MET 304 Cb 0.74 0.02 -0.21 0.00 -0.80 0.00 0.00 31.60 31.35 3gtj h MET 304 CO -0.30 0.80 0.27 0.34 0.23 0.00 0.00 176.91 178.25 3gtj s ASP 305 N -6.11 -0.60 -0.23 1.39 2.15 0.49 -2.71 116.67 111.05 3gtj s ASP 305 Ca -0.16 0.81 -0.04 0.00 0.43 0.00 0.00 52.55 53.59 3gtj s ASP 305 Cb 0.01 0.70 0.10 0.00 -0.30 0.00 0.00 42.92 43.42 3gtj s ASP 305 CO 0.71 -0.45 0.19 0.54 -0.17 0.00 0.00 175.17 175.99 3gtj s ASN 306 N -0.77 2.14 0.00 -0.34 6.03 -1.24 -2.68 114.94 118.08 3gtj s ASN 306 Ca -0.06 -0.65 0.00 0.00 -1.03 0.00 0.00 52.86 51.12 3gtj s ASN 306 Cb -0.01 0.11 0.00 0.00 -3.03 0.00 0.00 41.25 38.31 3gtj s ASN 306 CO 0.05 -0.37 0.00 -0.67 -2.03 0.00 0.00 177.10 174.08 3gtj n ASP 307 N 5.29 0.00 0.00 3.54 2.03 -1.26 -4.93 116.55 121.22 3gtj n ASP 307 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 3gtj n ASP 307 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 3gtj n ASP 307 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3gtj n ILE 308 N 0.00 0.00 -3.74 5.18 -6.64 -1.26 -5.14 119.36 107.76 3gtj n ILE 308 Ca 0.00 0.00 -0.37 0.00 -1.77 0.00 0.00 62.75 60.61 3gtj n ILE 308 Cb 0.00 0.00 -0.12 0.00 -1.44 0.00 0.00 39.64 38.08 3gtj n ILE 308 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3gtj s ALA 309 N -1.63 3.24 0.00 -1.28 0.00 -1.26 -4.69 121.76 116.13 3gtj s ALA 309 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.86 3gtj s ALA 309 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.98 3gtj s ALA 309 CO 0.00 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.71 3gtj n GLY 310 N 4.87 -0.12 0.07 0.00 0.00 -1.26 -4.84 105.19 103.92 3gtj n GLY 310 Ca -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3gtj n GLY 310 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gtj n GLN 311 N -0.53 0.00 -2.05 1.61 -0.06 -1.26 -4.77 117.38 110.31 3gtj n GLN 311 Ca 0.00 0.05 -0.38 0.00 -2.00 0.00 0.00 57.00 54.67 3gtj n GLN 311 Cb 0.18 -0.02 0.03 0.00 -4.06 0.00 0.00 30.24 26.37 3gtj n GLN 311 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 3gtj n PRO 312 N 2.69 3.03 -0.35 3.69 -0.04 -1.26 -5.15 135.00 137.61 3gtj n PRO 312 Ca 0.00 -3.73 -0.29 0.00 -0.04 0.00 0.00 63.50 59.44 3gtj n PRO 312 Cb 0.00 -2.28 0.27 0.00 -0.04 0.00 0.00 33.50 31.44 3gtj n PRO 312 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3gtj n GLN 313 N -0.50 -3.79 -3.32 0.54 0.00 -1.26 -4.72 117.38 104.33 3gtj n GLN 313 Ca 0.51 -1.11 -0.26 0.00 -0.00 0.00 0.00 57.00 56.14 3gtj n GLN 313 Cb 0.29 -1.93 -0.08 0.00 0.00 0.00 0.00 30.24 28.52 3gtj n GLN 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gtj n ALA 314 N -5.39 3.41 -1.33 1.69 0.00 -1.26 -4.92 120.51 112.71 3gtj n ALA 314 Ca 0.09 -4.22 -0.38 0.00 0.00 0.00 0.00 53.44 48.93 3gtj n ALA 314 Cb 0.56 -0.86 0.03 0.00 0.00 0.00 0.00 19.45 19.18 3gtj n ALA 314 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gtj n LEU 315 N 1.05 -1.07 -0.05 0.00 7.99 -1.26 -4.32 117.00 119.33 3gtj n LEU 315 Ca 0.26 0.65 -0.05 0.00 -0.01 0.00 0.00 56.01 56.86 3gtj n LEU 315 Cb 0.46 -1.05 -0.02 0.00 -0.11 0.00 0.00 43.42 42.70 3gtj n LEU 315 CO 0.32 -3.81 -0.39 0.00 -1.51 0.00 0.00 177.39 172.00 3gtj n GLN 316 N 0.48 0.30 0.09 3.23 1.13 -1.26 -4.99 117.38 116.37 3gtj n GLN 316 Ca 0.09 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 3gtj n GLN 316 Cb 0.48 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.80 3gtj n GLN 316 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3gtj n LYS 317 N -3.62 0.00 0.00 -1.09 0.00 -1.26 -5.02 118.16 107.17 3gtj n LYS 317 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 3gtj n LYS 317 Cb 0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 35.03 35.32 3gtj n LYS 317 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3gtj n SER 318 N -3.12 1.00 -3.39 -5.58 2.88 -1.26 -5.12 113.62 99.03 3gtj n SER 318 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 3gtj n SER 318 Cb 0.00 0.04 0.28 0.00 -0.75 0.00 0.00 64.21 63.78 3gtj n SER 318 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gtj n GLY 319 N 1.65 -3.66 1.64 0.46 0.00 -1.26 -5.03 105.19 98.99 3gtj n GLY 319 Ca 0.00 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 3gtj n GLY 319 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gtj n ARG 320 N -5.49 -2.78 -0.37 1.61 5.12 -1.26 -4.40 116.66 109.10 3gtj n ARG 320 Ca 0.12 -0.79 -0.28 0.00 -1.93 0.00 0.00 57.85 54.97 3gtj n ARG 320 Cb 0.58 -0.87 0.26 0.00 -1.16 0.00 0.00 32.46 31.27 3gtj n ARG 320 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3gtj n PRO 321 N -3.53 -3.60 0.05 5.56 -0.02 -1.26 -4.26 135.00 127.93 3gtj n PRO 321 Ca 0.07 -1.06 0.13 0.00 -2.02 0.00 0.00 63.50 60.62 3gtj n PRO 321 Cb 0.29 -1.91 0.37 0.00 -0.02 0.00 0.00 33.50 32.23 3gtj n PRO 321 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3gtj n VAL 322 N -5.31 0.27 0.00 -1.45 0.24 -1.26 -4.93 118.33 105.88 3gtj n VAL 322 Ca 0.08 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 3gtj n VAL 322 Cb 0.55 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 3gtj n VAL 322 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3gtj n LYS 323 N -1.88 0.00 0.00 7.34 3.00 -1.26 -4.86 118.16 120.49 3gtj n LYS 323 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 3gtj n LYS 323 Cb 0.39 -3.10 0.00 0.00 0.00 0.00 0.00 35.03 32.32 3gtj n LYS 323 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3gtj n SER 324 N 0.00 0.00 0.13 3.14 2.88 -1.26 -3.12 113.62 115.38 3gtj n SER 324 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3gtj n SER 324 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 3gtj n SER 324 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3gtj h ILE 325 N 0.00 1.23 -0.91 2.46 2.04 -1.66 -3.11 117.51 117.56 3gtj h ILE 325 Ca 0.00 -2.39 0.07 0.00 1.00 0.00 0.00 64.86 63.54 3gtj h ILE 325 Cb 0.00 2.38 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 3gtj h ILE 325 CO 0.00 0.63 0.59 -0.09 0.00 0.00 0.00 178.15 179.28 3gtj h ARG 326 N 0.00 0.97 -0.42 2.37 1.12 -1.71 -2.58 114.38 114.14 3gtj h ARG 326 Ca -0.01 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 3gtj h ARG 326 Cb 1.33 -0.22 0.00 0.00 -0.01 0.00 0.00 29.97 31.07 3gtj h ARG 326 CO 0.08 0.64 0.00 0.00 -3.11 0.00 0.00 179.97 177.58 3gtj n ALA 327 N -2.40 2.93 0.16 2.80 0.00 -1.18 -2.07 120.51 120.75 3gtj n ALA 327 Ca 0.14 -1.82 0.06 0.00 0.00 0.00 0.00 53.44 51.82 3gtj n ALA 327 Cb 0.23 -0.77 0.07 0.00 0.00 0.00 0.00 19.45 18.98 3gtj n ALA 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtj h ARG 328 N 2.69 0.00 0.00 0.00 3.08 -1.39 -3.38 114.38 115.38 3gtj h ARG 328 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 3gtj h ARG 328 Cb 1.34 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.33 3gtj h ARG 328 CO 0.20 0.33 -2.28 1.28 -1.07 0.00 0.00 179.97 178.43 3gtj n LEU 329 N -3.18 0.00 -4.64 3.04 4.77 -1.18 -2.07 117.00 113.74 3gtj n LEU 329 Ca 0.03 0.00 -0.49 0.00 -0.03 0.00 0.00 56.01 55.51 3gtj n LEU 329 Cb 0.67 0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 42.16 3gtj n LEU 329 CO 0.38 0.46 1.08 1.17 -1.33 0.00 0.00 177.39 179.15 3gtj n LYS 330 N -2.69 1.65 -0.66 3.23 4.81 -0.88 -3.63 118.16 120.00 3gtj n LYS 330 Ca -0.30 0.60 -0.32 0.00 -0.87 0.00 0.00 58.31 57.42 3gtj n LYS 330 Cb 1.10 -2.31 0.18 0.00 0.02 0.00 0.00 35.03 34.02 3gtj n LYS 330 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gtj n GLY 331 N 3.08 -2.15 1.91 3.14 0.00 -1.26 -3.64 105.19 106.28 3gtj n GLY 331 Ca 0.18 -0.85 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 3gtj n GLY 331 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gtj n LYS 332 N -2.72 -3.08 -0.86 1.61 0.00 -1.20 -4.24 118.16 107.68 3gtj n LYS 332 Ca 0.03 2.45 0.00 0.00 0.00 0.00 0.00 58.31 60.79 3gtj n LYS 332 Cb 0.58 -3.18 0.00 0.00 0.00 0.00 0.00 35.03 32.43 3gtj n LYS 332 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3gtj n GLU 333 N 1.09 -1.16 0.00 1.64 -0.58 -1.16 -4.96 120.64 115.51 3gtj n GLU 333 Ca -0.07 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 3gtj n GLU 333 Cb 0.11 -4.56 0.00 0.00 -0.57 0.00 0.00 31.44 26.42 3gtj n GLU 333 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gtj n GLY 334 N -0.35 0.05 0.13 0.62 0.00 -1.24 -4.92 105.19 99.47 3gtj n GLY 334 Ca 0.00 -1.72 0.12 0.00 0.00 0.00 0.00 46.02 44.41 3gtj n GLY 334 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gtj h ARG 335 N 0.00 0.00 0.00 1.61 9.65 -1.48 -3.28 114.38 120.87 3gtj h ARG 335 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 3gtj h ARG 335 Cb 0.00 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3gtj h ARG 335 CO 0.00 0.00 -1.05 -0.89 2.80 0.00 0.00 179.97 180.83 3gtj n ILE 336 N -2.68 1.21 -1.72 1.20 5.41 -1.26 -3.58 119.36 117.93 3gtj n ILE 336 Ca 0.01 0.08 -0.36 0.00 1.00 0.00 0.00 62.75 63.48 3gtj n ILE 336 Cb 0.53 -1.92 -0.03 0.00 -0.71 0.00 0.00 39.64 37.52 3gtj n ILE 336 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3gtj n ARG 337 N -3.93 3.95 0.00 0.38 0.63 -1.26 -1.88 116.66 114.55 3gtj n ARG 337 Ca -0.17 -2.90 0.00 0.00 -0.92 0.00 0.00 57.85 53.87 3gtj n ARG 337 Cb 0.45 -2.56 0.00 0.00 0.45 0.00 0.00 32.46 30.80 3gtj n ARG 337 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gtj n GLY 338 N 2.03 0.05 0.00 5.14 0.00 -1.26 -2.97 105.19 108.18 3gtj n GLY 338 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.65 3gtj n GLY 338 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gtj n ASN 339 N 0.00 0.23 0.00 1.61 3.02 -1.24 -4.57 115.26 114.31 3gtj n ASN 339 Ca 0.00 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 3gtj n ASN 339 Cb 0.00 0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 3gtj n ASN 339 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gtj n LEU 340 N -0.47 0.34 0.10 3.41 4.77 -1.19 -4.72 117.00 119.23 3gtj n LEU 340 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3gtj n LEU 340 Cb 0.03 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.57 3gtj n LEU 340 CO 0.00 -0.08 0.86 0.23 -1.33 0.00 0.00 177.39 177.06 3gtj n MET 341 N -2.72 0.17 -3.12 3.23 2.81 -0.79 -4.67 117.12 112.03 3gtj n MET 341 Ca 0.00 0.31 0.04 0.00 -1.81 0.00 0.00 57.70 56.24 3gtj n MET 341 Cb 0.33 -1.77 -0.00 0.00 -0.71 0.00 0.00 33.22 31.07 3gtj n MET 341 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3gtj s GLY 342 N -3.44 -1.18 0.36 3.03 0.00 -1.26 -4.97 107.32 99.86 3gtj s GLY 342 Ca 0.07 1.32 0.02 0.00 0.00 0.00 0.00 44.72 46.14 3gtj s GLY 342 CO 0.44 3.88 0.54 0.54 0.00 0.00 0.00 173.10 178.51 3gtj s LYS 343 N 2.67 3.26 0.44 2.90 1.02 -1.26 -4.14 119.74 124.62 3gtj s LYS 343 Ca 0.17 -0.60 -0.22 0.00 0.02 0.00 0.00 55.97 55.35 3gtj s LYS 343 Cb -0.05 -2.70 -0.10 0.00 -0.52 0.00 0.00 37.83 34.46 3gtj s LYS 343 CO -0.22 0.04 1.00 1.03 -0.92 0.00 0.00 175.35 176.28 3gtj s ARG 344 N -4.31 4.10 0.04 1.68 0.52 -1.26 -5.08 118.95 114.64 3gtj s ARG 344 Ca 0.43 1.29 -0.05 0.00 -0.52 0.00 0.00 55.73 56.88 3gtj s ARG 344 Cb -0.10 -2.26 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 3gtj s ARG 344 CO 0.34 -0.16 0.07 0.14 0.02 0.00 0.00 175.30 175.71 3gtj s VAL 345 N -1.98 0.15 0.53 3.52 -7.23 -1.26 -5.16 120.40 108.97 3gtj s VAL 345 Ca 0.62 -1.22 -0.05 0.00 -1.81 0.00 0.00 61.98 59.52 3gtj s VAL 345 Cb -0.14 -1.01 0.12 0.00 0.56 0.00 0.00 36.38 35.90 3gtj s VAL 345 CO 0.19 -0.67 0.72 0.47 -0.31 0.00 0.00 175.10 175.50 3gtj n ASP 346 N 0.62 0.43 -3.66 4.85 9.92 -1.26 -4.62 116.55 122.83 3gtj n ASP 346 Ca -0.18 -1.49 -0.30 0.00 -0.53 0.00 0.00 54.79 52.29 3gtj n ASP 346 Cb 0.59 -0.52 0.04 0.00 -0.64 0.00 0.00 41.12 40.59 3gtj n ASP 346 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3gtj n PHE 347 N -2.74 -1.96 -3.73 1.24 3.01 -1.26 -4.84 117.46 107.18 3gtj n PHE 347 Ca 0.10 0.50 -0.10 0.00 1.01 0.00 0.00 57.45 58.96 3gtj n PHE 347 Cb 0.36 -3.41 -0.06 0.00 -0.01 0.00 0.00 39.48 36.37 3gtj n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gtj s SER 348 N -3.41 -0.08 0.22 4.37 1.04 -1.26 -2.10 113.70 112.48 3gtj s SER 348 Ca 0.42 -0.45 -0.00 0.00 0.48 0.00 0.00 55.95 56.40 3gtj s SER 348 Cb -0.15 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3gtj s SER 348 CO 0.86 -0.79 0.30 0.00 0.98 0.00 0.00 173.24 174.58 3gtj n ALA 349 N -0.13 -0.14 0.00 5.32 0.00 -1.02 -5.01 120.51 119.53 3gtj n ALA 349 Ca -0.16 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.23 3gtj n ALA 349 Cb 0.63 0.85 0.00 0.00 0.00 0.00 0.00 19.45 20.93 3gtj n ALA 349 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3gtj n ARG 350 N -0.37 0.00 -3.71 0.00 0.63 -1.26 -3.55 116.66 108.40 3gtj n ARG 350 Ca 0.01 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.92 3gtj n ARG 350 Cb 0.37 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.27 3gtj n ARG 350 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3gtj s THR 351 N -0.87 0.00 0.47 5.15 2.01 -1.18 -4.97 115.64 116.24 3gtj s THR 351 Ca 0.00 -0.50 -0.23 0.00 0.31 0.00 0.00 61.69 61.26 3gtj s THR 351 Cb 0.00 -1.97 -0.09 0.00 0.01 0.00 0.00 72.50 70.45 3gtj s THR 351 CO 0.00 0.00 1.08 0.52 -0.69 0.00 0.00 174.62 175.53 3gtj n VAL 352 N -0.47 2.80 -4.23 3.82 0.31 -1.26 -2.43 118.33 116.87 3gtj n VAL 352 Ca -0.07 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.48 3gtj n VAL 352 Cb 0.61 -1.28 -0.09 0.00 -0.91 0.00 0.00 33.84 32.17 3gtj n VAL 352 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3gtj s ILE 353 N -1.31 3.41 0.07 2.52 -4.36 -0.94 -1.92 121.20 118.67 3gtj s ILE 353 Ca 0.66 -1.38 -0.13 0.00 -0.26 0.00 0.00 60.65 59.54 3gtj s ILE 353 Cb -0.51 -2.64 0.02 0.00 1.25 0.00 0.00 42.46 40.58 3gtj s ILE 353 CO 0.55 0.02 0.29 -0.94 0.24 0.00 0.00 174.94 175.09 3gtj s SER 354 N -2.49 -0.07 0.45 4.36 1.04 -0.79 -4.66 113.70 111.53 3gtj s SER 354 Ca 0.23 -0.36 -0.11 0.00 0.48 0.00 0.00 55.95 56.19 3gtj s SER 354 Cb -0.10 0.38 -0.06 0.00 0.10 0.00 0.00 66.02 66.33 3gtj s SER 354 CO 0.15 -0.70 0.83 -0.83 0.98 0.00 0.00 173.24 173.67 3gtj s GLY 355 N -2.46 1.90 -0.26 7.32 0.00 -1.26 -2.30 107.32 110.25 3gtj s GLY 355 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.54 3gtj s GLY 355 CO -0.08 0.06 0.25 -0.35 0.00 0.00 0.00 173.10 172.98 3gtj s ASP 356 N -3.30 1.87 0.44 1.64 -1.08 -0.94 -4.79 116.67 110.50 3gtj s ASP 356 Ca 0.53 -0.67 0.28 0.00 -0.52 0.00 0.00 52.55 52.17 3gtj s ASP 356 Cb -0.10 0.34 1.55 0.00 -1.46 0.00 0.00 42.92 43.24 3gtj s ASP 356 CO 0.34 -0.38 1.87 -0.65 0.52 0.00 0.00 175.17 176.87 3gtj h PRO 357 N 8.30 0.00 -0.02 4.34 0.11 -1.98 -1.79 132.00 140.96 3gtj h PRO 357 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3gtj h PRO 357 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gtj h PRO 357 CO 0.34 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.22 3gtj n ASN 358 N -2.51 2.38 -4.96 -2.05 3.02 -1.26 -4.59 115.26 105.28 3gtj n ASN 358 Ca -0.02 -2.89 -0.22 0.00 -0.03 0.00 0.00 54.58 51.42 3gtj n ASN 358 Cb 0.07 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 38.87 3gtj n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gtj s LEU 359 N -2.54 4.01 0.30 3.41 1.43 -0.67 -5.12 118.68 119.50 3gtj s LEU 359 Ca 0.27 0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.50 3gtj s LEU 359 Cb 0.23 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 3gtj s LEU 359 CO 0.03 -0.35 0.57 -1.61 0.23 0.00 0.00 176.35 175.22 3gtj s GLU 360 N -4.25 3.63 0.09 1.70 0.41 -1.26 -4.87 118.70 114.15 3gtj s GLU 360 Ca 0.41 0.02 -0.27 0.00 -0.41 0.00 0.00 54.97 54.72 3gtj s GLU 360 Cb -0.09 -2.63 -0.14 0.00 -1.78 0.00 0.00 34.13 29.49 3gtj s GLU 360 CO 0.34 0.19 1.67 1.25 -0.49 0.00 0.00 175.26 178.22 3gtj h LEU 361 N 1.58 -0.45 0.00 1.80 5.85 -1.97 -1.68 115.31 120.44 3gtj h LEU 361 Ca -0.48 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3gtj h LEU 361 Cb 1.19 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3gtj h LEU 361 CO 0.66 -0.28 0.00 -0.90 -0.34 0.00 0.00 178.44 177.58 3gtj n ASP 362 N -5.30 0.00 -3.90 1.25 3.85 -1.26 -4.68 116.55 106.52 3gtj n ASP 362 Ca -0.09 -1.11 -0.18 0.00 -0.71 0.00 0.00 54.79 52.70 3gtj n ASP 362 Cb 0.21 0.00 0.10 0.00 -1.35 0.00 0.00 41.12 40.08 3gtj n ASP 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gtj n GLN 363 N -0.78 -0.02 -3.45 0.11 6.02 -0.63 0.64 117.38 119.26 3gtj n GLN 363 Ca 0.10 -2.03 0.01 0.00 -0.01 0.00 0.00 57.00 55.07 3gtj n GLN 363 Cb 0.05 -0.55 -0.04 0.00 1.02 0.00 0.00 30.24 30.72 3gtj n GLN 363 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3gtj s VAL 364 N -2.36 -0.45 -0.19 5.09 0.11 -0.88 -4.60 120.40 117.12 3gtj s VAL 364 Ca 0.51 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.27 3gtj s VAL 364 Cb -0.03 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.82 3gtj s VAL 364 CO 0.34 0.00 1.13 -0.83 -3.33 0.00 0.00 175.10 172.41 3gtj s GLY 365 N 2.31 1.74 -0.27 6.54 0.00 0.25 -2.07 107.32 115.82 3gtj s GLY 365 Ca -0.04 0.32 0.01 0.00 0.00 0.00 0.00 44.72 45.01 3gtj s GLY 365 CO -0.17 2.29 -0.01 0.14 0.00 0.00 0.00 173.10 175.35 3gtj s VAL 366 N 3.19 1.56 0.29 1.40 1.01 -1.19 -2.49 120.40 124.17 3gtj s VAL 366 Ca 0.49 -1.45 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 3gtj s VAL 366 Cb -0.18 -1.94 -0.13 0.00 0.00 0.00 0.00 36.38 34.13 3gtj s VAL 366 CO 0.11 -0.28 1.23 -2.65 0.00 0.00 0.00 175.10 173.50 3gtj n PRO 367 N 4.62 1.82 -0.27 2.72 -0.02 -1.26 -2.55 135.00 140.06 3gtj n PRO 367 Ca -0.08 0.64 -0.04 0.00 -2.02 0.00 0.00 63.50 62.01 3gtj n PRO 367 Cb 0.43 -2.17 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 3gtj n PRO 367 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3gtj h LYS 368 N 2.82 -0.10 -0.48 -0.52 1.57 -1.54 0.43 116.57 118.76 3gtj h LYS 368 Ca -0.44 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.39 3gtj h LYS 368 Cb 1.30 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.58 3gtj h LYS 368 CO 0.65 -0.07 -0.28 0.45 -0.57 0.00 0.00 179.45 179.64 3gtj n SER 369 N -5.45 -0.51 0.17 0.86 2.88 -1.26 0.53 113.62 110.85 3gtj n SER 369 Ca 0.06 0.95 -0.14 0.00 -1.33 0.00 0.00 58.87 58.41 3gtj n SER 369 Cb 0.37 -0.16 -0.08 0.00 -0.75 0.00 0.00 64.21 63.59 3gtj n SER 369 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3gtj h ILE 370 N 0.00 0.68 -0.27 2.46 2.04 -1.30 -2.34 117.51 118.80 3gtj h ILE 370 Ca 0.08 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.56 3gtj h ILE 370 Cb 0.20 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3gtj h ILE 370 CO -0.45 0.09 0.49 0.00 0.00 0.00 0.00 178.15 178.29 3gtj h ALA 371 N -0.13 1.86 0.00 1.87 0.00 -0.15 1.24 119.26 123.95 3gtj h ALA 371 Ca -0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3gtj h ALA 371 Cb 0.48 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3gtj h ALA 371 CO 0.07 -0.63 -0.53 0.87 0.00 0.00 0.00 179.25 179.03 3gtj h LYS 372 N 0.00 0.00 0.00 0.00 1.57 0.64 -2.90 116.57 115.88 3gtj h LYS 372 Ca 0.13 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.52 3gtj h LYS 372 Cb 1.11 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.36 3gtj h LYS 372 CO -0.00 0.53 -2.44 2.41 -0.57 0.00 0.00 179.45 179.38 3gtj n THR 373 N -3.42 1.47 -2.43 -0.16 -1.04 0.41 -4.90 114.28 104.22 3gtj n THR 373 Ca 0.01 -0.65 -0.42 0.00 -2.04 0.00 0.00 64.05 60.95 3gtj n THR 373 Cb 0.66 -1.16 -0.03 0.00 -1.82 0.00 0.00 70.33 67.98 3gtj n THR 373 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3gtj s LEU 374 N -6.24 4.42 0.04 -4.42 1.43 -0.40 -5.04 118.68 108.46 3gtj s LEU 374 Ca -0.28 2.09 0.08 0.00 -1.03 0.00 0.00 54.13 55.00 3gtj s LEU 374 Cb 0.08 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 3gtj s LEU 374 CO 0.67 -0.39 -0.25 0.28 0.23 0.00 0.00 176.35 176.89 3gtj s THR 375 N 0.49 1.98 -0.31 5.49 -1.32 -1.26 -2.99 115.64 117.72 3gtj s THR 375 Ca 0.55 -1.29 0.01 0.00 -1.21 0.00 0.00 61.69 59.76 3gtj s THR 375 Cb -0.30 -1.69 0.07 0.00 -1.51 0.00 0.00 72.50 69.07 3gtj s THR 375 CO 0.32 0.35 -0.00 -0.47 -2.21 0.00 0.00 174.62 172.61 3gtj s TYR 376 N -0.77 3.45 -0.46 9.09 5.04 -0.61 -4.97 117.35 128.11 3gtj s TYR 376 Ca 0.10 -2.42 -0.42 0.00 -2.44 0.00 0.00 57.07 51.90 3gtj s TYR 376 Cb -0.10 -2.41 -0.18 0.00 0.35 0.00 0.00 41.96 39.63 3gtj s TYR 376 CO 0.02 -0.89 1.85 -2.30 -1.34 0.00 0.00 175.55 172.88 3gtj n PRO 377 N 4.45 0.00 -4.12 4.97 -0.02 -1.26 -3.50 135.00 135.51 3gtj n PRO 377 Ca -0.07 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.22 3gtj n PRO 377 Cb 0.42 -1.39 -0.16 0.00 -0.02 0.00 0.00 33.50 32.35 3gtj n PRO 377 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3gtj s GLU 378 N 4.78 0.64 0.28 -0.52 2.12 -0.92 -4.87 118.70 120.21 3gtj s GLU 378 Ca 1.08 -0.09 -0.14 0.00 0.36 0.00 0.00 54.97 56.18 3gtj s GLU 378 Cb -1.39 -0.67 -0.08 0.00 0.26 0.00 0.00 34.13 32.24 3gtj s GLU 378 CO 0.66 -0.05 0.67 0.08 -0.54 0.00 0.00 175.26 176.08 3gtj s VAL 379 N 0.71 4.75 -0.34 3.70 1.01 -1.26 -0.73 120.40 128.24 3gtj s VAL 379 Ca -0.09 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 3gtj s VAL 379 Cb -0.12 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3gtj s VAL 379 CO -0.00 -0.09 1.16 -0.69 0.00 0.00 0.00 175.10 175.48 3gtj s VAL 380 N -1.87 4.34 0.03 2.92 1.01 0.33 -4.90 120.40 122.26 3gtj s VAL 380 Ca 0.50 1.51 0.06 0.00 0.00 0.00 0.00 61.98 64.06 3gtj s VAL 380 Cb -0.11 -4.35 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 3gtj s VAL 380 CO 0.19 -0.55 -0.18 0.28 0.00 0.00 0.00 175.10 174.83 3gtj s THR 381 N 4.02 1.45 0.10 3.92 -1.32 -1.26 -2.41 115.64 120.13 3gtj s THR 381 Ca 0.49 -1.05 0.14 0.00 -1.21 0.00 0.00 61.69 60.07 3gtj s THR 381 Cb -0.13 -1.26 0.14 0.00 -1.51 0.00 0.00 72.50 69.74 3gtj s THR 381 CO 0.20 0.18 1.35 -0.65 -2.21 0.00 0.00 174.62 173.49 3gtj h PRO 382 N 5.05 0.00 -0.20 7.08 0.11 -1.99 0.81 132.00 142.86 3gtj h PRO 382 Ca -0.40 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.60 3gtj h PRO 382 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3gtj h PRO 382 CO 0.45 0.00 -0.37 1.88 -0.21 0.00 0.00 178.00 179.75 3gtj h TYR 383 N 0.00 0.51 0.00 0.65 -1.99 -1.98 -3.38 116.97 110.78 3gtj h TYR 383 Ca 0.00 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.60 3gtj h TYR 383 Cb 0.65 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.26 3gtj h TYR 383 CO 0.00 0.75 -1.13 0.27 -0.00 0.00 0.00 178.16 178.05 3gtj n ASN 384 N -4.05 1.85 -0.37 3.88 0.23 0.28 -4.77 115.26 112.32 3gtj n ASN 384 Ca -0.01 -0.26 0.04 0.00 -0.53 0.00 0.00 54.58 53.82 3gtj n ASN 384 Cb 0.47 1.31 0.11 0.00 -2.08 0.00 0.00 39.78 39.60 3gtj n ASN 384 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3gtj h ILE 385 N 0.00 0.00 -0.44 1.53 2.04 -1.69 0.29 117.51 119.24 3gtj h ILE 385 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3gtj h ILE 385 Cb 0.40 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 3gtj h ILE 385 CO 0.00 0.00 0.09 0.44 0.00 0.00 0.00 178.15 178.68 3gtj h ASP 386 N -0.00 0.01 -0.11 1.72 3.45 -1.87 0.51 116.42 120.13 3gtj h ASP 386 Ca 0.44 0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.90 3gtj h ASP 386 Cb 0.69 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 3gtj h ASP 386 CO -1.02 0.04 -0.23 -0.09 -1.57 0.00 0.00 179.24 176.37 3gtj h ARG 387 N 0.22 0.35 0.38 3.56 2.43 -1.30 -3.21 114.38 116.80 3gtj h ARG 387 Ca 0.21 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3gtj h ARG 387 Cb 0.27 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3gtj h ARG 387 CO -0.28 0.83 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.59 3gtj h LEU 388 N -0.09 -0.93 -1.49 3.80 3.38 0.17 -1.60 115.31 118.56 3gtj h LEU 388 Ca 0.00 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.22 3gtj h LEU 388 Cb 0.82 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 3gtj h LEU 388 CO 0.05 -0.49 0.56 0.74 0.09 0.00 0.00 178.44 179.38 3gtj h THR 389 N -0.74 0.76 -0.37 0.22 2.02 -0.15 0.63 112.91 115.28 3gtj h THR 389 Ca -0.03 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3gtj h THR 389 Cb 0.66 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3gtj h THR 389 CO -0.04 0.09 0.18 -0.61 0.37 0.00 0.00 175.52 175.50 3gtj h GLN 390 N 0.47 0.53 0.52 6.66 5.75 -1.50 -2.56 115.11 124.99 3gtj h GLN 390 Ca 0.43 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.82 3gtj h GLN 390 Cb 0.95 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 29.41 3gtj h GLN 390 CO -0.16 0.48 -0.25 -0.07 -2.65 0.00 0.00 178.83 176.18 3gtj h LEU 391 N 0.46 -0.59 -0.34 -2.39 3.38 0.12 0.18 115.31 116.13 3gtj h LEU 391 Ca 0.13 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3gtj h LEU 391 Cb 0.12 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3gtj h LEU 391 CO -0.02 -0.34 -0.20 0.52 0.09 0.00 0.00 178.44 178.49 3gtj n VAL 392 N -5.35 -0.23 -0.11 1.22 0.31 -0.33 -0.61 118.33 113.22 3gtj n VAL 392 Ca -0.12 1.60 0.09 0.00 -0.01 0.00 0.00 64.34 65.90 3gtj n VAL 392 Cb 0.31 -2.05 0.44 0.00 -0.91 0.00 0.00 33.84 31.63 3gtj n VAL 392 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3gtj h ARG 393 N 0.00 0.53 -0.21 5.55 3.08 -1.38 -1.90 114.38 120.04 3gtj h ARG 393 Ca 0.06 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.13 3gtj h ARG 393 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3gtj h ARG 393 CO -0.32 0.35 0.19 -0.97 -1.07 0.00 0.00 179.97 178.15 3gtj h ASN 394 N 0.54 0.00 -4.13 7.04 -0.73 0.18 -3.48 115.58 115.00 3gtj h ASN 394 Ca 0.28 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.45 3gtj h ASN 394 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.98 3gtj h ASN 394 CO -0.08 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.59 3gtj n GLY 395 N -1.47 -2.08 0.43 1.57 0.00 -0.72 -4.31 105.19 98.61 3gtj n GLY 395 Ca 0.02 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3gtj n GLY 395 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gtj n PRO 396 N -1.14 0.25 0.00 1.61 -0.02 -1.26 -3.38 135.00 131.07 3gtj n PRO 396 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gtj n PRO 396 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3gtj n PRO 396 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gtj n ASN 397 N 0.25 3.60 -4.72 2.55 3.02 -1.26 -4.88 115.26 113.83 3gtj n ASN 397 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3gtj n ASN 397 Cb 0.05 0.28 -0.04 0.00 -0.61 0.00 0.00 39.78 39.46 3gtj n ASN 397 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3gtj s GLU 398 N -1.76 4.50 0.13 3.52 2.12 -1.22 -5.00 118.70 120.99 3gtj s GLU 398 Ca 0.00 1.12 -0.28 0.00 0.36 0.00 0.00 54.97 56.17 3gtj s GLU 398 Cb 0.00 -3.44 -0.08 0.00 0.26 0.00 0.00 34.13 30.87 3gtj s GLU 398 CO 0.00 0.05 1.48 1.25 -0.54 0.00 0.00 175.26 177.50 3gtj h HIS 399 N 6.62 -1.60 -0.51 5.30 -0.00 -1.94 -3.07 115.15 119.96 3gtj h HIS 399 Ca -0.41 0.09 -0.32 0.00 -0.00 0.00 0.00 60.37 59.73 3gtj h HIS 399 Cb 1.21 0.78 -0.04 0.00 -0.00 0.00 0.00 27.41 29.36 3gtj h HIS 399 CO 0.66 -0.38 0.99 -2.14 -0.00 0.00 0.00 177.93 177.07 3gtj s PRO 400 N -5.26 2.48 0.00 5.26 0.02 -1.26 -4.77 135.00 131.47 3gtj s PRO 400 Ca -0.12 -1.00 0.00 0.00 0.02 0.00 0.00 61.00 59.90 3gtj s PRO 400 Cb 0.09 -5.21 0.00 0.00 0.02 0.00 0.00 34.50 29.40 3gtj s PRO 400 CO 0.54 -3.90 0.00 0.41 -0.33 0.00 0.00 177.00 173.72 3gtj n GLY 401 N 6.00 3.86 3.64 0.52 0.00 -1.16 -4.64 105.19 113.41 3gtj n GLY 401 Ca 0.44 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.82 3gtj n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtj s ALA 402 N -1.91 -2.25 -0.05 4.61 0.00 -1.26 -1.19 121.76 119.71 3gtj s ALA 402 Ca 0.00 2.06 -0.01 0.00 0.00 0.00 0.00 51.96 54.00 3gtj s ALA 402 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 3gtj s ALA 402 CO 0.00 -0.30 0.04 -1.59 0.00 0.00 0.00 175.76 173.91 3gtj s LYS 403 N 0.93 3.02 0.10 0.00 0.00 -1.22 -4.06 119.74 118.52 3gtj s LYS 403 Ca -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 55.97 55.49 3gtj s LYS 403 Cb -0.04 -2.84 0.00 0.00 0.00 0.00 0.00 37.83 34.95 3gtj s LYS 403 CO -0.12 0.68 0.00 0.66 0.00 0.00 0.00 175.35 176.57 3gtj n TYR 404 N 1.73 -0.86 -3.68 1.78 4.02 -1.18 -4.17 117.16 114.81 3gtj n TYR 404 Ca -0.17 0.46 -0.15 0.00 -0.01 0.00 0.00 57.90 58.03 3gtj n TYR 404 Cb 0.53 -1.53 -0.15 0.00 -0.02 0.00 0.00 39.34 38.18 3gtj n TYR 404 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3gtj s VAL 405 N -2.17 -0.26 -0.27 -0.72 1.01 -1.08 -2.71 120.40 114.21 3gtj s VAL 405 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 3gtj s VAL 405 Cb 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 3gtj s VAL 405 CO 0.00 0.12 0.18 -0.63 0.00 0.00 0.00 175.10 174.77 3gtj s ILE 406 N 2.09 5.32 0.65 2.22 1.09 0.22 -2.52 121.20 130.26 3gtj s ILE 406 Ca -0.00 0.17 -0.00 0.00 -1.10 0.00 0.00 60.65 59.72 3gtj s ILE 406 Cb -0.12 -3.52 0.08 0.00 -1.06 0.00 0.00 42.46 37.85 3gtj s ILE 406 CO -0.07 0.28 0.90 -0.13 -0.10 0.00 0.00 174.94 175.82 3gtj s ARG 407 N 1.54 2.09 0.14 2.79 0.52 -1.23 -1.52 118.95 123.27 3gtj s ARG 407 Ca 0.07 -0.92 -0.20 0.00 -0.52 0.00 0.00 55.73 54.16 3gtj s ARG 407 Cb -0.15 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 32.93 3gtj s ARG 407 CO 0.09 -1.12 1.68 -0.44 0.02 0.00 0.00 175.30 175.54 3gtj h ASP 408 N -0.27 -0.33 0.33 0.23 3.45 -1.94 -2.29 116.42 115.60 3gtj h ASP 408 Ca -0.39 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.15 3gtj h ASP 408 Cb 1.28 0.19 0.00 0.00 -0.56 0.00 0.00 39.33 40.24 3gtj h ASP 408 CO 0.47 -0.12 0.00 -1.20 -1.57 0.00 0.00 179.24 176.81 3gtj n SER 409 N -5.26 0.00 -0.24 6.45 7.64 -1.26 -4.88 113.62 116.07 3gtj n SER 409 Ca -0.01 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.65 3gtj n SER 409 Cb 0.18 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3gtj n SER 409 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gtj n GLY 410 N 0.63 0.99 3.96 0.23 0.00 -0.86 -5.09 105.19 105.05 3gtj n GLY 410 Ca 0.13 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 3gtj n GLY 410 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gtj s ASP 411 N -2.57 5.40 -0.32 1.61 1.01 -1.26 -4.91 116.67 115.64 3gtj s ASP 411 Ca 0.00 0.11 -0.01 0.00 0.71 0.00 0.00 52.55 53.36 3gtj s ASP 411 Cb 0.00 -1.08 0.11 0.00 1.01 0.00 0.00 42.92 42.95 3gtj s ASP 411 CO 0.00 -1.05 0.13 -0.60 0.21 0.00 0.00 175.17 173.86 3gtj s ARG 412 N -4.74 0.64 -0.63 8.23 3.52 -1.26 -3.54 118.95 121.16 3gtj s ARG 412 Ca 0.55 -1.07 -0.24 0.00 -0.13 0.00 0.00 55.73 54.84 3gtj s ARG 412 Cb -0.10 -1.77 0.05 0.00 -1.56 0.00 0.00 34.95 31.57 3gtj s ARG 412 CO 0.39 -1.03 1.00 0.42 -0.81 0.00 0.00 175.30 175.26 3gtj s ILE 413 N 1.54 4.27 -0.46 4.11 1.09 -1.05 -4.88 121.20 125.82 3gtj s ILE 413 Ca 0.11 -0.03 -0.29 0.00 -1.10 0.00 0.00 60.65 59.34 3gtj s ILE 413 Cb -0.18 -4.66 0.02 0.00 -1.06 0.00 0.00 42.46 36.57 3gtj s ILE 413 CO -0.23 -1.39 1.28 -0.62 -0.10 0.00 0.00 174.94 173.89 3gtj s ASP 414 N 3.39 6.45 0.00 3.58 -1.08 -1.26 -2.64 116.67 125.12 3gtj s ASP 414 Ca 0.27 0.58 0.22 0.00 -0.52 0.00 0.00 52.55 53.09 3gtj s ASP 414 Cb -0.14 -2.55 1.30 0.00 -1.46 0.00 0.00 42.92 40.07 3gtj s ASP 414 CO 0.14 -1.39 1.77 0.18 0.52 0.00 0.00 175.17 176.40 3gtj n LEU 415 N 8.45 0.00 0.06 -1.34 4.77 -1.26 -2.88 117.00 124.79 3gtj n LEU 415 Ca 0.14 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.25 3gtj n LEU 415 Cb 0.49 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.96 3gtj n LEU 415 CO 0.71 0.00 0.75 -1.14 -1.33 0.00 0.00 177.39 176.38 3gtj n ARG 416 N -0.88 0.18 0.00 3.23 0.63 -1.26 -4.70 116.66 113.86 3gtj n ARG 416 Ca 0.16 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 3gtj n ARG 416 Cb 0.07 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.30 3gtj n ARG 416 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3gtj n TYR 417 N -1.98 0.00 -1.29 -0.14 4.02 -1.14 -5.14 117.16 111.48 3gtj n TYR 417 Ca 0.05 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.10 3gtj n TYR 417 Cb 0.40 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.66 3gtj n TYR 417 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3gtj n SER 418 N 0.00 -7.15 -0.02 7.72 3.41 -1.26 -4.45 113.62 111.87 3gtj n SER 418 Ca 0.00 0.89 -0.20 0.00 -0.26 0.00 0.00 58.87 59.29 3gtj n SER 418 Cb 0.00 -4.18 -0.14 0.00 -0.26 0.00 0.00 64.21 59.63 3gtj n SER 418 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3gtj n LYS 419 N -3.93 0.74 -0.95 4.33 2.85 -1.26 -4.40 118.16 115.55 3gtj n LYS 419 Ca -0.04 0.24 -0.19 0.00 -1.05 0.00 0.00 58.31 57.28 3gtj n LYS 419 Cb 0.65 -1.68 0.12 0.00 -0.65 0.00 0.00 35.03 33.47 3gtj n LYS 419 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3gtj n ARG 420 N -3.43 1.98 0.20 -1.58 1.74 -1.26 -4.42 116.66 109.90 3gtj n ARG 420 Ca -0.34 -2.27 0.09 0.00 -0.77 0.00 0.00 57.85 54.56 3gtj n ARG 420 Cb 1.04 -1.89 0.35 0.00 -1.02 0.00 0.00 32.46 30.94 3gtj n ARG 420 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gtj h ALA 421 N 1.35 0.95 0.00 7.54 0.00 -1.78 -3.06 119.26 124.26 3gtj h ALA 421 Ca 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3gtj h ALA 421 Cb 2.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 3gtj h ALA 421 CO 0.89 0.34 -1.51 0.41 0.00 0.00 0.00 179.25 179.38 3gtj n GLY 422 N 0.43 -1.23 0.00 0.00 0.00 -1.26 -4.76 105.19 98.36 3gtj n GLY 422 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3gtj n GLY 422 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gtj n ASP 423 N -2.55 0.00 0.00 1.61 2.03 -1.15 -4.98 116.55 111.51 3gtj n ASP 423 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 3gtj n ASP 423 Cb 0.63 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 3gtj n ASP 423 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gtj n ILE 424 N 0.00 0.00 -3.78 5.18 3.06 -1.25 -4.96 119.36 117.61 3gtj n ILE 424 Ca 0.00 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.88 3gtj n ILE 424 Cb 0.00 0.00 -0.12 0.00 0.54 0.00 0.00 39.64 40.06 3gtj n ILE 424 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 3gtj s GLN 425 N -4.34 2.25 -0.22 9.51 -1.52 -1.26 -5.07 119.66 119.00 3gtj s GLN 425 Ca 0.00 -1.58 -0.29 0.00 -1.95 0.00 0.00 55.36 51.54 3gtj s GLN 425 Cb 0.00 -3.51 -0.02 0.00 -0.22 0.00 0.00 33.01 29.26 3gtj s GLN 425 CO 0.00 -0.92 1.50 -0.51 -0.25 0.00 0.00 175.29 175.11 3gtj s LEU 426 N 1.23 3.96 0.47 2.90 1.43 -1.26 -5.03 118.68 122.39 3gtj s LEU 426 Ca 0.03 1.57 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 3gtj s LEU 426 Cb -0.22 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3gtj s LEU 426 CO -0.02 -1.13 0.38 0.00 0.23 0.00 0.00 176.35 175.81 3gtj s GLN 427 N 4.36 2.37 0.41 1.70 0.00 -1.26 -5.07 119.66 122.17 3gtj s GLN 427 Ca 0.66 -1.77 -0.25 0.00 -0.00 0.00 0.00 55.36 53.99 3gtj s GLN 427 Cb -0.23 -2.23 -0.08 0.00 0.00 0.00 0.00 33.01 30.47 3gtj s GLN 427 CO 0.26 -0.38 1.23 0.71 0.00 0.00 0.00 175.29 177.12 3gtj s TYR 428 N -2.62 2.93 0.00 9.60 1.51 -1.26 -3.41 117.35 124.11 3gtj s TYR 428 Ca 0.42 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.97 3gtj s TYR 428 Cb -0.02 -3.53 0.00 0.00 -0.11 0.00 0.00 41.96 38.30 3gtj s TYR 428 CO 0.25 -1.71 0.00 0.41 -1.11 0.00 0.00 175.55 173.39 3gtj n GLY 429 N 0.66 3.46 3.81 0.71 0.00 -1.01 -4.99 105.19 107.82 3gtj n GLY 429 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3gtj n GLY 429 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gtj s TRP 430 N -2.98 2.75 0.02 1.61 0.52 -1.22 -4.75 118.94 114.89 3gtj s TRP 430 Ca 0.00 1.00 0.07 0.00 0.02 0.00 0.00 56.10 57.20 3gtj s TRP 430 Cb 0.00 -3.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.05 3gtj s TRP 430 CO 0.00 -1.96 -0.22 0.15 0.02 0.00 0.00 176.95 174.94 3gtj s LYS 431 N -5.24 1.59 -0.10 4.98 1.02 -0.57 -0.51 119.74 120.90 3gtj s LYS 431 Ca 0.62 -0.91 -0.00 0.00 0.02 0.00 0.00 55.97 55.70 3gtj s LYS 431 Cb -0.14 -1.65 -0.02 0.00 -0.52 0.00 0.00 37.83 35.49 3gtj s LYS 431 CO 0.53 0.43 -0.09 0.08 -0.92 0.00 0.00 175.35 175.39 3gtj s VAL 432 N -0.69 3.46 -1.16 3.17 1.01 0.09 -0.61 120.40 125.67 3gtj s VAL 432 Ca 0.08 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 3gtj s VAL 432 Cb -0.09 -2.44 0.24 0.00 0.00 0.00 0.00 36.38 34.09 3gtj s VAL 432 CO 0.01 0.55 1.46 -0.62 0.00 0.00 0.00 175.10 176.50 3gtj n GLU 433 N 2.91 3.83 -1.01 2.72 1.02 -1.10 -2.17 120.64 126.84 3gtj n GLU 433 Ca -0.18 -4.17 -0.29 0.00 -0.02 0.00 0.00 57.16 52.50 3gtj n GLU 433 Cb 0.53 -2.72 0.17 0.00 -0.02 0.00 0.00 31.44 29.40 3gtj n GLU 433 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3gtj s ARG 434 N -0.84 0.71 0.81 3.49 1.70 -1.23 -3.41 118.95 120.18 3gtj s ARG 434 Ca 0.35 0.88 -0.11 0.00 -0.47 0.00 0.00 55.73 56.38 3gtj s ARG 434 Cb 0.00 -1.74 0.08 0.00 -0.57 0.00 0.00 34.95 32.72 3gtj s ARG 434 CO 0.01 -2.64 1.09 -1.01 -1.08 0.00 0.00 175.30 171.68 3gtj s HIS 435 N -2.81 2.72 0.10 5.89 3.76 -0.33 -1.58 115.29 123.04 3gtj s HIS 435 Ca 0.65 1.19 -0.30 0.00 -0.15 0.00 0.00 55.06 56.45 3gtj s HIS 435 Cb -0.20 -3.12 -0.06 0.00 1.11 0.00 0.00 32.58 30.31 3gtj s HIS 435 CO 0.59 -1.89 1.18 0.42 -0.85 0.00 0.00 174.74 174.19 3gtj s ILE 436 N -3.10 3.96 0.41 0.60 1.09 -1.09 -4.71 121.20 118.36 3gtj s ILE 436 Ca 0.61 1.48 0.07 0.00 -1.10 0.00 0.00 60.65 61.72 3gtj s ILE 436 Cb -0.15 -3.95 -0.08 0.00 -1.06 0.00 0.00 42.46 37.22 3gtj s ILE 436 CO 0.55 0.16 0.03 -0.04 -0.10 0.00 0.00 174.94 175.53 3gtj s MET 437 N 0.63 1.98 0.58 2.79 -1.94 -1.26 -4.85 119.30 117.23 3gtj s MET 437 Ca 0.56 -2.09 -0.18 0.00 -1.71 0.00 0.00 55.69 52.27 3gtj s MET 437 Cb -0.30 -1.67 -0.07 0.00 2.01 0.00 0.00 34.83 34.80 3gtj s MET 437 CO 0.31 -0.06 0.72 -0.25 -0.01 0.00 0.00 175.02 175.74 3gtj n ASP 438 N -0.99 -0.24 -3.18 3.03 9.92 -1.26 -3.83 116.55 120.00 3gtj n ASP 438 Ca -0.05 0.77 -0.14 0.00 -0.53 0.00 0.00 54.79 54.84 3gtj n ASP 438 Cb 0.67 -1.27 0.01 0.00 -0.64 0.00 0.00 41.12 39.89 3gtj n ASP 438 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3gtj n ASN 439 N -0.06 -6.98 -4.13 -2.24 3.02 0.46 -4.86 115.26 100.48 3gtj n ASN 439 Ca 0.13 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.59 3gtj n ASN 439 Cb 0.47 -4.10 -0.10 0.00 -0.61 0.00 0.00 39.78 35.45 3gtj n ASN 439 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3gtj s ASP 440 N -2.56 0.73 -0.37 6.41 1.11 -1.25 -4.82 116.67 115.92 3gtj s ASP 440 Ca 0.17 -1.04 -0.29 0.00 0.18 0.00 0.00 52.55 51.57 3gtj s ASP 440 Cb -0.03 0.17 0.00 0.00 1.07 0.00 0.00 42.92 44.13 3gtj s ASP 440 CO 0.80 -0.57 1.51 -2.84 1.18 0.00 0.00 175.17 175.25 3gtj s PRO 441 N -3.91 3.56 -0.03 8.23 0.02 -1.26 -3.27 135.00 138.34 3gtj s PRO 441 Ca 0.12 1.12 0.04 0.00 0.02 0.00 0.00 61.00 62.29 3gtj s PRO 441 Cb 0.07 -4.05 -0.00 0.00 0.02 0.00 0.00 34.50 30.53 3gtj s PRO 441 CO -0.06 -1.58 -0.14 0.14 -0.33 0.00 0.00 177.00 175.03 3gtj s VAL 442 N 5.67 1.19 -0.14 3.83 -7.23 -1.05 -4.38 120.40 118.29 3gtj s VAL 442 Ca 0.66 -0.59 -0.16 0.00 -1.81 0.00 0.00 61.98 60.08 3gtj s VAL 442 Cb -0.17 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 3gtj s VAL 442 CO 0.32 0.35 0.39 -0.22 -0.31 0.00 0.00 175.10 175.63 3gtj s LEU 443 N 0.07 4.26 -0.36 1.32 0.20 -0.88 -1.02 118.68 122.26 3gtj s LEU 443 Ca -0.03 0.66 -0.00 0.00 0.69 0.00 0.00 54.13 55.45 3gtj s LEU 443 Cb -0.10 -2.54 0.13 0.00 -0.43 0.00 0.00 46.19 43.25 3gtj s LEU 443 CO 0.01 0.05 0.19 0.12 -0.29 0.00 0.00 176.35 176.43 3gtj s PHE 444 N 0.56 1.12 0.50 5.38 5.36 0.27 -0.17 117.98 131.01 3gtj s PHE 444 Ca 0.21 -1.74 0.07 0.00 -0.96 0.00 0.00 56.93 54.51 3gtj s PHE 444 Cb -0.14 -1.27 0.02 0.00 -0.34 0.00 0.00 43.02 41.29 3gtj s PHE 444 CO 0.07 -0.82 0.44 0.54 -1.46 0.00 0.00 175.22 173.99 3gtj s ASN 445 N 1.10 4.83 -0.16 6.13 4.22 -1.13 -3.69 114.94 126.25 3gtj s ASN 445 Ca 0.16 -1.02 -0.07 0.00 -2.14 0.00 0.00 52.86 49.79 3gtj s ASN 445 Cb -0.22 0.04 0.07 0.00 1.28 0.00 0.00 41.25 42.42 3gtj s ASN 445 CO -0.08 -0.97 0.36 -0.60 -2.04 0.00 0.00 177.10 173.77 3gtj s ARG 446 N -4.27 0.29 0.35 3.55 3.52 -1.20 -1.56 118.95 119.63 3gtj s ARG 446 Ca 0.43 0.83 -0.12 0.00 -0.13 0.00 0.00 55.73 56.73 3gtj s ARG 446 Cb -0.03 0.08 -0.08 0.00 -1.56 0.00 0.00 34.95 33.36 3gtj s ARG 446 CO 0.26 -0.22 0.73 -0.65 -0.81 0.00 0.00 175.30 174.61 3gtj s GLN 447 N 2.00 3.88 -0.10 5.12 1.11 -1.26 -3.60 119.66 126.81 3gtj s GLN 447 Ca -0.05 0.54 -0.30 0.00 0.01 0.00 0.00 55.36 55.56 3gtj s GLN 447 Cb -0.11 -2.44 -0.02 0.00 -1.01 0.00 0.00 33.01 29.44 3gtj s GLN 447 CO -0.11 0.09 1.11 -2.14 0.01 0.00 0.00 175.29 174.25 3gtj s PRO 448 N -3.33 4.36 -0.88 2.91 0.02 -1.26 -5.09 135.00 131.73 3gtj s PRO 448 Ca 0.52 1.52 -0.24 0.00 0.02 0.00 0.00 61.00 62.82 3gtj s PRO 448 Cb -0.10 -3.58 0.05 0.00 0.02 0.00 0.00 34.50 30.89 3gtj s PRO 448 CO 0.24 -0.43 1.32 -1.54 -0.33 0.00 0.00 177.00 176.26 3gtj s SER 449 N 1.33 6.36 -0.22 2.53 1.04 -1.24 -4.86 113.70 118.65 3gtj s SER 449 Ca 0.51 -1.09 0.11 0.00 0.48 0.00 0.00 55.95 55.95 3gtj s SER 449 Cb -0.21 -2.54 0.43 0.00 0.10 0.00 0.00 66.02 63.80 3gtj s SER 449 CO 0.18 -1.59 1.22 0.00 0.98 0.00 0.00 173.24 174.03 3gtj n LEU 450 N 8.79 2.97 -4.05 2.42 -0.00 -1.26 -5.04 117.00 120.82 3gtj n LEU 450 Ca 0.18 -3.99 -0.10 0.00 -0.00 0.00 0.00 56.01 52.10 3gtj n LEU 450 Cb 0.50 -0.52 -0.06 0.00 -0.00 0.00 0.00 43.42 43.34 3gtj n LEU 450 CO 0.66 1.47 0.08 -1.00 -0.00 0.00 0.00 177.39 178.61 3gtj s HIS 451 N -3.28 0.63 0.02 1.47 3.76 -1.26 -4.65 115.29 111.98 3gtj s HIS 451 Ca 0.39 -0.95 -0.19 0.00 -0.15 0.00 0.00 55.06 54.17 3gtj s HIS 451 Cb 0.38 -0.01 -0.22 0.00 1.11 0.00 0.00 32.58 33.83 3gtj s HIS 451 CO -0.06 -0.94 1.14 1.57 -0.85 0.00 0.00 174.74 175.60 3gtj h LYS 452 N 2.32 0.45 0.00 1.40 2.10 -1.96 -3.34 116.57 117.54 3gtj h LYS 452 Ca -0.29 -0.45 0.00 0.00 -2.00 0.00 0.00 60.65 57.91 3gtj h LYS 452 Cb 1.25 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 3gtj h LYS 452 CO 0.40 1.10 0.10 -1.33 -2.00 0.00 0.00 179.45 177.72 3gtj n MET 453 N -4.20 0.05 0.24 0.07 2.81 -1.26 0.18 117.12 115.01 3gtj n MET 453 Ca -0.10 0.50 0.13 0.00 -1.81 0.00 0.00 57.70 56.42 3gtj n MET 453 Cb 0.67 -1.78 0.47 0.00 -0.71 0.00 0.00 33.22 31.86 3gtj n MET 453 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 3gtj h SER 454 N 0.00 0.00 -3.86 7.83 0.02 -1.69 -3.39 113.55 112.46 3gtj h SER 454 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 3gtj h SER 454 Cb 0.20 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.37 3gtj h SER 454 CO 0.00 0.11 -0.79 -0.04 -1.14 0.00 0.00 176.83 174.97 3gtj s MET 455 N -3.53 2.19 0.11 3.45 -1.94 0.13 -3.24 119.30 116.47 3gtj s MET 455 Ca 0.02 -1.39 0.04 0.00 -1.71 0.00 0.00 55.69 52.65 3gtj s MET 455 Cb 0.09 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 33.97 3gtj s MET 455 CO 0.61 -0.60 -0.10 -1.64 -0.01 0.00 0.00 175.02 173.29 3gtj s MET 456 N 1.09 0.91 0.08 2.03 1.00 -1.24 -4.94 119.30 118.23 3gtj s MET 456 Ca -0.07 -1.28 -0.23 0.00 0.00 0.00 0.00 55.69 54.11 3gtj s MET 456 Cb -0.20 -0.51 -0.06 0.00 0.00 0.00 0.00 34.83 34.05 3gtj s MET 456 CO -0.05 0.06 0.70 0.00 0.00 0.00 0.00 175.02 175.73 3gtj s ALA 457 N -2.90 3.46 0.41 3.03 0.00 -0.26 -0.56 121.76 124.93 3gtj s ALA 457 Ca 0.10 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.31 3gtj s ALA 457 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 3gtj s ALA 457 CO -0.01 0.23 0.06 -1.01 0.00 0.00 0.00 175.76 175.03 3gtj s HIS 458 N -0.65 1.97 -0.08 0.00 3.76 -0.19 -3.14 115.29 116.96 3gtj s HIS 458 Ca 0.34 -1.01 -0.01 0.00 -0.15 0.00 0.00 55.06 54.23 3gtj s HIS 458 Cb -0.21 -1.41 -0.03 0.00 1.11 0.00 0.00 32.58 32.04 3gtj s HIS 458 CO 0.22 0.04 -0.02 1.03 -0.85 0.00 0.00 174.74 175.16 3gtj s ARG 459 N -3.80 2.93 0.14 1.40 0.52 0.21 -2.52 118.95 117.83 3gtj s ARG 459 Ca 0.24 -0.46 -0.28 0.00 -0.52 0.00 0.00 55.73 54.72 3gtj s ARG 459 Cb 0.05 -2.73 -0.07 0.00 0.52 0.00 0.00 34.95 32.72 3gtj s ARG 459 CO 0.12 0.68 0.88 0.08 0.02 0.00 0.00 175.30 177.08 3gtj s VAL 460 N -0.82 4.41 -0.29 3.52 1.01 -1.20 -2.06 120.40 124.96 3gtj s VAL 460 Ca 0.12 1.92 -0.02 0.00 0.00 0.00 0.00 61.98 64.01 3gtj s VAL 460 Cb -0.11 -4.25 0.10 0.00 0.00 0.00 0.00 36.38 32.11 3gtj s VAL 460 CO 0.02 0.42 0.10 -0.75 0.00 0.00 0.00 175.10 174.88 3gtj s LYS 461 N -0.55 0.61 0.24 2.72 2.47 -0.88 -0.40 119.74 123.95 3gtj s LYS 461 Ca 0.41 -0.90 -0.31 0.00 -1.56 0.00 0.00 55.97 53.62 3gtj s LYS 461 Cb -0.23 -1.84 -0.11 0.00 -1.46 0.00 0.00 37.83 34.18 3gtj s LYS 461 CO 0.28 -0.95 1.57 0.08 0.16 0.00 0.00 175.35 176.49 3gtj s VAL 462 N 1.73 2.34 0.18 4.02 1.01 -1.26 -3.20 120.40 125.22 3gtj s VAL 462 Ca 0.08 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.34 3gtj s VAL 462 Cb -0.17 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 3gtj s VAL 462 CO -0.26 0.03 0.02 0.27 0.00 0.00 0.00 175.10 175.17 3gtj s ILE 463 N 0.47 0.59 0.79 2.22 -5.25 -1.06 -4.91 121.20 114.05 3gtj s ILE 463 Ca 0.66 -1.98 -0.13 0.00 -0.99 0.00 0.00 60.65 58.21 3gtj s ILE 463 Cb -0.46 -2.19 0.20 0.00 2.95 0.00 0.00 42.46 42.96 3gtj s ILE 463 CO 0.40 -0.40 0.62 -2.65 -1.79 0.00 0.00 174.94 171.12 3gtj n PRO 464 N -0.26 -2.79 0.00 0.37 -0.02 -1.26 -1.56 135.00 129.48 3gtj n PRO 464 Ca -0.05 -1.00 0.00 0.00 -2.02 0.00 0.00 63.50 60.43 3gtj n PRO 464 Cb 0.64 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 3gtj n PRO 464 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gtj n TYR 465 N -4.20 -1.06 -1.21 6.00 4.02 -1.26 -4.72 117.16 114.73 3gtj n TYR 465 Ca 0.09 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.00 3gtj n TYR 465 Cb 0.36 0.18 0.02 0.00 -0.02 0.00 0.00 39.34 39.89 3gtj n TYR 465 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3gtj n SER 466 N -3.17 0.68 -4.94 7.72 3.41 -1.26 -4.59 113.62 111.46 3gtj n SER 466 Ca 0.00 -1.84 -0.25 0.00 -0.26 0.00 0.00 58.87 56.52 3gtj n SER 466 Cb 0.00 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 63.79 3gtj n SER 466 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gtj s THR 467 N -0.61 5.20 -0.11 6.66 -4.23 -1.26 -4.74 115.64 116.55 3gtj s THR 467 Ca 0.05 -0.57 -0.23 0.00 -1.18 0.00 0.00 61.69 59.76 3gtj s THR 467 Cb 0.04 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.06 3gtj s THR 467 CO 0.00 -0.30 0.71 -0.36 -0.54 0.00 0.00 174.62 174.14 3gtj s PHE 468 N -1.99 3.51 0.05 3.99 0.40 -0.81 -4.21 117.98 118.92 3gtj s PHE 468 Ca 0.37 1.20 0.05 0.00 -0.60 0.00 0.00 56.93 57.95 3gtj s PHE 468 Cb -0.10 -2.84 -0.04 0.00 0.51 0.00 0.00 43.02 40.55 3gtj s PHE 468 CO 0.31 -0.02 -0.07 1.03 0.70 0.00 0.00 175.22 177.17 3gtj s ARG 469 N 1.23 2.41 0.20 0.44 0.52 -1.04 -1.89 118.95 120.82 3gtj s ARG 469 Ca 0.36 -0.84 -0.16 0.00 -0.52 0.00 0.00 55.73 54.57 3gtj s ARG 469 Cb -0.17 -2.44 0.02 0.00 0.52 0.00 0.00 34.95 32.87 3gtj s ARG 469 CO 0.16 0.56 0.49 -0.48 0.02 0.00 0.00 175.30 176.04 3gtj s LEU 470 N -1.83 0.25 -0.03 2.53 0.05 -0.97 0.85 118.68 119.52 3gtj s LEU 470 Ca 0.20 -0.62 -0.30 0.00 0.05 0.00 0.00 54.13 53.46 3gtj s LEU 470 Cb -0.11 1.96 -0.04 0.00 -2.05 0.00 0.00 46.19 45.94 3gtj s LEU 470 CO 0.11 -1.05 1.25 0.21 -0.55 0.00 0.00 176.35 176.32 3gtj s ASN 471 N -2.91 7.00 0.38 1.48 2.47 -1.26 -2.22 114.94 119.88 3gtj s ASN 471 Ca 0.13 1.91 0.22 0.00 0.42 0.00 0.00 52.86 55.54 3gtj s ASN 471 Cb -0.00 -2.56 1.33 0.00 -1.45 0.00 0.00 41.25 38.56 3gtj s ASN 471 CO -0.00 -0.60 1.60 -0.07 -3.72 0.00 0.00 177.10 174.30 3gtj h LEU 472 N 8.06 0.34 -0.38 3.21 3.38 -1.95 0.47 115.31 128.44 3gtj h LEU 472 Ca -0.36 0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3gtj h LEU 472 Cb 1.17 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3gtj h LEU 472 CO 0.88 -0.34 0.00 -1.20 0.09 0.00 0.00 178.44 177.87 3gtj n SER 473 N -5.11 0.56 -1.40 -0.43 7.64 -1.26 -1.64 113.62 111.98 3gtj n SER 473 Ca 0.37 -1.94 0.08 0.00 1.01 0.00 0.00 58.87 58.39 3gtj n SER 473 Cb 1.28 -0.07 0.33 0.00 -1.01 0.00 0.00 64.21 64.74 3gtj n SER 473 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3gtj n VAL 474 N -0.22 2.36 0.00 0.44 3.14 0.17 -4.17 118.33 120.05 3gtj n VAL 474 Ca 0.05 -1.54 -0.13 0.00 -2.96 0.00 0.00 64.34 59.76 3gtj n VAL 474 Cb 0.10 -0.17 -0.10 0.00 -1.06 0.00 0.00 33.84 32.61 3gtj n VAL 474 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 3gtj h THR 475 N 3.07 1.31 -0.36 1.55 2.02 -1.42 -3.38 112.91 115.69 3gtj h THR 475 Ca 0.00 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.12 3gtj h THR 475 Cb 1.64 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 70.02 3gtj h THR 475 CO 0.33 0.26 0.07 0.28 0.37 0.00 0.00 175.52 176.83 3gtj h SER 476 N -0.47 0.57 0.14 4.18 0.02 -1.82 -1.77 113.55 114.41 3gtj h SER 476 Ca -0.00 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 3gtj h SER 476 Cb 0.45 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 3gtj h SER 476 CO 0.00 0.67 -0.07 -0.65 -1.14 0.00 0.00 176.83 175.65 3gtj h PRO 477 N 0.44 0.00 0.00 3.45 0.11 -1.77 -2.76 132.00 131.47 3gtj h PRO 477 Ca 0.11 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.01 3gtj h PRO 477 Cb 0.34 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 3gtj h PRO 477 CO 0.01 0.07 -1.47 1.88 -0.21 0.00 0.00 178.00 178.27 3gtj h TYR 478 N 0.00 0.00 -0.61 0.65 -1.99 -1.71 -3.34 116.97 109.97 3gtj h TYR 478 Ca -0.00 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.57 3gtj h TYR 478 Cb 0.16 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.84 3gtj h TYR 478 CO 0.00 0.74 -0.16 -1.71 -0.00 0.00 0.00 178.16 177.02 3gtj n ASN 479 N -2.97 -3.57 -4.83 3.88 5.15 -0.69 -4.94 115.26 107.30 3gtj n ASN 479 Ca -0.11 0.13 -0.31 0.00 -0.60 0.00 0.00 54.58 53.69 3gtj n ASN 479 Cb 0.91 -2.12 0.05 0.00 -0.53 0.00 0.00 39.78 38.10 3gtj n ASN 479 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gtj s ALA 480 N -2.32 2.67 0.25 5.20 0.00 -1.07 -5.02 121.76 121.46 3gtj s ALA 480 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 3gtj s ALA 480 Cb 0.00 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 20.01 3gtj s ALA 480 CO 0.00 -1.26 0.35 -0.40 0.00 0.00 0.00 175.76 174.45 3gtj n ASP 481 N -3.13 -0.97 -1.01 0.00 3.85 -1.26 -4.81 116.55 109.21 3gtj n ASP 481 Ca 0.07 -2.38 -0.02 0.00 -0.71 0.00 0.00 54.79 51.75 3gtj n ASP 481 Cb 0.55 1.82 0.18 0.00 -1.35 0.00 0.00 41.12 42.32 3gtj n ASP 481 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3gtj n PHE 482 N -0.42 0.78 -0.02 2.11 3.01 -1.26 -4.38 117.46 117.27 3gtj n PHE 482 Ca 0.01 -1.66 -0.08 0.00 1.01 0.00 0.00 57.45 56.73 3gtj n PHE 482 Cb 0.42 -0.37 0.11 0.00 -0.01 0.00 0.00 39.48 39.63 3gtj n PHE 482 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3gtj n ASP 483 N -1.07 3.34 0.00 4.37 3.85 -1.26 -4.75 116.55 121.02 3gtj n ASP 483 Ca 0.28 -2.69 0.00 0.00 -0.71 0.00 0.00 54.79 51.67 3gtj n ASP 483 Cb 0.85 -0.64 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 3gtj n ASP 483 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gtj n GLY 484 N -0.15 1.40 3.75 6.12 0.00 -1.26 -5.09 105.19 109.96 3gtj n GLY 484 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3gtj n GLY 484 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gtj s ASP 485 N -2.00 7.17 0.31 1.61 -0.00 -1.26 -4.91 116.67 117.59 3gtj s ASP 485 Ca 0.00 2.29 0.03 0.00 -0.00 0.00 0.00 52.55 54.87 3gtj s ASP 485 Cb 0.00 -2.62 -0.03 0.00 -0.00 0.00 0.00 42.92 40.27 3gtj s ASP 485 CO 0.00 -0.25 0.48 -1.61 -0.00 0.00 0.00 175.17 173.79 3gtj s GLU 486 N -1.05 3.40 0.06 8.23 2.02 -1.26 -2.22 118.70 127.87 3gtj s GLU 486 Ca 0.48 -0.57 -0.00 0.00 0.02 0.00 0.00 54.97 54.89 3gtj s GLU 486 Cb -0.33 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 3gtj s GLU 486 CO 0.41 0.21 -0.04 -1.64 0.02 0.00 0.00 175.26 174.22 3gtj s MET 487 N -4.20 0.65 0.43 1.61 -1.94 -1.02 -4.84 119.30 109.99 3gtj s MET 487 Ca 0.39 -1.23 0.07 0.00 -1.71 0.00 0.00 55.69 53.22 3gtj s MET 487 Cb -0.09 0.12 -0.02 0.00 2.01 0.00 0.00 34.83 36.85 3gtj s MET 487 CO 0.33 -0.09 0.37 -0.80 -0.01 0.00 0.00 175.02 174.82 3gtj s ASN 488 N -2.91 4.94 -0.24 3.03 -0.87 -0.60 -3.12 114.94 115.17 3gtj s ASN 488 Ca 0.07 -0.83 -0.21 0.00 -1.57 0.00 0.00 52.86 50.32 3gtj s ASN 488 Cb 0.07 -0.46 0.06 0.00 -0.02 0.00 0.00 41.25 40.91 3gtj s ASN 488 CO -0.09 -0.69 0.64 -0.22 -2.57 0.00 0.00 177.10 174.17 3gtj s LEU 489 N -4.13 -0.48 -0.05 0.60 0.20 -1.23 -2.82 118.68 110.77 3gtj s LEU 489 Ca 0.46 1.30 0.03 0.00 0.69 0.00 0.00 54.13 56.61 3gtj s LEU 489 Cb -0.02 2.19 0.01 0.00 -0.43 0.00 0.00 46.19 47.93 3gtj s LEU 489 CO 0.27 -0.22 -0.12 -1.00 -0.29 0.00 0.00 176.35 174.98 3gtj s HIS 490 N 0.48 1.39 -0.26 5.38 3.76 0.76 -2.43 115.29 124.37 3gtj s HIS 490 Ca -0.01 -0.46 -0.06 0.00 -0.15 0.00 0.00 55.06 54.38 3gtj s HIS 490 Cb -0.05 -1.00 -0.00 0.00 1.11 0.00 0.00 32.58 32.64 3gtj s HIS 490 CO -0.01 -0.22 0.04 0.08 -0.85 0.00 0.00 174.74 173.77 3gtj s VAL 491 N 0.46 3.79 0.72 -0.90 1.01 -0.89 -2.08 120.40 122.51 3gtj s VAL 491 Ca -0.10 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 3gtj s VAL 491 Cb -0.14 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.39 3gtj s VAL 491 CO 0.03 0.22 1.04 -0.81 0.00 0.00 0.00 175.10 175.58 3gtj n PRO 492 N 4.84 0.54 0.00 2.72 -0.04 -1.26 -4.90 135.00 136.90 3gtj n PRO 492 Ca -0.16 0.24 0.01 0.00 -0.04 0.00 0.00 63.50 63.56 3gtj n PRO 492 Cb 0.49 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3gtj n PRO 492 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3gtj n GLN 493 N -2.06 1.80 -4.10 0.54 1.13 -1.26 -4.88 117.38 108.54 3gtj n GLN 493 Ca 0.13 -0.43 -0.14 0.00 -1.94 0.00 0.00 57.00 54.62 3gtj n GLN 493 Cb 0.49 -0.90 -0.12 0.00 0.11 0.00 0.00 30.24 29.82 3gtj n GLN 493 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3gtj s SER 494 N -0.60 0.97 0.19 1.08 1.04 -1.26 -4.67 113.70 110.46 3gtj s SER 494 Ca 0.03 -0.51 -0.11 0.00 0.48 0.00 0.00 55.95 55.84 3gtj s SER 494 Cb 0.02 0.01 0.20 0.00 0.10 0.00 0.00 66.02 66.35 3gtj s SER 494 CO 0.06 -0.15 1.77 -0.33 0.98 0.00 0.00 173.24 175.57 3gtj h GLU 495 N 4.65 0.47 -1.00 4.02 4.39 -1.96 0.32 114.58 125.47 3gtj h GLU 495 Ca -0.36 -0.03 0.21 0.00 0.34 0.00 0.00 59.36 59.53 3gtj h GLU 495 Cb 1.20 -0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 29.64 3gtj h GLU 495 CO 0.42 0.31 0.61 0.93 -1.16 0.00 0.00 179.01 180.12 3gtj h GLU 496 N 0.48 0.64 0.03 2.33 5.08 -1.99 0.78 114.58 121.93 3gtj h GLU 496 Ca 0.26 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3gtj h GLU 496 Cb 0.24 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.35 3gtj h GLU 496 CO -0.22 0.42 -0.25 1.15 -1.00 0.00 0.00 179.01 179.11 3gtj h THR 497 N 0.66 1.66 -0.65 1.13 2.02 -1.70 -2.20 112.91 113.83 3gtj h THR 497 Ca 0.59 -2.27 0.11 0.00 0.77 0.00 0.00 66.41 65.61 3gtj h THR 497 Cb 1.06 3.18 -0.12 0.00 -1.74 0.00 0.00 68.15 70.53 3gtj h THR 497 CO -0.39 0.61 -0.37 0.03 0.37 0.00 0.00 175.52 175.77 3gtj h ARG 498 N -0.72 -0.15 -0.22 6.66 3.08 0.07 0.63 114.38 123.72 3gtj h ARG 498 Ca -0.04 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3gtj h ARG 498 Cb 1.14 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.18 3gtj h ARG 498 CO 0.05 -0.10 -0.10 0.00 -1.07 0.00 0.00 179.97 178.75 3gtj h ALA 499 N 0.94 0.09 0.00 0.04 0.00 -0.93 -2.37 119.26 117.03 3gtj h ALA 499 Ca 0.23 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3gtj h ALA 499 Cb 0.56 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3gtj h ALA 499 CO -0.73 -0.52 0.00 -1.91 0.00 0.00 0.00 179.25 176.09 3gtj n GLU 500 N -5.26 0.06 -0.03 0.00 2.13 -0.02 -0.83 120.64 116.69 3gtj n GLU 500 Ca -0.02 0.44 -0.21 0.00 0.66 0.00 0.00 57.16 58.04 3gtj n GLU 500 Cb 0.18 -1.65 -0.13 0.00 0.27 0.00 0.00 31.44 30.11 3gtj n GLU 500 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3gtj h LEU 501 N 0.00 0.23 -3.21 4.31 3.38 -0.44 -3.38 115.31 116.20 3gtj h LEU 501 Ca 0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.19 3gtj h LEU 501 Cb 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3gtj h LEU 501 CO 0.00 1.54 0.00 -1.54 0.09 0.00 0.00 178.44 178.53 3gtj n SER 502 N -4.11 5.09 0.00 -0.43 3.41 -0.01 -1.70 113.62 115.87 3gtj n SER 502 Ca -0.26 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 3gtj n SER 502 Cb 0.80 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3gtj n SER 502 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtj n GLN 503 N 0.62 3.03 0.00 4.33 1.13 -0.67 -4.72 117.38 121.10 3gtj n GLN 503 Ca 0.24 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 3gtj n GLN 503 Cb 1.05 -0.66 0.00 0.00 0.11 0.00 0.00 30.24 30.74 3gtj n GLN 503 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3gtj n LEU 504 N -0.94 0.85 0.01 1.08 4.32 -1.25 -4.85 117.00 116.21 3gtj n LEU 504 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 56.01 56.11 3gtj n LEU 504 Cb 0.00 0.00 0.25 0.00 -1.62 0.00 0.00 43.42 42.05 3gtj n LEU 504 CO 0.00 0.13 0.44 0.00 -1.22 0.00 0.00 177.39 176.74 3gtj n ALA 506 N -1.54 0.89 -0.31 0.00 0.00 -0.71 -1.11 120.51 117.73 3gtj n ALA 506 Ca 0.05 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.85 3gtj n ALA 506 Cb 0.35 -2.23 0.08 0.00 0.00 0.00 0.00 19.45 17.65 3gtj n ALA 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gtj h VAL 507 N 2.79 1.25 -0.63 0.00 2.07 -1.90 -2.65 116.25 117.17 3gtj h VAL 507 Ca -0.45 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3gtj h VAL 507 Cb 1.29 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3gtj h VAL 507 CO 0.70 0.28 0.34 -0.65 0.02 0.00 0.00 177.57 178.27 3gtj h PRO 508 N 1.18 0.87 -0.72 1.57 0.11 -1.90 -1.34 132.00 131.77 3gtj h PRO 508 Ca 0.30 -0.09 0.11 0.00 0.11 0.00 0.00 66.00 66.42 3gtj h PRO 508 Cb 0.05 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 30.94 3gtj h PRO 508 CO -0.05 0.64 0.47 -0.07 -0.21 0.00 0.00 178.00 178.79 3gtj h LEU 509 N 0.88 0.49 -0.19 2.35 3.38 -1.84 -2.33 115.31 118.05 3gtj h LEU 509 Ca 0.22 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3gtj h LEU 509 Cb 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gtj h LEU 509 CO -0.04 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.78 3gtj n GLN 510 N -4.49 1.12 0.03 1.13 1.13 -0.51 -4.31 117.38 111.48 3gtj n GLN 510 Ca 0.12 -0.19 -0.02 0.00 -1.94 0.00 0.00 57.00 54.98 3gtj n GLN 510 Cb 0.39 -1.05 0.24 0.00 0.11 0.00 0.00 30.24 29.94 3gtj n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3gtj h ILE 511 N 0.31 1.25 -3.51 5.09 2.04 -1.47 -3.39 117.51 117.82 3gtj h ILE 511 Ca 0.00 -1.14 -0.72 0.00 1.00 0.00 0.00 64.86 64.00 3gtj h ILE 511 Cb 0.07 1.28 -0.24 0.00 -0.74 0.00 0.00 36.82 37.19 3gtj h ILE 511 CO 0.00 0.36 -0.46 0.54 0.00 0.00 0.00 178.15 178.59 3gtj s VAL 512 N -4.59 4.79 0.05 1.67 0.11 -1.26 -0.15 120.40 121.02 3gtj s VAL 512 Ca -0.07 -0.92 -0.31 0.00 -2.93 0.00 0.00 61.98 57.76 3gtj s VAL 512 Cb 0.14 -3.74 -0.06 0.00 -1.53 0.00 0.00 36.38 31.20 3gtj s VAL 512 CO 0.78 -0.34 1.31 -0.55 -3.33 0.00 0.00 175.10 172.96 3gtj s SER 513 N 1.81 6.94 0.00 3.54 0.15 0.21 -4.89 113.70 121.46 3gtj s SER 513 Ca 0.03 2.11 0.24 0.00 0.70 0.00 0.00 55.95 59.03 3gtj s SER 513 Cb -0.20 -2.57 1.43 0.00 -1.71 0.00 0.00 66.02 62.96 3gtj s SER 513 CO 0.07 -0.60 1.89 -2.65 1.20 0.00 0.00 173.24 173.15 3gtj n PRO 514 N 4.45 0.95 -0.03 5.44 -0.02 -1.26 -3.79 135.00 140.74 3gtj n PRO 514 Ca 0.11 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3gtj n PRO 514 Cb 0.44 -1.39 -0.00 0.00 -0.02 0.00 0.00 33.50 32.53 3gtj n PRO 514 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3gtj h GLN 515 N 0.00 -0.01 -5.36 -0.52 4.15 -1.93 -3.43 115.11 108.02 3gtj h GLN 515 Ca 0.00 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.75 3gtj h GLN 515 Cb 0.00 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 27.39 3gtj h GLN 515 CO 0.00 -0.01 -0.83 -1.12 -1.93 0.00 0.00 178.83 174.94 3gtj s SER 516 N -4.98 3.49 -0.53 -0.69 0.01 -1.25 -2.92 113.70 106.83 3gtj s SER 516 Ca -0.00 -0.46 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 3gtj s SER 516 Cb 0.00 -1.47 -0.10 0.00 0.21 0.00 0.00 66.02 64.65 3gtj s SER 516 CO 0.01 0.17 2.42 -0.46 0.41 0.00 0.00 173.24 175.78 3gtj n ASN 517 N 3.49 2.02 0.00 2.44 0.23 -1.26 -4.49 115.26 117.70 3gtj n ASN 517 Ca -0.19 -0.17 0.00 0.00 -0.53 0.00 0.00 54.58 53.69 3gtj n ASN 517 Cb 0.53 -1.41 0.00 0.00 -2.08 0.00 0.00 39.78 36.81 3gtj n ASN 517 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3gtj n LYS 518 N 8.77 -0.94 -3.93 -3.83 0.00 -1.25 -4.84 118.16 112.15 3gtj n LYS 518 Ca 0.42 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 58.37 3gtj n LYS 518 Cb 0.40 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.36 3gtj n LYS 518 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 3gtj s PRO 519 N -2.00 3.44 0.00 -1.58 0.02 -1.26 0.64 135.00 134.27 3gtj s PRO 519 Ca 0.00 -0.17 0.22 0.00 0.02 0.00 0.00 61.00 61.07 3gtj s PRO 519 Cb 0.00 -3.16 0.12 0.00 0.02 0.00 0.00 34.50 31.48 3gtj s PRO 519 CO 0.00 0.73 1.14 0.00 -0.33 0.00 0.00 177.00 178.55 3gtj s MET 521 N -1.97 1.59 0.00 0.00 -1.94 -1.25 -4.33 119.30 111.40 3gtj s MET 521 Ca 0.23 -1.24 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 3gtj s MET 521 Cb 0.18 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 35.06 3gtj s MET 521 CO 0.35 0.48 0.00 0.41 -0.01 0.00 0.00 175.02 176.25 3gtj n GLY 522 N 1.20 3.20 3.52 -0.03 0.00 -1.26 -4.54 105.19 107.28 3gtj n GLY 522 Ca -0.17 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 3gtj n GLY 522 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtj s ILE 523 N -2.74 5.26 0.04 -0.61 1.09 -1.24 -4.57 121.20 118.44 3gtj s ILE 523 Ca 0.00 -0.23 0.08 0.00 -1.10 0.00 0.00 60.65 59.40 3gtj s ILE 523 Cb 0.00 -3.76 -0.03 0.00 -1.06 0.00 0.00 42.46 37.61 3gtj s ILE 523 CO 0.00 -0.06 -0.22 -0.69 -0.10 0.00 0.00 174.94 173.87 3gtj s VAL 524 N 1.77 1.78 0.00 2.92 1.01 -1.26 -4.58 120.40 122.04 3gtj s VAL 524 Ca 0.07 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3gtj s VAL 524 Cb -0.17 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3gtj s VAL 524 CO 0.11 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.45 3gtj n GLN 525 N 1.83 0.00 -0.24 2.72 6.02 -1.26 -3.55 117.38 122.90 3gtj n GLN 525 Ca -0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.76 3gtj n GLN 525 Cb 0.53 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.73 3gtj n GLN 525 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3gtj n ASP 526 N 2.66 -0.62 -0.24 1.08 9.92 -1.26 0.31 116.55 128.41 3gtj n ASP 526 Ca 0.00 1.29 0.19 0.00 -0.53 0.00 0.00 54.79 55.74 3gtj n ASP 526 Cb 0.00 -0.26 0.51 0.00 -0.64 0.00 0.00 41.12 40.73 3gtj n ASP 526 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 3gtj h THR 527 N 0.00 0.69 0.08 -3.53 1.35 -1.95 -1.09 112.91 108.46 3gtj h THR 527 Ca 0.09 -0.14 -0.17 0.00 -0.55 0.00 0.00 66.41 65.64 3gtj h THR 527 Cb 0.24 0.24 0.02 0.00 -1.73 0.00 0.00 68.15 66.92 3gtj h THR 527 CO -0.55 0.08 -0.72 0.25 -0.25 0.00 0.00 175.52 174.33 3gtj h LEU 528 N 0.41 0.49 -2.18 3.87 5.85 -0.27 0.13 115.31 123.61 3gtj h LEU 528 Ca 0.46 -0.88 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 3gtj h LEU 528 Cb 1.13 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 3gtj h LEU 528 CO -0.17 1.32 -0.03 0.00 -0.34 0.00 0.00 178.44 179.21 3gtj n GLY 530 N -1.28 -0.71 0.01 0.00 0.00 -0.51 -3.83 105.19 98.86 3gtj n GLY 530 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3gtj n GLY 530 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3gtj n ILE 531 N -3.15 0.00 -0.09 -0.61 3.06 0.03 -0.57 119.36 118.03 3gtj n ILE 531 Ca -0.32 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 59.81 3gtj n ILE 531 Cb 1.06 -0.16 -0.05 0.00 0.54 0.00 0.00 39.64 41.04 3gtj n ILE 531 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 3gtj n ARG 532 N -0.49 0.51 -0.39 9.51 0.63 -1.16 -4.45 116.66 120.82 3gtj n ARG 532 Ca 0.00 0.41 -0.11 0.00 -0.92 0.00 0.00 57.85 57.24 3gtj n ARG 532 Cb 0.00 -1.60 -0.09 0.00 0.45 0.00 0.00 32.46 31.22 3gtj n ARG 532 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3gtj h LYS 533 N -1.00 -0.03 -0.44 -0.14 1.57 -1.11 0.19 116.57 115.61 3gtj h LYS 533 Ca -0.14 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.77 3gtj h LYS 533 Cb 0.91 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 3gtj h LYS 533 CO -0.08 -0.02 0.44 1.25 -0.57 0.00 0.00 179.45 180.46 3gtj h LEU 534 N -0.03 0.00 -0.44 2.94 5.85 -1.10 -2.34 115.31 120.18 3gtj h LEU 534 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3gtj h LEU 534 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3gtj h LEU 534 CO -0.91 0.00 -0.76 0.41 -0.34 0.00 0.00 178.44 176.84 3gtj n THR 535 N -3.81 0.00 -1.46 1.05 -1.04 0.64 -3.32 114.28 106.34 3gtj n THR 535 Ca 0.08 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.05 61.59 3gtj n THR 535 Cb 0.62 1.11 0.04 0.00 -1.82 0.00 0.00 70.33 70.29 3gtj n THR 535 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3gtj n LEU 536 N -0.84 0.66 -0.04 -4.42 4.77 -0.88 -4.69 117.00 111.56 3gtj n LEU 536 Ca 0.06 0.73 -0.01 0.00 -0.03 0.00 0.00 56.01 56.77 3gtj n LEU 536 Cb 0.39 -1.16 0.27 0.00 -2.33 0.00 0.00 43.42 40.58 3gtj n LEU 536 CO 0.36 -3.10 0.95 0.03 -1.33 0.00 0.00 177.39 174.30 3gtj h ARG 537 N 0.23 0.61 -0.06 3.23 3.08 -1.92 -3.01 114.38 116.54 3gtj h ARG 537 Ca -0.45 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.40 3gtj h ARG 537 Cb 1.40 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 3gtj h ARG 537 CO 0.47 0.61 -0.26 -0.44 -1.07 0.00 0.00 179.97 179.27 3gtj h ASP 538 N 0.59 0.09 -2.50 7.04 5.19 -1.95 -3.43 116.42 121.45 3gtj h ASP 538 Ca 0.13 -0.02 -0.55 0.00 -0.62 0.00 0.00 57.03 55.96 3gtj h ASP 538 Cb 0.32 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 3gtj h ASP 538 CO 0.01 0.36 1.28 -0.89 -3.12 0.00 0.00 179.24 176.88 3gtj s THR 539 N -4.45 3.48 -0.08 0.35 2.01 -1.14 -4.99 115.64 110.83 3gtj s THR 539 Ca -0.04 0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.43 3gtj s THR 539 Cb 0.15 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 3gtj s THR 539 CO 0.73 -0.62 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.48 3gtj s PHE 540 N 7.51 2.60 0.20 4.92 2.99 -1.26 -1.61 117.98 133.33 3gtj s PHE 540 Ca 0.74 -0.63 0.06 0.00 0.00 0.00 0.00 56.93 57.10 3gtj s PHE 540 Cb -0.18 -1.68 -0.04 0.00 0.00 0.00 0.00 43.02 41.12 3gtj s PHE 540 CO 0.29 -0.16 0.16 0.42 -0.00 0.00 0.00 175.22 175.93 3gtj s ILE 541 N -0.09 4.47 0.38 0.64 1.01 -0.81 -4.95 121.20 121.85 3gtj s ILE 541 Ca -0.04 -1.21 0.04 0.00 0.00 0.00 0.00 60.65 59.44 3gtj s ILE 541 Cb -0.14 -3.34 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 3gtj s ILE 541 CO 0.04 -0.21 0.05 -1.83 0.00 0.00 0.00 174.94 173.00 3gtj s GLU 542 N -3.40 1.82 0.02 2.79 -1.05 -1.26 -0.93 118.70 116.69 3gtj s GLU 542 Ca 0.32 -2.05 -0.05 0.00 -0.15 0.00 0.00 54.97 53.05 3gtj s GLU 542 Cb -0.09 -1.08 -0.01 0.00 -0.44 0.00 0.00 34.13 32.51 3gtj s GLU 542 CO 0.24 -0.21 0.88 -0.11 0.95 0.00 0.00 175.26 177.01 3gtj n LEU 543 N -0.84 -0.15 -0.36 1.83 7.94 -1.26 -0.51 117.00 123.64 3gtj n LEU 543 Ca -0.05 0.91 0.02 0.00 -1.11 0.00 0.00 56.01 55.79 3gtj n LEU 543 Cb 0.67 -0.36 0.09 0.00 0.53 0.00 0.00 43.42 44.34 3gtj n LEU 543 CO 0.43 -0.54 0.61 -0.90 -1.11 0.00 0.00 177.39 175.87 3gtj n ASP 544 N -3.20 -0.49 -0.03 1.96 5.68 -1.26 -0.42 116.55 118.79 3gtj n ASP 544 Ca 0.00 1.69 -0.16 0.00 -0.50 0.00 0.00 54.79 55.82 3gtj n ASP 544 Cb 0.04 -0.45 -0.08 0.00 -1.14 0.00 0.00 41.12 39.49 3gtj n ASP 544 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3gtj h GLN 545 N 0.00 0.57 0.12 0.11 4.20 -1.87 -3.33 115.11 114.91 3gtj h GLN 545 Ca 0.40 -0.45 0.02 0.00 0.06 0.00 0.00 58.65 58.68 3gtj h GLN 545 Cb 0.65 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 3gtj h GLN 545 CO -0.99 1.07 -0.27 0.28 -0.67 0.00 0.00 178.83 178.26 3gtj h VAL 546 N 0.20 0.40 -0.48 -0.54 2.07 0.19 -2.64 116.25 115.45 3gtj h VAL 546 Ca -0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 3gtj h VAL 546 Cb 1.16 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3gtj h VAL 546 CO 0.11 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 177.79 3gtj h LEU 547 N -0.49 0.15 -0.52 2.57 3.38 -1.30 -1.94 115.31 117.15 3gtj h LEU 547 Ca 0.03 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.16 3gtj h LEU 547 Cb 0.51 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.21 3gtj h LEU 547 CO -0.16 0.11 -0.14 0.78 0.09 0.00 0.00 178.44 179.12 3gtj h ASN 548 N 0.33 -0.53 0.05 -0.43 2.35 -1.59 -1.31 115.58 114.45 3gtj h ASN 548 Ca 0.23 0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 56.14 3gtj h ASN 548 Cb 0.24 0.34 0.00 0.00 0.05 0.00 0.00 38.32 38.95 3gtj h ASN 548 CO -0.24 -0.18 -0.02 0.24 -1.65 0.00 0.00 177.43 175.57 3gtj h MET 549 N -0.02 -0.06 -0.44 0.81 2.86 -1.03 0.29 114.93 117.33 3gtj h MET 549 Ca 0.25 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.98 3gtj h MET 549 Cb 0.40 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.98 3gtj h MET 549 CO -0.55 -0.02 -0.29 -0.07 1.06 0.00 0.00 176.91 177.05 3gtj h LEU 550 N -0.09 -0.97 -1.30 1.22 -0.00 -1.13 0.81 115.31 113.86 3gtj h LEU 550 Ca -0.01 0.19 0.10 0.00 -0.00 0.00 0.00 57.88 58.17 3gtj h LEU 550 Cb 0.08 0.48 -0.06 0.00 -0.00 0.00 0.00 40.66 41.15 3gtj h LEU 550 CO 0.01 -0.29 0.54 0.22 -0.00 0.00 0.00 178.44 178.92 3gtj h TYR 551 N -0.20 0.84 -0.76 1.13 3.20 -0.23 -2.24 116.97 118.71 3gtj h TYR 551 Ca 0.20 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.16 3gtj h TYR 551 Cb 0.52 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 3gtj h TYR 551 CO -0.53 0.38 0.44 -1.49 -1.64 0.00 0.00 178.16 175.32 3gtj h TRP 552 N 0.77 0.81 -3.15 -3.82 4.06 0.20 -3.41 115.95 111.41 3gtj h TRP 552 Ca 0.39 0.03 -0.53 0.00 2.06 0.00 0.00 58.89 60.83 3gtj h TRP 552 Cb 0.48 -0.25 0.01 0.00 -1.00 0.00 0.00 29.16 28.39 3gtj h TRP 552 CO -0.00 0.38 0.60 0.08 -3.56 0.00 0.00 178.44 175.93 3gtj s VAL 553 N -6.07 3.92 0.32 1.49 1.01 -0.84 -4.95 120.40 115.28 3gtj s VAL 553 Ca -0.13 1.37 -0.21 0.00 0.00 0.00 0.00 61.98 63.02 3gtj s VAL 553 Cb 0.18 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 3gtj s VAL 553 CO 0.77 0.10 0.84 -2.16 0.00 0.00 0.00 175.10 174.65 3gtj s PRO 554 N 1.15 4.28 -1.94 2.72 0.05 -1.26 -3.22 135.00 136.78 3gtj s PRO 554 Ca 0.60 1.01 0.00 0.00 0.05 0.00 0.00 61.00 62.65 3gtj s PRO 554 Cb -0.30 -2.59 0.00 0.00 0.05 0.00 0.00 34.50 31.65 3gtj s PRO 554 CO 0.29 0.21 0.00 -0.25 0.05 0.00 0.00 177.00 177.30 3gtj n ASP 555 N 0.12 -5.67 -4.68 6.66 9.92 -1.26 -4.95 116.55 116.68 3gtj n ASP 555 Ca 0.02 0.21 -0.43 0.00 -0.53 0.00 0.00 54.79 54.06 3gtj n ASP 555 Cb 0.52 -4.84 -0.03 0.00 -0.64 0.00 0.00 41.12 36.13 3gtj n ASP 555 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 3gtj n TRP 556 N -3.31 2.58 0.08 1.24 -0.00 -1.20 -4.84 117.44 111.99 3gtj n TRP 556 Ca -0.23 -0.16 0.03 0.00 -0.00 0.00 0.00 57.50 57.14 3gtj n TRP 556 Cb 0.68 -2.73 0.15 0.00 -0.00 0.00 0.00 31.31 29.41 3gtj n TRP 556 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3gtj n ASP 557 N 5.90 0.14 -1.14 5.87 5.75 -1.26 -4.70 116.55 127.11 3gtj n ASP 557 Ca 0.19 0.38 -0.05 0.00 -0.01 0.00 0.00 54.79 55.30 3gtj n ASP 557 Cb 0.37 -0.35 0.02 0.00 -1.03 0.00 0.00 41.12 40.13 3gtj n ASP 557 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gtj n GLY 558 N -1.27 0.63 2.64 6.12 0.00 -1.26 -5.05 105.19 107.01 3gtj n GLY 558 Ca -0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 3gtj n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtj s VAL 559 N -3.06 0.05 0.18 1.61 1.01 -1.26 -5.12 120.40 113.80 3gtj s VAL 559 Ca 0.11 -0.19 -0.32 0.00 0.00 0.00 0.00 61.98 61.57 3gtj s VAL 559 Cb -0.05 -0.64 -0.11 0.00 0.00 0.00 0.00 36.38 35.59 3gtj s VAL 559 CO 0.14 -0.22 1.75 -0.63 0.00 0.00 0.00 175.10 176.14 3gtj s ILE 560 N 2.08 2.22 0.17 2.22 -1.09 -1.26 -4.97 121.20 120.57 3gtj s ILE 560 Ca 0.02 0.06 -0.30 0.00 -2.23 0.00 0.00 60.65 58.19 3gtj s ILE 560 Cb -0.16 -3.04 -0.07 0.00 -1.58 0.00 0.00 42.46 37.61 3gtj s ILE 560 CO -0.08 0.00 1.02 -2.84 -1.23 0.00 0.00 174.94 171.81 3gtj s PRO 561 N 1.65 4.68 0.28 2.79 0.02 -1.26 -4.99 135.00 138.17 3gtj s PRO 561 Ca 0.76 1.58 -0.30 0.00 0.02 0.00 0.00 61.00 63.06 3gtj s PRO 561 Cb -0.48 -3.31 -0.11 0.00 0.02 0.00 0.00 34.50 30.61 3gtj s PRO 561 CO 0.33 0.20 1.62 0.99 -0.33 0.00 0.00 177.00 179.81 3gtj s THR 562 N -0.33 2.06 0.21 0.99 2.01 -1.26 -4.86 115.64 114.45 3gtj s THR 562 Ca 0.47 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 3gtj s THR 562 Cb -0.27 -3.03 -0.09 0.00 0.01 0.00 0.00 72.50 69.12 3gtj s THR 562 CO 0.33 0.01 1.28 -2.84 -0.69 0.00 0.00 174.62 172.70 3gtj s PRO 563 N -0.18 4.42 0.11 4.92 0.02 -1.26 -4.93 135.00 138.09 3gtj s PRO 563 Ca 0.65 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 63.40 3gtj s PRO 563 Cb -0.48 -3.20 -0.10 0.00 0.02 0.00 0.00 34.50 30.75 3gtj s PRO 563 CO 0.45 -0.20 1.62 0.00 -0.33 0.00 0.00 177.00 178.55 3gtj h ALA 564 N 5.17 -0.56 -2.83 -1.55 0.00 -1.88 -3.36 119.26 114.25 3gtj h ALA 564 Ca -0.45 -0.06 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 3gtj h ALA 564 Cb 1.21 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 3gtj h ALA 564 CO 0.75 -0.86 -0.08 0.42 0.00 0.00 0.00 179.25 179.48 3gtj s ILE 565 N -6.02 5.14 -0.38 0.00 1.01 -1.07 -4.94 121.20 114.94 3gtj s ILE 565 Ca -0.16 1.02 0.12 0.00 0.00 0.00 0.00 60.65 61.63 3gtj s ILE 565 Cb 0.07 -3.85 0.36 0.00 0.01 0.00 0.00 42.46 39.05 3gtj s ILE 565 CO 0.64 0.27 0.80 0.00 0.00 0.00 0.00 174.94 176.66 3gtj n ILE 566 N 3.94 -0.04 -1.96 2.92 3.06 -1.26 -2.67 119.36 123.36 3gtj n ILE 566 Ca -0.06 -4.05 0.00 0.00 -2.50 0.00 0.00 62.75 56.15 3gtj n ILE 566 Cb 0.51 0.05 0.00 0.00 0.54 0.00 0.00 39.64 40.74 3gtj n ILE 566 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 3gtj n LYS 567 N 0.24 3.71 -0.22 9.51 2.85 -1.26 -4.91 118.16 128.07 3gtj n LYS 567 Ca 0.21 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.66 3gtj n LYS 567 Cb 0.68 0.00 0.31 0.00 -0.65 0.00 0.00 35.03 35.38 3gtj n LYS 567 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3gtj n PRO 568 N 0.00 -0.02 -3.50 -1.58 -0.02 -1.26 -3.97 135.00 124.66 3gtj n PRO 568 Ca 0.00 0.57 -0.18 0.00 -2.02 0.00 0.00 63.50 61.86 3gtj n PRO 568 Cb 0.00 -1.13 -0.13 0.00 -0.02 0.00 0.00 33.50 32.22 3gtj n PRO 568 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3gtj s LYS 569 N -4.32 0.18 -0.29 -0.52 2.20 -1.26 -5.10 119.74 110.63 3gtj s LYS 569 Ca -0.03 0.22 -0.31 0.00 -0.36 0.00 0.00 55.97 55.48 3gtj s LYS 569 Cb 0.14 -1.18 -0.08 0.00 -1.51 0.00 0.00 37.83 35.20 3gtj s LYS 569 CO 0.38 -0.64 2.22 -2.30 -0.36 0.00 0.00 175.35 174.65 3gtj n PRO 570 N 5.32 1.51 -4.21 4.03 -0.02 -1.25 -4.70 135.00 135.68 3gtj n PRO 570 Ca -0.05 0.40 -0.16 0.00 -2.02 0.00 0.00 63.50 61.67 3gtj n PRO 570 Cb 0.50 -2.89 -0.11 0.00 -0.02 0.00 0.00 33.50 30.98 3gtj n PRO 570 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gtj s LEU 571 N 8.06 2.42 0.22 2.45 1.02 -1.09 -4.48 118.68 127.28 3gtj s LEU 571 Ca 1.05 -0.83 0.09 0.00 0.02 0.00 0.00 54.13 54.45 3gtj s LEU 571 Cb -0.57 -0.41 -0.04 0.00 0.02 0.00 0.00 46.19 45.19 3gtj s LEU 571 CO 0.41 -0.22 0.00 0.26 0.02 0.00 0.00 176.35 176.82 3gtj s TRP 572 N -2.41 2.77 0.77 0.29 0.23 -0.11 -2.61 118.94 117.87 3gtj s TRP 572 Ca 0.08 -0.19 -0.11 0.00 -2.03 0.00 0.00 56.10 53.85 3gtj s TRP 572 Cb -0.03 -1.28 0.06 0.00 0.03 0.00 0.00 33.47 32.24 3gtj s TRP 572 CO 0.01 0.57 1.09 0.45 0.96 0.00 0.00 176.95 180.03 3gtj s SER 573 N -3.34 4.73 0.00 2.95 0.15 -1.26 -1.92 113.70 115.01 3gtj s SER 573 Ca 0.29 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.24 3gtj s SER 573 Cb -0.08 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 3gtj s SER 573 CO 0.19 -1.82 0.87 0.61 1.20 0.00 0.00 173.24 174.29 3gtj n GLY 574 N -2.25 -2.66 0.26 9.45 0.00 -0.63 -3.01 105.19 106.35 3gtj n GLY 574 Ca 0.07 0.08 0.23 0.00 0.00 0.00 0.00 46.02 46.40 3gtj n GLY 574 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gtj n LYS 575 N -1.71 -0.05 -0.38 1.61 5.02 -1.21 -1.41 118.16 120.03 3gtj n LYS 575 Ca 0.00 1.14 -0.04 0.00 -2.02 0.00 0.00 58.31 57.39 3gtj n LYS 575 Cb 0.00 -1.99 -0.00 0.00 -0.02 0.00 0.00 35.03 33.02 3gtj n LYS 575 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3gtj n GLN 576 N -4.89 -0.28 -0.01 1.97 1.13 -1.16 -1.95 117.38 112.18 3gtj n GLN 576 Ca 0.28 1.46 -0.09 0.00 -1.94 0.00 0.00 57.00 56.71 3gtj n GLN 576 Cb 0.96 -2.17 -0.14 0.00 0.11 0.00 0.00 30.24 29.01 3gtj n GLN 576 CO 0.00 0.00 0.00 -0.84 -1.44 0.00 0.00 177.06 174.78 3gtj h ILE 577 N 0.00 0.93 -0.64 5.09 -0.00 -1.32 -3.30 117.51 118.28 3gtj h ILE 577 Ca 0.28 -2.76 0.07 0.00 -0.00 0.00 0.00 64.86 62.46 3gtj h ILE 577 Cb 0.52 2.48 -0.04 0.00 -0.00 0.00 0.00 36.82 39.77 3gtj h ILE 577 CO -0.93 0.57 0.42 0.25 -0.00 0.00 0.00 178.15 178.46 3gtj h LEU 578 N 0.01 0.51 -1.71 0.16 5.85 -1.49 0.38 115.31 119.02 3gtj h LEU 578 Ca -0.26 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3gtj h LEU 578 Cb 1.99 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.92 3gtj h LEU 578 CO 0.09 0.32 0.33 0.28 -0.34 0.00 0.00 178.44 179.12 3gtj h SER 579 N 0.58 0.00 1.56 1.25 0.02 -1.46 0.18 113.55 115.67 3gtj h SER 579 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3gtj h SER 579 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3gtj h SER 579 CO -0.09 0.00 0.00 0.58 -1.14 0.00 0.00 176.83 176.18 3gtj h VAL 580 N 0.00 0.00 0.00 2.27 2.07 -1.11 -2.78 116.25 116.70 3gtj h VAL 580 Ca 0.00 -0.62 -0.21 0.00 0.82 0.00 0.00 66.70 66.69 3gtj h VAL 580 Cb 0.66 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3gtj h VAL 580 CO 0.00 0.00 -1.00 0.00 0.02 0.00 0.00 177.57 176.59 3gtj h ALA 581 N 2.31 0.35 -2.42 1.67 0.00 -0.79 -3.46 119.26 116.93 3gtj h ALA 581 Ca 0.00 -0.90 -0.55 0.00 0.00 0.00 0.00 54.91 53.45 3gtj h ALA 581 Cb 0.78 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3gtj h ALA 581 CO 0.00 1.23 0.37 0.42 0.00 0.00 0.00 179.25 181.28 3gtj s ILE 582 N -2.72 4.88 1.36 0.00 1.01 -1.05 -4.92 121.20 119.76 3gtj s ILE 582 Ca 0.01 1.88 -0.20 0.00 0.00 0.00 0.00 60.65 62.33 3gtj s ILE 582 Cb 0.10 -4.24 0.34 0.00 0.01 0.00 0.00 42.46 38.67 3gtj s ILE 582 CO 0.82 0.12 0.83 -2.65 0.00 0.00 0.00 174.94 174.05 3gtj n PRO 583 N 4.37 -3.98 -3.20 2.79 -0.02 -1.26 -4.85 135.00 128.84 3gtj n PRO 583 Ca 0.05 -1.17 -0.21 0.00 -2.02 0.00 0.00 63.50 60.15 3gtj n PRO 583 Cb 0.50 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3gtj n PRO 583 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3gtj s ASN 584 N -2.75 5.91 -1.78 2.55 -0.87 -1.26 -4.19 114.94 112.54 3gtj s ASN 584 Ca 0.64 0.10 0.00 0.00 -1.57 0.00 0.00 52.86 52.04 3gtj s ASN 584 Cb -0.15 -1.44 0.00 0.00 -0.02 0.00 0.00 41.25 39.64 3gtj s ASN 584 CO 0.57 -0.57 0.00 0.61 -2.57 0.00 0.00 177.10 175.14 3gtj n GLY 585 N -1.89 0.31 3.28 0.66 0.00 -1.23 -4.89 105.19 101.43 3gtj n GLY 585 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3gtj n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtj s ILE 586 N -2.88 3.23 0.01 -0.61 -1.09 -0.10 -4.94 121.20 114.81 3gtj s ILE 586 Ca 0.00 -0.59 0.08 0.00 -2.23 0.00 0.00 60.65 57.92 3gtj s ILE 586 Cb 0.00 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.37 3gtj s ILE 586 CO 0.00 0.40 -0.26 -1.00 -1.23 0.00 0.00 174.94 172.85 3gtj s HIS 587 N 1.45 2.29 -0.08 3.97 3.76 -1.26 -3.22 115.29 122.21 3gtj s HIS 587 Ca 0.05 -0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 54.49 3gtj s HIS 587 Cb -0.14 -1.43 0.03 0.00 1.11 0.00 0.00 32.58 32.15 3gtj s HIS 587 CO -0.04 0.03 0.19 -1.17 -0.85 0.00 0.00 174.74 172.90 3gtj s LEU 588 N -0.88 0.93 -0.03 0.89 2.96 0.36 -4.97 118.68 117.94 3gtj s LEU 588 Ca 0.11 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 3gtj s LEU 588 Cb -0.10 0.58 0.01 0.00 0.50 0.00 0.00 46.19 47.18 3gtj s LEU 588 CO 0.00 -0.11 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.26 3gtj s GLN 589 N 0.67 0.98 0.00 1.98 0.74 -1.25 -0.02 119.66 122.76 3gtj s GLN 589 Ca -0.05 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.08 3gtj s GLN 589 Cb -0.06 -0.91 0.00 0.00 1.10 0.00 0.00 33.01 33.13 3gtj s GLN 589 CO -0.04 0.08 0.00 -2.13 -0.55 0.00 0.00 175.29 172.65 3gtj n ARG 590 N 3.43 0.00 -1.39 1.67 0.63 -0.86 -4.96 116.66 115.18 3gtj n ARG 590 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 3gtj n ARG 590 Cb 0.54 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.45 3gtj n ARG 590 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3gtj n PHE 591 N -0.16 0.00 0.00 -0.14 3.01 -1.26 -4.92 117.46 113.99 3gtj n PHE 591 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3gtj n PHE 591 Cb 0.00 -1.39 0.00 0.00 -0.01 0.00 0.00 39.48 38.08 3gtj n PHE 591 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3gtj n ASP 592 N -0.57 0.00 0.00 4.37 8.00 -1.26 -4.95 116.55 122.14 3gtj n ASP 592 Ca 0.00 0.73 0.00 0.00 0.71 0.00 0.00 54.79 56.23 3gtj n ASP 592 Cb 0.11 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 3gtj n ASP 592 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3gtj n GLU 593 N -1.55 0.00 -3.16 -1.24 4.07 -1.26 -4.95 120.64 112.55 3gtj n GLU 593 Ca 0.00 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.66 3gtj n GLU 593 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3gtj n GLU 593 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3gtj n GLY 594 N 0.74 4.59 2.92 8.31 0.00 -1.26 -4.95 105.19 115.54 3gtj n GLY 594 Ca 0.00 -2.58 -0.30 0.00 0.00 0.00 0.00 46.02 43.14 3gtj n GLY 594 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gtj s THR 595 N -1.73 2.46 -0.48 2.61 2.01 -1.26 -4.36 115.64 114.89 3gtj s THR 595 Ca 0.32 -3.29 0.03 0.00 0.31 0.00 0.00 61.69 59.06 3gtj s THR 595 Cb -0.03 -2.71 0.52 0.00 0.01 0.00 0.00 72.50 70.29 3gtj s THR 595 CO 0.00 -0.82 1.76 0.35 -0.69 0.00 0.00 174.62 175.22 3gtj n THR 596 N 3.09 3.14 -1.65 -0.82 -2.24 -1.26 -4.84 114.28 109.69 3gtj n THR 596 Ca 0.06 -2.87 -0.15 0.00 -2.27 0.00 0.00 64.05 58.82 3gtj n THR 596 Cb 0.32 -0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 67.68 3gtj n THR 596 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gtj n LEU 597 N -0.98 -1.16 0.00 3.22 4.77 -1.26 -4.58 117.00 117.01 3gtj n LEU 597 Ca 0.53 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.83 3gtj n LEU 597 Cb 1.03 -2.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 3gtj n LEU 597 CO 0.57 -0.65 -0.03 0.18 -1.33 0.00 0.00 177.39 176.14 3gtj n LEU 598 N -2.19 0.15 -2.77 2.23 4.77 -1.26 -5.14 117.00 112.79 3gtj n LEU 598 Ca -0.16 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.80 3gtj n LEU 598 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3gtj n LEU 598 CO 0.22 0.02 -0.50 -1.54 -1.33 0.00 0.00 177.39 174.26 3gtj n SER 599 N -1.54 -4.14 -0.32 -1.43 3.41 -1.26 -4.73 113.62 103.61 3gtj n SER 599 Ca 0.00 1.22 0.01 0.00 -0.26 0.00 0.00 58.87 59.84 3gtj n SER 599 Cb 0.03 -4.33 0.06 0.00 -0.26 0.00 0.00 64.21 59.70 3gtj n SER 599 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3gtj n PRO 600 N 1.56 -0.17 -3.10 4.33 -0.02 -1.26 -2.36 135.00 133.98 3gtj n PRO 600 Ca -0.21 1.30 -0.25 0.00 -2.02 0.00 0.00 63.50 62.32 3gtj n PRO 600 Cb 0.37 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 3gtj n PRO 600 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3gtj n LYS 601 N -5.28 2.59 -4.22 -0.52 4.81 -1.26 -4.97 118.16 109.31 3gtj n LYS 601 Ca 0.10 -4.50 -0.38 0.00 -0.87 0.00 0.00 58.31 52.66 3gtj n LYS 601 Cb 0.36 -2.10 -0.05 0.00 0.02 0.00 0.00 35.03 33.26 3gtj n LYS 601 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gtj n ASP 602 N 0.17 -1.16 -4.89 3.14 9.92 -0.99 -4.93 116.55 117.80 3gtj n ASP 602 Ca 0.29 -1.29 -0.29 0.00 -0.53 0.00 0.00 54.79 52.97 3gtj n ASP 602 Cb 0.45 -1.58 -0.02 0.00 -0.64 0.00 0.00 41.12 39.33 3gtj n ASP 602 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3gtj s ASN 603 N -4.03 6.44 0.00 -2.24 -0.87 -1.26 -3.30 114.94 109.69 3gtj s ASN 603 Ca 0.21 1.03 0.00 0.00 -1.57 0.00 0.00 52.86 52.53 3gtj s ASN 603 Cb -0.12 -2.28 0.00 0.00 -0.02 0.00 0.00 41.25 38.83 3gtj s ASN 603 CO 0.99 -0.43 0.00 0.61 -2.57 0.00 0.00 177.10 175.70 3gtj n GLY 604 N -1.51 -1.67 3.15 0.66 0.00 -1.26 -4.58 105.19 99.97 3gtj n GLY 604 Ca 0.01 -1.47 0.05 0.00 0.00 0.00 0.00 46.02 44.62 3gtj n GLY 604 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gtj s MET 605 N 0.00 0.31 -0.23 1.61 1.75 -1.26 -4.08 119.30 117.39 3gtj s MET 605 Ca 0.00 0.44 -0.05 0.00 -1.25 0.00 0.00 55.69 54.83 3gtj s MET 605 Cb 0.00 0.23 -0.01 0.00 2.84 0.00 0.00 34.83 37.89 3gtj s MET 605 CO 0.00 -0.46 -0.01 -1.17 -0.65 0.00 0.00 175.02 172.73 3gtj s LEU 606 N 2.91 3.08 -0.22 4.11 2.96 -0.96 -2.03 118.68 128.53 3gtj s LEU 606 Ca 0.13 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3gtj s LEU 606 Cb -0.09 -1.78 0.04 0.00 0.50 0.00 0.00 46.19 44.86 3gtj s LEU 606 CO -0.19 -0.04 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.02 3gtj s ILE 607 N 1.50 2.07 -0.15 6.68 1.01 0.97 -1.41 121.20 131.86 3gtj s ILE 607 Ca 0.05 -1.27 -0.04 0.00 0.00 0.00 0.00 60.65 59.40 3gtj s ILE 607 Cb -0.15 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 3gtj s ILE 607 CO -0.02 0.24 -0.03 -0.63 0.00 0.00 0.00 174.94 174.51 3gtj s ILE 608 N 1.21 3.99 0.00 2.92 -1.09 -1.08 -0.48 121.20 126.67 3gtj s ILE 608 Ca -0.02 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 3gtj s ILE 608 Cb -0.17 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.97 3gtj s ILE 608 CO -0.09 0.50 0.00 -0.67 -1.23 0.00 0.00 174.94 173.45 3gtj n ASP 609 N 3.47 0.00 -0.02 3.58 -0.08 -1.20 -1.57 116.55 120.74 3gtj n ASP 609 Ca -0.17 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.11 3gtj n ASP 609 Cb 0.52 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.98 3gtj n ASP 609 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gtj n GLY 610 N 0.00 0.36 3.83 0.27 0.00 -1.26 -0.92 105.19 107.47 3gtj n GLY 610 Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 3gtj n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gtj s GLN 611 N -0.92 2.33 0.11 1.61 -1.52 -0.61 -4.67 119.66 115.99 3gtj s GLN 611 Ca 0.01 -1.81 0.09 0.00 -1.95 0.00 0.00 55.36 51.69 3gtj s GLN 611 Cb 0.01 -2.13 -0.04 0.00 -0.22 0.00 0.00 33.01 30.64 3gtj s GLN 611 CO 0.06 -0.29 -0.17 0.96 -0.25 0.00 0.00 175.29 175.60 3gtj s ILE 612 N -2.62 2.90 -0.19 1.08 -4.36 -1.26 -2.62 121.20 114.13 3gtj s ILE 612 Ca 0.40 -1.45 -0.05 0.00 -0.26 0.00 0.00 60.65 59.29 3gtj s ILE 612 Cb -0.00 -2.33 -0.10 0.00 1.25 0.00 0.00 42.46 41.29 3gtj s ILE 612 CO 0.23 0.12 -0.21 -0.38 0.24 0.00 0.00 174.94 174.94 3gtj n ILE 613 N 0.84 1.04 -3.46 8.37 2.08 -0.50 -4.94 119.36 122.79 3gtj n ILE 613 Ca -0.15 -0.32 -0.12 0.00 0.56 0.00 0.00 62.75 62.72 3gtj n ILE 613 Cb 0.53 -1.51 -0.03 0.00 -0.75 0.00 0.00 39.64 37.88 3gtj n ILE 613 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 3gtj s PHE 614 N -2.35 -0.51 0.00 1.39 -0.12 -1.25 -5.05 117.98 110.10 3gtj s PHE 614 Ca -0.26 0.44 0.00 0.00 -0.05 0.00 0.00 56.93 57.07 3gtj s PHE 614 Cb 0.09 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 43.00 3gtj s PHE 614 CO 0.37 -0.72 0.00 0.41 -0.05 0.00 0.00 175.22 175.22 3gtj n GLY 615 N -0.10 1.77 3.31 1.99 0.00 -1.26 -2.28 105.19 108.62 3gtj n GLY 615 Ca -0.15 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.33 3gtj n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtj s VAL 616 N -1.58 2.57 0.03 1.61 1.01 -1.21 -4.90 120.40 117.94 3gtj s VAL 616 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 3gtj s VAL 616 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3gtj s VAL 616 CO 0.00 0.55 0.94 -0.69 0.00 0.00 0.00 175.10 175.89 3gtj s VAL 617 N 0.26 4.77 0.00 2.92 1.01 -1.26 -4.93 120.40 123.16 3gtj s VAL 617 Ca -0.13 1.98 0.00 0.00 0.00 0.00 0.00 61.98 63.84 3gtj s VAL 617 Cb -0.16 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.93 3gtj s VAL 617 CO 0.07 0.23 0.00 -1.84 0.00 0.00 0.00 175.10 173.55 3gtj n GLU 618 N 3.49 0.00 -0.05 2.72 -0.00 -1.26 -3.76 120.64 121.78 3gtj n GLU 618 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.18 3gtj n GLU 618 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 31.93 3gtj n GLU 618 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3gtj n LYS 619 N 0.00 -0.05 -0.21 3.44 3.00 -1.19 -0.18 118.16 122.97 3gtj n LYS 619 Ca 0.00 0.78 0.31 0.00 -0.00 0.00 0.00 58.31 59.40 3gtj n LYS 619 Cb 0.00 -1.17 0.73 0.00 0.00 0.00 0.00 35.03 34.59 3gtj n LYS 619 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 3gtj h LYS 620 N 0.00 0.00 0.00 1.64 1.57 -1.91 0.47 116.57 118.33 3gtj h LYS 620 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3gtj h LYS 620 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3gtj h LYS 620 CO -0.11 0.00 -0.06 2.41 -0.57 0.00 0.00 179.45 181.13 3gtj n THR 621 N -4.14 0.13 0.75 -0.16 -1.04 -0.30 -4.25 114.28 105.26 3gtj n THR 621 Ca 0.21 0.47 0.13 0.00 -2.04 0.00 0.00 64.05 62.81 3gtj n THR 621 Cb 1.07 -1.58 0.31 0.00 -1.82 0.00 0.00 70.33 68.31 3gtj n THR 621 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3gtj n VAL 622 N -2.52 0.26 -1.42 12.58 3.14 0.75 -0.35 118.33 130.77 3gtj n VAL 622 Ca -0.01 -0.17 -0.29 0.00 -2.96 0.00 0.00 64.34 60.91 3gtj n VAL 622 Cb 0.03 -0.19 0.23 0.00 -1.06 0.00 0.00 33.84 32.84 3gtj n VAL 622 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gtj n GLY 623 N 1.40 -2.21 2.54 7.55 0.00 0.16 -3.66 105.19 110.97 3gtj n GLY 623 Ca 0.05 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 3gtj n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtj n SER 624 N -4.40 6.79 -4.53 1.61 3.41 -1.26 -4.63 113.62 110.61 3gtj n SER 624 Ca 0.16 -3.27 -0.28 0.00 -0.26 0.00 0.00 58.87 55.21 3gtj n SER 624 Cb 0.57 -1.23 0.13 0.00 -0.26 0.00 0.00 64.21 63.43 3gtj n SER 624 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3gtj s SER 625 N 0.17 3.90 0.11 4.04 0.01 -1.26 -4.40 113.70 116.27 3gtj s SER 625 Ca 0.57 0.38 -0.14 0.00 1.31 0.00 0.00 55.95 58.07 3gtj s SER 625 Cb 0.36 -0.68 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 3gtj s SER 625 CO -0.23 -2.23 1.48 -1.13 0.41 0.00 0.00 173.24 171.54 3gtj h ASN 626 N -1.20 0.76 -0.51 2.44 -0.73 -1.91 -3.29 115.58 111.15 3gtj h ASN 626 Ca -0.44 -0.41 0.00 0.00 1.87 0.00 0.00 56.30 57.32 3gtj h ASN 626 Cb 1.28 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.66 3gtj h ASN 626 CO 0.50 1.00 0.00 0.61 -0.37 0.00 0.00 177.43 179.17 3gtj n GLY 627 N -0.04 2.76 3.62 1.57 0.00 -1.26 -4.83 105.19 107.01 3gtj n GLY 627 Ca -0.02 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 3gtj n GLY 627 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gtj s GLY 628 N -1.05 1.58 0.52 -0.02 0.00 -1.24 -4.82 107.32 102.29 3gtj s GLY 628 Ca 0.36 -0.15 0.18 0.00 0.00 0.00 0.00 44.72 45.12 3gtj s GLY 628 CO 0.22 0.47 2.12 -2.00 0.00 0.00 0.00 173.10 173.91 3gtj h LEU 629 N -2.10 0.00 -0.04 0.66 6.46 -0.95 -2.74 115.31 116.59 3gtj h LEU 629 Ca -0.55 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.16 3gtj h LEU 629 Cb 1.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 3gtj h LEU 629 CO 0.53 0.00 -0.16 0.40 -0.62 0.00 0.00 178.44 178.59 3gtj h ILE 630 N 0.00 1.47 -0.99 4.05 5.03 -1.84 0.14 117.51 125.37 3gtj h ILE 630 Ca 0.06 -1.62 0.18 0.00 -0.12 0.00 0.00 64.86 63.36 3gtj h ILE 630 Cb 0.23 2.41 -0.10 0.00 -3.03 0.00 0.00 36.82 36.34 3gtj h ILE 630 CO -0.00 0.45 0.61 -0.74 -0.68 0.00 0.00 178.15 177.79 3gtj h HIS 631 N -0.38 1.01 0.15 1.37 2.76 -1.78 -1.10 115.15 117.18 3gtj h HIS 631 Ca -0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3gtj h HIS 631 Cb 0.81 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.46 3gtj h HIS 631 CO 0.14 0.27 -0.07 0.28 -1.30 0.00 0.00 177.93 177.25 3gtj h VAL 632 N 0.76 0.97 0.00 5.26 2.07 -1.21 -3.05 116.25 121.05 3gtj h VAL 632 Ca 0.55 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 3gtj h VAL 632 Cb 0.86 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3gtj h VAL 632 CO -0.33 0.23 -0.21 0.58 0.02 0.00 0.00 177.57 177.86 3gtj h VAL 633 N -0.77 1.07 0.21 2.57 2.07 -0.54 -2.49 116.25 118.38 3gtj h VAL 633 Ca -0.02 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3gtj h VAL 633 Cb 0.53 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3gtj h VAL 633 CO 0.03 0.21 -0.10 0.74 0.02 0.00 0.00 177.57 178.47 3gtj h THR 634 N 0.00 0.60 0.00 2.57 2.02 -1.24 -1.54 112.91 115.33 3gtj h THR 634 Ca -0.00 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.13 3gtj h THR 634 Cb 0.40 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3gtj h THR 634 CO 0.03 0.16 -0.20 0.03 0.37 0.00 0.00 175.52 175.91 3gtj h ARG 635 N -0.94 0.00 0.00 6.66 2.47 -1.52 -2.35 114.38 118.70 3gtj h ARG 635 Ca -0.03 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3gtj h ARG 635 Cb 0.48 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.79 3gtj h ARG 635 CO 0.05 0.20 -0.21 1.49 0.56 0.00 0.00 179.97 182.05 3gtj h GLU 636 N 0.00 0.00 0.02 0.04 4.57 -1.50 -3.42 114.58 114.28 3gtj h GLU 636 Ca -0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 3gtj h GLU 636 Cb 0.48 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 3gtj h GLU 636 CO 0.03 0.34 -2.15 1.63 -1.18 0.00 0.00 179.01 177.68 3gtj n LYS 637 N -4.68 0.67 0.00 1.92 4.76 -0.58 -5.09 118.16 115.17 3gtj n LYS 637 Ca -0.07 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3gtj n LYS 637 Cb 0.23 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 3gtj n LYS 637 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gtj n GLY 638 N 1.80 1.01 0.11 0.72 0.00 -0.89 -4.76 105.19 103.19 3gtj n GLY 638 Ca -0.30 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.58 3gtj n GLY 638 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gtj h PRO 639 N 0.00 -0.15 -0.67 1.61 0.11 -1.89 -3.27 132.00 127.74 3gtj h PRO 639 Ca 0.00 0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.27 3gtj h PRO 639 Cb 0.00 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.10 3gtj h PRO 639 CO 0.00 0.31 0.46 1.96 -0.21 0.00 0.00 178.00 180.52 3gtj h GLN 640 N -0.91 0.25 0.15 1.05 1.08 -1.92 0.47 115.11 115.29 3gtj h GLN 640 Ca -0.02 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3gtj h GLN 640 Cb 0.53 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3gtj h GLN 640 CO 0.03 0.16 -0.07 0.28 -0.95 0.00 0.00 178.83 178.28 3gtj h VAL 641 N 0.25 0.96 -1.00 -0.54 2.07 -1.86 -2.56 116.25 113.58 3gtj h VAL 641 Ca 0.33 -1.03 0.15 0.00 0.82 0.00 0.00 66.70 66.97 3gtj h VAL 641 Cb 0.92 1.54 -0.09 0.00 -1.52 0.00 0.00 31.29 32.14 3gtj h VAL 641 CO -0.07 0.22 0.63 0.00 0.02 0.00 0.00 177.57 178.36 3gtj h ALA 643 N 1.58 1.12 0.00 0.00 0.00 -0.24 -0.86 119.26 120.87 3gtj h ALA 643 Ca 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3gtj h ALA 643 Cb 0.66 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gtj h ALA 643 CO -0.31 0.62 -0.04 -0.22 0.00 0.00 0.00 179.25 179.30 3gtj h LYS 644 N 1.02 0.00 0.47 0.00 3.64 -0.91 -3.31 116.57 117.48 3gtj h LYS 644 Ca 0.23 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3gtj h LYS 644 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3gtj h LYS 644 CO -0.01 0.04 -0.23 1.25 -2.27 0.00 0.00 179.45 178.23 3gtj h LEU 645 N 0.00 -0.54 -0.74 5.20 5.85 0.32 -2.88 115.31 122.53 3gtj h LEU 645 Ca -0.00 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.72 3gtj h LEU 645 Cb 0.68 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.75 3gtj h LEU 645 CO 0.00 -0.15 -0.40 0.49 -0.34 0.00 0.00 178.44 178.04 3gtj n PHE 646 N -5.23 -0.25 -0.09 1.25 3.01 -0.90 -1.07 117.46 114.17 3gtj n PHE 646 Ca -0.10 0.92 -0.09 0.00 1.01 0.00 0.00 57.45 59.19 3gtj n PHE 646 Cb 0.30 -0.61 -0.06 0.00 -0.01 0.00 0.00 39.48 39.11 3gtj n PHE 646 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3gtj h GLY 647 N 0.00 -1.37 -0.23 1.37 0.00 -1.66 -2.57 103.07 98.60 3gtj h GLY 647 Ca 0.15 0.77 0.15 0.00 0.00 0.00 0.00 47.33 48.40 3gtj h GLY 647 CO -0.70 -0.36 -0.00 3.43 0.00 0.00 0.00 176.54 178.91 3gtj h ASN 648 N -0.24 -0.32 0.26 0.19 4.21 -0.87 -0.46 115.58 118.35 3gtj h ASN 648 Ca 0.05 0.18 -0.01 0.00 1.21 0.00 0.00 56.30 57.72 3gtj h ASN 648 Cb 0.37 0.32 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 3gtj h ASN 648 CO -0.37 -0.15 -0.22 0.40 -1.29 0.00 0.00 177.43 175.80 3gtj h ILE 649 N 0.11 0.00 -0.50 2.81 2.04 -0.93 -2.27 117.51 118.77 3gtj h ILE 649 Ca 0.37 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.30 3gtj h ILE 649 Cb 0.63 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.62 3gtj h ILE 649 CO -0.61 0.00 -0.52 1.56 0.00 0.00 0.00 178.15 178.59 3gtj h GLN 650 N -0.46 -0.31 -0.97 2.37 4.20 -1.32 -0.97 115.11 117.65 3gtj h GLN 650 Ca -0.03 0.02 0.33 0.00 0.06 0.00 0.00 58.65 59.02 3gtj h GLN 650 Cb 0.39 0.07 -0.17 0.00 0.30 0.00 0.00 27.48 28.07 3gtj h GLN 650 CO -0.00 -0.20 0.38 0.87 -0.67 0.00 0.00 178.83 179.21 3gtj h LYS 651 N -0.32 0.12 0.04 1.46 1.57 -0.87 0.14 116.57 118.71 3gtj h LYS 651 Ca 0.11 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3gtj h LYS 651 Cb 0.57 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3gtj h LYS 651 CO -0.65 0.08 -0.02 0.28 -0.57 0.00 0.00 179.45 178.57 3gtj h VAL 652 N 0.12 0.90 -0.03 0.50 2.07 -0.67 -3.15 116.25 116.00 3gtj h VAL 652 Ca 0.71 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.69 3gtj h VAL 652 Cb 1.67 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 33.04 3gtj h VAL 652 CO -0.74 0.29 -0.53 0.58 0.02 0.00 0.00 177.57 177.19 3gtj h VAL 653 N -0.97 0.00 -1.00 2.57 2.07 -0.36 -0.92 116.25 117.64 3gtj h VAL 653 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3gtj h VAL 653 Cb 0.52 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.13 3gtj h VAL 653 CO 0.01 0.00 -0.39 0.59 0.02 0.00 0.00 177.57 177.80 3gtj n ASN 654 N -5.38 -0.65 0.36 0.57 3.02 0.40 -0.10 115.26 113.48 3gtj n ASN 654 Ca -0.07 1.75 -0.17 0.00 -0.03 0.00 0.00 54.58 56.06 3gtj n ASN 654 Cb 0.38 -0.40 -0.09 0.00 -0.61 0.00 0.00 39.78 39.07 3gtj n ASN 654 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3gtj h PHE 655 N 0.00 -1.16 -0.23 3.10 3.57 -1.34 0.31 116.94 121.19 3gtj h PHE 655 Ca 0.35 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.88 3gtj h PHE 655 Cb 0.60 0.42 -0.07 0.00 2.79 0.00 0.00 35.95 39.68 3gtj h PHE 655 CO -0.88 -0.64 -0.46 2.35 -2.23 0.00 0.00 178.31 176.45 3gtj h TRP 656 N -1.03 -1.36 -0.59 0.41 7.01 0.34 0.64 115.95 121.36 3gtj h TRP 656 Ca -0.09 0.06 0.08 0.00 2.11 0.00 0.00 58.89 61.05 3gtj h TRP 656 Cb 0.84 0.63 -0.10 0.00 -2.10 0.00 0.00 29.16 28.42 3gtj h TRP 656 CO -0.10 -0.49 -0.48 1.25 -2.79 0.00 0.00 178.44 175.83 3gtj h LEU 657 N -0.46 -1.67 -0.96 0.65 5.85 -0.41 -2.00 115.31 116.31 3gtj h LEU 657 Ca 0.08 0.26 0.23 0.00 0.84 0.00 0.00 57.88 59.29 3gtj h LEU 657 Cb 0.63 0.74 -0.12 0.00 0.37 0.00 0.00 40.66 42.27 3gtj h LEU 657 CO -0.47 -0.34 0.53 0.25 -0.34 0.00 0.00 178.44 178.06 3gtj h LEU 658 N -0.24 0.57 -2.86 2.25 5.85 0.20 1.31 115.31 122.39 3gtj h LEU 658 Ca 0.15 0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3gtj h LEU 658 Cb 0.56 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3gtj h LEU 658 CO -0.70 0.09 0.00 1.41 -0.34 0.00 0.00 178.44 178.90 3gtj n HIS 659 N -4.93 1.45 0.00 1.25 8.25 -0.81 -4.29 115.22 116.15 3gtj n HIS 659 Ca 0.25 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 3gtj n HIS 659 Cb 0.69 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.50 3gtj n HIS 659 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3gtj n ASN 660 N 0.78 3.99 0.00 0.41 2.85 0.43 -5.07 115.26 118.66 3gtj n ASN 660 Ca 0.22 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 3gtj n ASN 660 Cb 0.87 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.90 3gtj n ASN 660 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3gtj n GLY 661 N 3.48 0.85 3.26 8.20 0.00 -0.16 -5.09 105.19 115.74 3gtj n GLY 661 Ca 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 3gtj n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gtj s PHE 662 N -1.52 -0.21 0.36 1.61 5.36 -1.26 -5.06 117.98 117.25 3gtj s PHE 662 Ca 0.00 0.30 -0.10 0.00 -0.96 0.00 0.00 56.93 56.17 3gtj s PHE 662 Cb 0.00 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.83 3gtj s PHE 662 CO 0.00 -0.42 0.64 0.45 -1.46 0.00 0.00 175.22 174.43 3gtj s SER 663 N -1.41 0.40 -0.26 6.13 0.15 -1.26 -5.16 113.70 112.28 3gtj s SER 663 Ca -0.12 -1.27 -0.04 0.00 0.70 0.00 0.00 55.95 55.22 3gtj s SER 663 Cb -0.04 0.76 0.14 0.00 -1.71 0.00 0.00 66.02 65.17 3gtj s SER 663 CO 0.04 -1.49 0.49 -0.89 1.20 0.00 0.00 173.24 172.59 3gtj s THR 664 N -2.74 -0.79 0.34 6.45 2.01 -1.26 -4.79 115.64 114.86 3gtj s THR 664 Ca 0.22 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.28 3gtj s THR 664 Cb -0.03 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.66 3gtj s THR 664 CO 0.15 -0.03 0.43 0.61 -0.69 0.00 0.00 174.62 175.08 3gtj n GLY 665 N 5.40 2.15 0.15 4.40 0.00 -1.26 -5.03 105.19 111.00 3gtj n GLY 665 Ca -0.05 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.65 3gtj n GLY 665 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gtj h ILE 666 N 0.18 1.43 0.00 -0.61 5.03 -2.02 -2.61 117.51 118.90 3gtj h ILE 666 Ca -0.17 -2.52 0.00 0.00 -0.12 0.00 0.00 64.86 62.05 3gtj h ILE 666 Cb 0.75 2.45 0.00 0.00 -3.03 0.00 0.00 36.82 36.99 3gtj h ILE 666 CO 0.25 0.75 0.59 1.23 -0.68 0.00 0.00 178.15 180.29 3gtj h GLY 667 N 1.40 0.00 -0.61 5.37 0.00 -1.97 1.56 103.07 108.82 3gtj h GLY 667 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3gtj h GLY 667 CO 0.16 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.92 3gtj n ASP 668 N -2.06 1.42 -0.28 0.19 8.00 -0.98 -3.58 116.55 119.26 3gtj n ASP 668 Ca -0.00 -1.67 0.04 0.00 0.71 0.00 0.00 54.79 53.87 3gtj n ASP 668 Cb 0.60 -0.09 0.06 0.00 -0.02 0.00 0.00 41.12 41.67 3gtj n ASP 668 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3gtj n THR 669 N 0.16 0.81 -2.66 -3.53 -2.24 0.53 -4.63 114.28 102.71 3gtj n THR 669 Ca 0.16 -0.96 -0.27 0.00 -2.27 0.00 0.00 64.05 60.71 3gtj n THR 669 Cb 0.29 0.23 0.01 0.00 -2.10 0.00 0.00 70.33 68.75 3gtj n THR 669 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gtj s ILE 670 N -1.21 4.58 0.11 2.28 -1.09 -1.17 -4.58 121.20 120.12 3gtj s ILE 670 Ca 0.13 0.06 0.03 0.00 -2.23 0.00 0.00 60.65 58.63 3gtj s ILE 670 Cb 0.11 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 3gtj s ILE 670 CO 0.01 -0.71 -0.08 0.00 -1.23 0.00 0.00 174.94 172.93 3gtj s ALA 671 N -2.75 1.11 0.25 9.38 0.00 -1.26 -5.01 121.76 123.47 3gtj s ALA 671 Ca 0.48 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 3gtj s ALA 671 Cb -0.10 0.10 -0.15 0.00 0.00 0.00 0.00 23.12 22.97 3gtj s ALA 671 CO 0.44 -0.15 0.90 -0.25 0.00 0.00 0.00 175.76 176.70 3gtj n ASP 672 N 0.10 0.62 -0.18 0.00 9.92 -1.26 -4.65 116.55 121.10 3gtj n ASP 672 Ca -0.13 1.16 -0.02 0.00 -0.53 0.00 0.00 54.79 55.27 3gtj n ASP 672 Cb 0.60 -1.19 0.05 0.00 -0.64 0.00 0.00 41.12 39.94 3gtj n ASP 672 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3gtj h GLY 673 N 1.92 0.40 0.54 0.44 0.00 -2.00 0.42 103.07 104.80 3gtj h GLY 673 Ca -0.37 0.19 0.18 0.00 0.00 0.00 0.00 47.33 47.33 3gtj h GLY 673 CO 0.61 -0.21 0.53 -2.55 0.00 0.00 0.00 176.54 174.92 3gtj h PRO 674 N -0.00 0.29 0.03 4.80 0.11 -2.01 -2.78 132.00 132.44 3gtj h PRO 674 Ca 0.27 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.32 3gtj h PRO 674 Cb 0.41 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3gtj h PRO 674 CO -0.58 0.19 -0.18 1.15 -0.21 0.00 0.00 178.00 178.37 3gtj h THR 675 N 0.30 1.73 -0.81 -1.15 2.02 -1.16 -3.09 112.91 110.74 3gtj h THR 675 Ca 0.39 -2.38 0.19 0.00 0.77 0.00 0.00 66.41 65.38 3gtj h THR 675 Cb 1.08 3.34 -0.12 0.00 -1.74 0.00 0.00 68.15 70.71 3gtj h THR 675 CO -0.10 0.62 0.25 0.24 0.37 0.00 0.00 175.52 176.90 3gtj h MET 676 N -0.89 0.29 0.22 6.66 2.86 -0.30 0.11 114.93 123.89 3gtj h MET 676 Ca -0.03 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3gtj h MET 676 Cb 1.12 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 3gtj h MET 676 CO 0.02 0.19 -0.29 -0.09 1.06 0.00 0.00 176.91 177.80 3gtj h ARG 677 N 0.30 -0.55 -0.10 1.72 2.43 -1.61 -2.82 114.38 113.75 3gtj h ARG 677 Ca 0.48 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.72 3gtj h ARG 677 Cb 0.88 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3gtj h ARG 677 CO -0.54 -0.37 0.08 1.49 -1.51 0.00 0.00 179.97 179.12 3gtj h GLU 678 N -0.57 0.00 0.12 0.20 4.81 -0.77 -1.62 114.58 116.74 3gtj h GLU 678 Ca 0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3gtj h GLU 678 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3gtj h GLU 678 CO -0.11 0.00 -0.06 0.82 -0.73 0.00 0.00 179.01 178.94 3gtj h ILE 679 N 0.00 1.08 -0.50 2.32 2.04 -0.91 -2.02 117.51 119.52 3gtj h ILE 679 Ca 0.05 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 64.87 3gtj h ILE 679 Cb 0.21 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3gtj h ILE 679 CO -0.00 0.25 0.33 0.74 0.00 0.00 0.00 178.15 179.47 3gtj h THR 680 N -0.69 1.02 0.00 -0.27 2.02 -1.08 0.14 112.91 114.04 3gtj h THR 680 Ca -0.02 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3gtj h THR 680 Cb 0.52 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3gtj h THR 680 CO 0.03 0.09 0.00 -1.84 0.37 0.00 0.00 175.52 174.17 3gtj n GLU 681 N -4.47 0.23 0.00 6.66 0.28 -0.71 -1.78 120.64 120.84 3gtj n GLU 681 Ca 0.06 0.33 0.13 0.00 -0.16 0.00 0.00 57.16 57.52 3gtj n GLU 681 Cb 0.19 -1.85 0.26 0.00 1.43 0.00 0.00 31.44 31.47 3gtj n GLU 681 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 3gtj n THR 682 N -2.26 0.00 -0.06 3.84 5.66 0.41 -3.59 114.28 118.28 3gtj n THR 682 Ca 0.04 -0.27 -0.07 0.00 -3.05 0.00 0.00 64.05 60.69 3gtj n THR 682 Cb 0.32 0.88 -0.15 0.00 -1.55 0.00 0.00 70.33 69.83 3gtj n THR 682 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3gtj n ILE 683 N 0.15 1.31 0.14 1.09 2.08 -0.62 -4.51 119.36 119.01 3gtj n ILE 683 Ca 0.14 -0.80 -0.00 0.00 0.56 0.00 0.00 62.75 62.64 3gtj n ILE 683 Cb 0.44 -0.59 0.16 0.00 -0.75 0.00 0.00 39.64 38.90 3gtj n ILE 683 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gtj h ALA 684 N 1.12 0.88 -0.10 -1.39 0.00 -1.41 -0.18 119.26 118.18 3gtj h ALA 684 Ca -0.41 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.94 3gtj h ALA 684 Cb 2.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3gtj h ALA 684 CO 0.04 0.77 0.00 -0.85 0.00 0.00 0.00 179.25 179.21 3gtj n GLU 685 N -3.65 1.75 0.00 0.00 0.28 -1.24 -2.77 120.64 115.02 3gtj n GLU 685 Ca -0.01 -1.11 0.02 0.00 -0.16 0.00 0.00 57.16 55.90 3gtj n GLU 685 Cb 0.64 -1.44 -0.01 0.00 1.43 0.00 0.00 31.44 32.06 3gtj n GLU 685 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3gtj n ALA 686 N 0.34 2.43 0.67 -1.84 0.00 -1.08 -3.37 120.51 117.66 3gtj n ALA 686 Ca 0.18 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.51 3gtj n ALA 686 Cb 0.36 -0.11 0.01 0.00 0.00 0.00 0.00 19.45 19.71 3gtj n ALA 686 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gtj n LYS 687 N -0.70 0.22 -0.04 0.00 5.02 -0.10 -4.20 118.16 118.36 3gtj n LYS 687 Ca 0.01 -0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.23 3gtj n LYS 687 Cb 0.06 -1.56 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 3gtj n LYS 687 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3gtj n LYS 688 N -1.84 0.65 0.10 1.97 0.00 -1.11 -3.55 118.16 114.39 3gtj n LYS 688 Ca 0.02 0.11 0.11 0.00 0.00 0.00 0.00 58.31 58.56 3gtj n LYS 688 Cb 0.41 -1.66 0.46 0.00 0.00 0.00 0.00 35.03 34.23 3gtj n LYS 688 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3gtj n LYS 689 N -2.82 0.16 0.00 1.64 4.81 -1.22 -2.47 118.16 118.27 3gtj n LYS 689 Ca -0.20 0.38 -0.17 0.00 -0.87 0.00 0.00 58.31 57.45 3gtj n LYS 689 Cb 1.00 -1.80 -0.14 0.00 0.02 0.00 0.00 35.03 34.12 3gtj n LYS 689 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3gtj h VAL 690 N 0.00 0.74 0.00 3.15 2.07 -1.73 -3.24 116.25 117.23 3gtj h VAL 690 Ca 0.00 -2.50 -0.03 0.00 0.82 0.00 0.00 66.70 64.99 3gtj h VAL 690 Cb 0.36 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3gtj h VAL 690 CO 0.00 0.75 -0.15 0.25 0.02 0.00 0.00 177.57 178.43 3gtj h LEU 691 N 0.05 0.00 0.22 2.57 5.85 -1.53 -0.70 115.31 121.77 3gtj h LEU 691 Ca -0.36 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.03 3gtj h LEU 691 Cb 2.03 0.00 0.03 0.00 0.37 0.00 0.00 40.66 43.09 3gtj h LEU 691 CO 0.09 0.15 -1.42 0.44 -0.34 0.00 0.00 178.44 177.36 3gtj h ASP 692 N 0.00 0.76 1.02 1.25 3.32 -1.66 0.14 116.42 121.25 3gtj h ASP 692 Ca -0.00 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.24 3gtj h ASP 692 Cb 0.28 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3gtj h ASP 692 CO 0.02 1.63 0.00 0.58 -1.72 0.00 0.00 179.24 179.75 3gtj h VAL 693 N 0.14 0.00 0.00 -1.35 2.07 -1.51 0.62 116.25 116.22 3gtj h VAL 693 Ca -0.23 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 3gtj h VAL 693 Cb 2.12 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 3gtj h VAL 693 CO 0.26 0.00 -0.57 0.74 0.02 0.00 0.00 177.57 178.02 3gtj h THR 694 N 0.00 1.16 -1.01 2.57 2.02 -1.14 -3.06 112.91 113.45 3gtj h THR 694 Ca 0.00 -2.08 0.24 0.00 0.77 0.00 0.00 66.41 65.34 3gtj h THR 694 Cb 0.51 2.41 -0.10 0.00 -1.74 0.00 0.00 68.15 69.23 3gtj h THR 694 CO 0.00 0.39 0.64 0.50 0.37 0.00 0.00 175.52 177.42 3gtj h LYS 695 N -1.00 0.48 0.33 6.66 3.64 -0.31 -0.56 116.57 125.82 3gtj h LYS 695 Ca -0.15 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 3gtj h LYS 695 Cb 1.02 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3gtj h LYS 695 CO -0.09 0.32 -0.16 1.49 -2.27 0.00 0.00 179.45 178.74 3gtj h GLU 696 N 0.49 -0.43 -0.41 1.90 4.81 0.09 -3.28 114.58 117.76 3gtj h GLU 696 Ca 0.58 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.96 3gtj h GLU 696 Cb 1.31 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.77 3gtj h GLU 696 CO -0.32 -0.29 0.53 0.00 -0.73 0.00 0.00 179.01 178.20 3gtj h ALA 697 N -1.51 2.08 0.00 2.92 0.00 -1.26 0.24 119.26 121.73 3gtj h ALA 697 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gtj h ALA 697 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gtj h ALA 697 CO 0.08 -0.74 -0.44 1.96 0.00 0.00 0.00 179.25 180.10 3gtj h GLN 698 N 0.00 0.00 -0.60 0.00 4.20 -1.21 -3.04 115.11 114.45 3gtj h GLN 698 Ca 0.19 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.64 3gtj h GLN 698 Cb 1.26 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.88 3gtj h GLN 698 CO -0.00 0.00 0.21 0.00 -0.67 0.00 0.00 178.83 178.37 3gtj n ALA 699 N -2.08 4.57 -3.95 3.87 0.00 0.83 -4.98 120.51 118.77 3gtj n ALA 699 Ca 0.03 -2.81 -0.26 0.00 0.00 0.00 0.00 53.44 50.40 3gtj n ALA 699 Cb 0.52 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 3gtj n ALA 699 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gtj n ASN 700 N -0.86 -0.53 -0.00 0.00 2.85 -1.15 -4.87 115.26 110.70 3gtj n ASN 700 Ca 0.41 -1.02 0.03 0.00 -0.11 0.00 0.00 54.58 53.89 3gtj n ASN 700 Cb 1.27 -3.02 -0.04 0.00 1.24 0.00 0.00 39.78 39.23 3gtj n ASN 700 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3gtj n LEU 701 N -4.40 0.10 -4.57 1.20 4.77 -1.24 -4.97 117.00 107.88 3gtj n LEU 701 Ca -0.30 -0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.06 3gtj n LEU 701 Cb 0.68 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 3gtj n LEU 701 CO 0.75 0.03 1.38 -0.22 -1.33 0.00 0.00 177.39 178.00 3gtj s LEU 702 N -2.91 3.40 0.18 2.23 1.98 -1.26 -4.97 118.68 117.33 3gtj s LEU 702 Ca -0.00 0.47 -0.30 0.00 -2.89 0.00 0.00 54.13 51.41 3gtj s LEU 702 Cb 0.04 -3.02 -0.08 0.00 0.66 0.00 0.00 46.19 43.79 3gtj s LEU 702 CO 0.22 -1.86 1.16 -0.89 -1.89 0.00 0.00 176.35 173.09 3gtj s THR 703 N 6.87 3.67 0.08 3.68 2.01 -1.26 -5.01 115.64 125.69 3gtj s THR 703 Ca 0.60 1.42 -0.27 0.00 0.31 0.00 0.00 61.69 63.75 3gtj s THR 703 Cb -0.13 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 3gtj s THR 703 CO 0.25 0.24 0.86 0.00 -0.69 0.00 0.00 174.62 175.28 3gtj s ALA 704 N -0.14 3.31 0.32 7.40 0.00 -1.26 -5.03 121.76 126.37 3gtj s ALA 704 Ca 0.51 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 3gtj s ALA 704 Cb -0.31 -3.13 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 3gtj s ALA 704 CO 0.36 0.03 1.44 0.15 0.00 0.00 0.00 175.76 177.75 3gtj s LYS 705 N -0.09 4.21 -0.13 0.00 1.02 -1.26 -4.87 119.74 118.62 3gtj s LYS 705 Ca 0.42 2.42 -0.37 0.00 0.02 0.00 0.00 55.97 58.46 3gtj s LYS 705 Cb -0.22 -3.03 -0.14 0.00 -0.52 0.00 0.00 37.83 33.92 3gtj s LYS 705 CO 0.26 -0.43 1.76 1.58 -0.92 0.00 0.00 175.35 177.61 3gtj n HIS 706 N 1.20 2.15 -0.18 3.18 -0.00 -1.26 -1.74 115.22 118.56 3gtj n HIS 706 Ca 0.03 0.29 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 3gtj n HIS 706 Cb 0.40 -2.54 0.00 0.00 -0.00 0.00 0.00 29.99 27.84 3gtj n HIS 706 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3gtj n GLY 707 N 4.09 0.84 3.30 1.57 0.00 -1.26 -4.90 105.19 108.84 3gtj n GLY 707 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 3gtj n GLY 707 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3gtj s MET 708 N -0.65 1.19 0.86 1.61 0.00 -0.71 -4.86 119.30 116.74 3gtj s MET 708 Ca 0.00 -1.38 -0.13 0.00 0.00 0.00 0.00 55.69 54.18 3gtj s MET 708 Cb 0.00 -1.13 0.07 0.00 0.00 0.00 0.00 34.83 33.77 3gtj s MET 708 CO 0.00 0.22 0.90 2.41 0.00 0.00 0.00 175.02 178.55 3gtj n THR 709 N 0.25 0.94 -0.12 3.16 -1.04 -1.26 -4.42 114.28 111.79 3gtj n THR 709 Ca -0.13 -0.17 -0.05 0.00 -2.04 0.00 0.00 64.05 61.66 3gtj n THR 709 Cb 0.58 -0.94 0.14 0.00 -1.82 0.00 0.00 70.33 68.28 3gtj n THR 709 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3gtj h LEU 710 N -1.27 0.80 -0.82 -4.42 4.07 -1.95 -2.08 115.31 109.64 3gtj h LEU 710 Ca -0.45 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 57.21 3gtj h LEU 710 Cb 1.29 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 3gtj h LEU 710 CO 0.41 0.88 -0.46 0.03 -1.08 0.00 0.00 178.44 178.22 3gtj h ARG 711 N 0.76 0.00 -0.23 1.13 3.08 -1.98 -2.97 114.38 114.16 3gtj h ARG 711 Ca 0.14 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.03 3gtj h ARG 711 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 3gtj h ARG 711 CO 0.02 0.46 -0.52 0.93 -1.07 0.00 0.00 179.97 179.78 3gtj h GLU 712 N 0.00 0.67 0.00 0.04 5.08 -1.82 -1.68 114.58 116.87 3gtj h GLU 712 Ca -0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3gtj h GLU 712 Cb 0.99 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3gtj h GLU 712 CO 0.06 1.03 0.00 0.66 -1.00 0.00 0.00 179.01 179.76 3gtj h SER 713 N 0.52 0.00 0.06 1.42 4.64 -1.40 -1.43 113.55 117.36 3gtj h SER 713 Ca 0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3gtj h SER 713 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3gtj h SER 713 CO 0.11 0.00 -0.03 0.15 -0.87 0.00 0.00 176.83 176.19 3gtj h PHE 714 N 0.00 -0.07 0.21 4.77 3.57 -1.48 -2.68 116.94 121.26 3gtj h PHE 714 Ca 0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3gtj h PHE 714 Cb 0.88 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 3gtj h PHE 714 CO 0.00 0.48 -0.42 0.93 -2.23 0.00 0.00 178.31 177.06 3gtj h GLU 715 N -0.92 -0.69 -0.42 1.11 4.39 -1.28 -0.44 114.58 116.32 3gtj h GLU 715 Ca -0.01 0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.83 3gtj h GLU 715 Cb 0.59 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 29.31 3gtj h GLU 715 CO 0.01 -0.46 -0.15 0.22 -1.16 0.00 0.00 179.01 177.48 3gtj h ASP 716 N -0.72 -0.52 -0.18 1.42 -0.00 -1.42 -2.12 116.42 112.88 3gtj h ASP 716 Ca 0.00 0.14 0.02 0.00 -0.00 0.00 0.00 57.03 57.20 3gtj h ASP 716 Cb 0.71 0.31 -0.04 0.00 -0.00 0.00 0.00 39.33 40.31 3gtj h ASP 716 CO -0.19 -0.18 -0.26 0.78 -0.00 0.00 0.00 179.24 179.38 3gtj h ASN 717 N -0.05 -0.88 -0.08 2.28 2.35 -0.98 -2.77 115.58 115.44 3gtj h ASN 717 Ca 0.21 0.11 0.03 0.00 -0.55 0.00 0.00 56.30 56.10 3gtj h ASN 717 Cb 0.37 0.36 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 3gtj h ASN 717 CO -0.47 -0.20 -0.08 0.58 -1.65 0.00 0.00 177.43 175.61 3gtj h VAL 718 N -0.20 0.76 -0.81 2.81 2.07 -0.66 -2.03 116.25 118.19 3gtj h VAL 718 Ca 0.03 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.73 3gtj h VAL 718 Cb 0.29 0.76 -0.11 0.00 -1.52 0.00 0.00 31.29 30.71 3gtj h VAL 718 CO -0.28 0.00 0.31 0.58 0.02 0.00 0.00 177.57 178.20 3gtj h VAL 719 N -0.11 0.56 -0.30 2.57 2.07 -1.32 -0.01 116.25 119.71 3gtj h VAL 719 Ca 0.06 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3gtj h VAL 719 Cb 0.20 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3gtj h VAL 719 CO -0.15 0.07 -0.01 0.03 0.02 0.00 0.00 177.57 177.53 3gtj h ARG 720 N 0.40 0.54 -0.86 1.57 3.08 -1.13 -2.27 114.38 115.71 3gtj h ARG 720 Ca 0.47 -0.18 0.25 0.00 0.07 0.00 0.00 59.98 60.59 3gtj h ARG 720 Cb 0.81 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 3gtj h ARG 720 CO -0.48 0.69 0.69 0.74 -1.07 0.00 0.00 179.97 180.55 3gtj h PHE 721 N 0.33 0.00 0.00 3.04 0.05 -0.33 -1.50 116.94 118.53 3gtj h PHE 721 Ca 0.08 0.00 -0.25 0.00 3.82 0.00 0.00 57.97 61.62 3gtj h PHE 721 Cb 0.46 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.36 3gtj h PHE 721 CO 0.04 0.00 -1.97 1.28 -0.18 0.00 0.00 178.31 177.48 3gtj n LEU 722 N -4.03 0.37 0.05 1.54 4.77 -0.79 -3.35 117.00 115.56 3gtj n LEU 722 Ca 0.18 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.21 3gtj n LEU 722 Cb 0.99 0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 42.26 3gtj n LEU 722 CO 0.35 0.32 0.44 0.78 -1.33 0.00 0.00 177.39 177.95 3gtj h ASN 723 N 0.00 -0.17 -1.03 -1.43 2.35 -0.80 -2.98 115.58 111.52 3gtj h ASN 723 Ca -0.32 -0.37 0.29 0.00 -0.55 0.00 0.00 56.30 55.34 3gtj h ASN 723 Cb 1.85 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 40.22 3gtj h ASN 723 CO 0.04 0.37 0.73 -0.33 -1.65 0.00 0.00 177.43 176.59 3gtj h GLU 724 N -0.81 0.05 -0.40 0.81 5.08 -1.50 0.29 114.58 118.09 3gtj h GLU 724 Ca -0.02 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3gtj h GLU 724 Cb 0.53 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3gtj h GLU 724 CO 0.03 0.03 -0.23 0.00 -1.00 0.00 0.00 179.01 177.85 3gtj h ALA 725 N 1.50 0.85 0.17 3.43 0.00 -1.54 -1.94 119.26 121.71 3gtj h ALA 725 Ca 0.50 -0.38 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 3gtj h ALA 725 Cb 1.91 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 19.57 3gtj h ALA 725 CO -0.04 0.64 -1.14 -0.09 0.00 0.00 0.00 179.25 178.63 3gtj h ARG 726 N 0.70 0.48 0.00 0.00 2.43 -0.79 -2.75 114.38 114.44 3gtj h ARG 726 Ca 0.09 -0.73 -0.06 0.00 -0.81 0.00 0.00 59.98 58.47 3gtj h ARG 726 Cb 0.75 0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3gtj h ARG 726 CO 0.06 1.34 -0.26 -0.44 -1.51 0.00 0.00 179.97 179.15 3gtj h ASP 727 N -0.01 0.00 -0.33 -3.80 5.19 -1.53 1.72 116.42 117.66 3gtj h ASP 727 Ca -0.19 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.11 3gtj h ASP 727 Cb 1.87 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.37 3gtj h ASP 727 CO 0.22 0.26 -0.23 0.50 -3.12 0.00 0.00 179.24 176.87 3gtj h LYS 728 N 0.00 0.74 0.18 3.56 1.63 -1.40 -2.30 116.57 118.98 3gtj h LYS 728 Ca -0.00 -0.36 -0.30 0.00 -0.85 0.00 0.00 60.65 59.14 3gtj h LYS 728 Cb 0.86 -0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.51 3gtj h LYS 728 CO 0.03 0.97 -1.34 0.00 -3.45 0.00 0.00 179.45 175.67 3gtj h ALA 729 N 0.75 -0.02 0.11 5.00 0.00 -1.11 -3.09 119.26 120.89 3gtj h ALA 729 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3gtj h ALA 729 Cb 0.79 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3gtj h ALA 729 CO 0.06 0.79 -0.20 0.78 0.00 0.00 0.00 179.25 180.68 3gtj h GLY 730 N 0.72 -1.08 0.05 0.00 0.00 0.25 -1.78 103.07 101.22 3gtj h GLY 730 Ca -0.20 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3gtj h GLY 730 CO 0.24 -0.35 0.00 0.54 0.00 0.00 0.00 176.54 176.97 3gtj n ARG 731 N -3.58 0.33 0.00 4.80 1.74 -0.87 0.12 116.66 119.21 3gtj n ARG 731 Ca -0.04 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.08 3gtj n ARG 731 Cb 0.17 -1.02 -0.12 0.00 -1.02 0.00 0.00 32.46 30.47 3gtj n ARG 731 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3gtj n LEU 732 N -0.52 0.37 0.00 0.55 0.00 -0.70 -4.05 117.00 112.65 3gtj n LEU 732 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 56.01 56.08 3gtj n LEU 732 Cb 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 43.42 43.40 3gtj n LEU 732 CO 0.00 0.11 -0.37 0.00 0.00 0.00 0.00 177.39 177.14 3gtj h ALA 733 N 1.64 0.64 0.00 1.96 0.00 0.13 -3.27 119.26 120.36 3gtj h ALA 733 Ca -0.16 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.43 3gtj h ALA 733 Cb 1.42 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3gtj h ALA 733 CO 0.02 1.48 0.00 -1.91 0.00 0.00 0.00 179.25 178.84 3gtj n GLU 734 N -3.15 0.17 0.07 0.00 2.13 -1.02 -2.51 120.64 116.32 3gtj n GLU 734 Ca -0.13 0.31 0.09 0.00 0.66 0.00 0.00 57.16 58.08 3gtj n GLU 734 Cb 1.03 -1.77 -0.05 0.00 0.27 0.00 0.00 31.44 30.91 3gtj n GLU 734 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3gtj n VAL 735 N -2.08 0.64 1.22 6.31 0.31 -1.25 -4.13 118.33 119.34 3gtj n VAL 735 Ca 0.04 -0.58 0.13 0.00 -0.01 0.00 0.00 64.34 63.92 3gtj n VAL 735 Cb 0.29 -0.36 0.45 0.00 -0.91 0.00 0.00 33.84 33.31 3gtj n VAL 735 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3gtj n ASN 736 N -2.65 0.63 -4.76 4.52 5.15 -1.05 -4.92 115.26 112.19 3gtj n ASN 736 Ca -0.03 -0.51 -0.40 0.00 -0.60 0.00 0.00 54.58 53.03 3gtj n ASN 736 Cb 0.62 0.03 -0.06 0.00 -0.53 0.00 0.00 39.78 39.85 3gtj n ASN 736 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3gtj s LEU 737 N -2.65 4.62 0.70 1.20 1.43 -1.09 -4.78 118.68 118.11 3gtj s LEU 737 Ca 0.22 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 3gtj s LEU 737 Cb 0.19 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.95 3gtj s LEU 737 CO 0.55 0.17 1.09 -0.54 0.23 0.00 0.00 176.35 177.84 3gtj s LYS 738 N -1.09 2.87 0.45 1.70 1.02 -1.26 -4.98 119.74 118.46 3gtj s LYS 738 Ca 0.39 0.54 0.25 0.00 0.02 0.00 0.00 55.97 57.17 3gtj s LYS 738 Cb -0.25 -2.02 0.83 0.00 -0.52 0.00 0.00 37.83 35.88 3gtj s LYS 738 CO 0.29 -1.04 1.78 -0.44 -0.92 0.00 0.00 175.35 175.02 3gtj h ASP 739 N -0.66 0.00 -0.19 2.83 5.19 -2.01 -3.13 116.42 118.45 3gtj h ASP 739 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3gtj h ASP 739 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 3gtj h ASP 739 CO 0.63 0.17 0.00 0.00 -3.12 0.00 0.00 179.24 176.92 3gtj n LEU 740 N -3.26 1.13 -4.59 1.55 -0.00 -1.26 -4.77 117.00 105.80 3gtj n LEU 740 Ca 0.01 -0.56 -0.43 0.00 -0.00 0.00 0.00 56.01 55.03 3gtj n LEU 740 Cb 0.45 -0.16 -0.04 0.00 -0.00 0.00 0.00 43.42 43.67 3gtj n LEU 740 CO 0.33 0.26 0.74 0.21 -0.00 0.00 0.00 177.39 178.94 3gtj s ASN 741 N -0.93 6.63 0.17 1.45 2.47 -1.19 -4.96 114.94 118.58 3gtj s ASN 741 Ca 0.13 0.47 -0.14 0.00 0.42 0.00 0.00 52.86 53.73 3gtj s ASN 741 Cb 0.07 -2.46 0.13 0.00 -1.45 0.00 0.00 41.25 37.54 3gtj s ASN 741 CO 0.08 -0.89 1.73 0.78 -3.72 0.00 0.00 177.10 175.09 3gtj h ASN 742 N 8.60 0.07 -0.64 -4.21 -0.26 -1.88 -1.03 115.58 116.22 3gtj h ASN 742 Ca -0.23 0.07 0.06 0.00 -0.56 0.00 0.00 56.30 55.63 3gtj h ASN 742 Cb 1.08 0.08 -0.05 0.00 -1.06 0.00 0.00 38.32 38.36 3gtj h ASN 742 CO 0.98 0.07 0.35 0.58 -1.06 0.00 0.00 177.43 178.36 3gtj h VAL 743 N 0.26 0.97 -0.44 2.81 2.07 -1.87 -1.95 116.25 118.10 3gtj h VAL 743 Ca 0.21 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3gtj h VAL 743 Cb 0.24 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3gtj h VAL 743 CO -0.25 0.12 0.26 0.50 0.02 0.00 0.00 177.57 178.22 3gtj h LYS 744 N 0.66 0.60 0.00 1.57 3.64 -1.72 -2.81 116.57 118.52 3gtj h LYS 744 Ca 0.29 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3gtj h LYS 744 Cb 0.17 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3gtj h LYS 744 CO -0.18 0.46 0.00 1.96 -2.27 0.00 0.00 179.45 179.42 3gtj h GLN 745 N 0.58 0.00 0.12 1.90 4.20 -0.45 -0.08 115.11 121.39 3gtj h GLN 745 Ca 0.16 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.55 3gtj h GLN 745 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3gtj h GLN 745 CO -0.03 0.00 -1.65 0.52 -0.67 0.00 0.00 178.83 177.01 3gtj h MET 746 N 0.00 0.26 -0.27 1.46 2.86 -1.20 -3.14 114.93 114.90 3gtj h MET 746 Ca 0.00 -0.45 -0.10 0.00 -2.06 0.00 0.00 59.70 57.09 3gtj h MET 746 Cb 0.15 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3gtj h MET 746 CO 0.00 1.12 -0.23 0.28 1.06 0.00 0.00 176.91 179.14 3gtj h VAL 747 N 0.07 1.31 0.00 -2.22 2.07 -0.99 0.41 116.25 116.90 3gtj h VAL 747 Ca -0.29 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 65.85 3gtj h VAL 747 Cb 2.04 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 3gtj h VAL 747 CO 0.15 0.44 0.00 0.24 0.02 0.00 0.00 177.57 178.42 3gtj h MET 748 N 0.37 0.00 0.05 1.57 2.07 -1.26 0.16 114.93 117.88 3gtj h MET 748 Ca 0.05 0.00 -0.38 0.00 -2.07 0.00 0.00 59.70 57.30 3gtj h MET 748 Cb 0.79 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.47 3gtj h MET 748 CO 0.06 0.00 -2.27 0.00 1.07 0.00 0.00 176.91 175.77 3gtj n ALA 749 N -1.93 1.20 -0.21 6.32 0.00 -1.04 -4.93 120.51 119.93 3gtj n ALA 749 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.53 3gtj n ALA 749 Cb 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3gtj n ALA 749 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtj n GLY 750 N 2.11 0.94 0.11 0.00 0.00 0.13 -3.16 105.19 105.31 3gtj n GLY 750 Ca -0.40 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 3gtj n GLY 750 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gtj h SER 751 N 0.00 -0.14 -4.85 1.61 4.64 -1.41 -3.46 113.55 109.94 3gtj h SER 751 Ca 0.00 -0.38 -0.13 0.00 -0.47 0.00 0.00 61.79 60.81 3gtj h SER 751 Cb 0.01 0.04 -0.21 0.00 -0.31 0.00 0.00 62.40 61.93 3gtj h SER 751 CO 0.00 0.34 -0.38 -0.54 -0.87 0.00 0.00 176.83 175.38 3gtj s LYS 752 N -4.10 0.55 0.00 4.77 -0.14 -1.25 -4.60 119.74 114.97 3gtj s LYS 752 Ca -0.15 -0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 3gtj s LYS 752 Cb 0.01 0.24 0.00 0.00 -1.68 0.00 0.00 37.83 36.40 3gtj s LYS 752 CO 0.59 -0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.45 3gtj n GLY 753 N 1.54 -1.61 0.00 -3.33 0.00 -1.26 -4.01 105.19 96.51 3gtj n GLY 753 Ca -0.21 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3gtj n GLY 753 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtj n SER 754 N -2.07 0.00 0.18 1.61 3.41 -1.26 -4.76 113.62 110.72 3gtj n SER 754 Ca 0.00 -0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.41 3gtj n SER 754 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3gtj n SER 754 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3gtj h PHE 755 N 0.11 -0.68 -0.56 7.33 3.57 -2.00 -3.05 116.94 121.65 3gtj h PHE 755 Ca 0.00 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.63 3gtj h PHE 755 Cb 0.00 0.26 -0.11 0.00 2.79 0.00 0.00 35.95 38.89 3gtj h PHE 755 CO 0.00 -0.35 -0.09 1.51 -2.23 0.00 0.00 178.31 177.15 3gtj n ILE 756 N -3.87 -0.24 -0.27 1.41 0.13 -1.26 -0.62 119.36 114.65 3gtj n ILE 756 Ca -0.07 1.27 -0.03 0.00 -1.10 0.00 0.00 62.75 62.82 3gtj n ILE 756 Cb 0.24 -1.80 0.13 0.00 -0.84 0.00 0.00 39.64 37.37 3gtj n ILE 756 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 3gtj h ASN 757 N 0.00 1.02 -0.24 9.51 4.21 -1.96 0.07 115.58 128.20 3gtj h ASN 757 Ca 0.30 -0.11 0.02 0.00 1.21 0.00 0.00 56.30 57.71 3gtj h ASN 757 Cb 0.51 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 3gtj h ASN 757 CO -0.56 0.85 0.11 0.40 -1.29 0.00 0.00 177.43 176.94 3gtj h ILE 758 N 1.12 0.98 -0.17 2.81 1.08 -0.89 -2.76 117.51 119.69 3gtj h ILE 758 Ca 0.27 -0.08 -0.03 0.00 -0.39 0.00 0.00 64.86 64.63 3gtj h ILE 758 Cb 0.10 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 3gtj h ILE 758 CO -0.04 0.04 -0.03 0.00 -0.69 0.00 0.00 178.15 177.44 3gtj h ALA 759 N 1.13 0.23 -0.25 1.87 0.00 -1.07 -1.16 119.26 120.00 3gtj h ALA 759 Ca 0.10 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gtj h ALA 759 Cb 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3gtj h ALA 759 CO -0.07 -0.02 -0.20 1.96 0.00 0.00 0.00 179.25 180.91 3gtj h GLN 760 N 0.03 -0.07 -0.36 0.00 1.08 -1.07 -0.58 115.11 114.13 3gtj h GLN 760 Ca 0.04 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 3gtj h GLN 760 Cb 0.45 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 3gtj h GLN 760 CO 0.01 -0.05 0.06 0.52 -0.95 0.00 0.00 178.83 178.43 3gtj h MET 761 N -0.07 0.54 0.00 1.46 2.86 -1.17 -2.87 114.93 115.69 3gtj h MET 761 Ca 0.04 -0.10 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 3gtj h MET 761 Cb 0.18 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3gtj h MET 761 CO -0.27 0.53 -1.64 0.43 1.06 0.00 0.00 176.91 177.02 3gtj n SER 762 N -4.32 2.91 0.00 1.22 7.64 -0.47 -2.78 113.62 117.83 3gtj n SER 762 Ca 0.02 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.86 3gtj n SER 762 Cb 0.21 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 3gtj n SER 762 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtj n ALA 763 N -2.90 0.00 -3.47 -0.43 0.00 -0.36 -4.84 120.51 108.51 3gtj n ALA 763 Ca -0.20 -0.09 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 3gtj n ALA 763 Cb 0.71 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.09 3gtj n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtj h VAL 765 N 3.51 0.84 0.00 0.00 -1.51 -1.65 -3.25 116.25 114.19 3gtj h VAL 765 Ca -0.28 -2.68 0.00 0.00 -1.23 0.00 0.00 66.70 62.51 3gtj h VAL 765 Cb 1.15 2.44 0.00 0.00 -2.13 0.00 0.00 31.29 32.76 3gtj h VAL 765 CO 0.31 0.54 0.00 0.61 -1.23 0.00 0.00 177.57 177.80 3gtj n GLY 766 N 1.60 -2.16 3.79 5.19 0.00 -1.18 -4.87 105.19 107.55 3gtj n GLY 766 Ca -0.18 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 3gtj n GLY 766 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gtj s GLN 767 N -0.29 4.01 0.60 1.61 2.00 -1.26 -2.05 119.66 124.29 3gtj s GLN 767 Ca 0.00 1.40 0.06 0.00 -2.00 0.00 0.00 55.36 54.83 3gtj s GLN 767 Cb 0.00 -2.31 0.09 0.00 0.80 0.00 0.00 33.01 31.59 3gtj s GLN 767 CO 0.00 -0.26 0.83 -0.65 -0.50 0.00 0.00 175.29 174.72 3gtj s GLN 768 N -2.88 2.17 -0.16 1.67 1.11 -0.70 -4.95 119.66 115.92 3gtj s GLN 768 Ca 0.62 -1.43 -0.28 0.00 0.01 0.00 0.00 55.36 54.27 3gtj s GLN 768 Cb -0.18 -2.56 0.09 0.00 -1.01 0.00 0.00 33.01 29.35 3gtj s GLN 768 CO 0.23 -0.98 0.82 -1.54 0.01 0.00 0.00 175.29 173.83 3gtj s SER 769 N -4.66 -0.58 -0.09 5.90 1.04 -1.26 -4.55 113.70 109.50 3gtj s SER 769 Ca 0.62 0.83 -0.10 0.00 0.48 0.00 0.00 55.95 57.79 3gtj s SER 769 Cb -0.06 0.75 0.03 0.00 0.10 0.00 0.00 66.02 66.83 3gtj s SER 769 CO 0.40 -0.39 0.27 -0.69 0.98 0.00 0.00 173.24 173.80 3gtj s VAL 770 N -0.59 0.01 0.00 5.02 1.01 -0.85 -4.65 120.40 120.34 3gtj s VAL 770 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3gtj s VAL 770 Cb -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.96 3gtj s VAL 770 CO 0.03 -0.03 0.00 -0.62 0.00 0.00 0.00 175.10 174.49 3gtj n GLU 771 N 2.79 -0.99 0.00 2.72 4.71 -1.26 -1.31 120.64 127.30 3gtj n GLU 771 Ca -0.14 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 3gtj n GLU 771 Cb 0.58 -4.65 0.00 0.00 -1.01 0.00 0.00 31.44 26.36 3gtj n GLU 771 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gtj n GLY 772 N -0.55 2.97 3.81 0.62 0.00 -1.26 -5.06 105.19 105.72 3gtj n GLY 772 Ca 0.00 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 3gtj n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gtj s LYS 773 N 0.00 4.31 0.96 1.61 1.02 -0.43 -5.01 119.74 122.20 3gtj s LYS 773 Ca 0.00 1.21 -0.16 0.00 0.02 0.00 0.00 55.97 57.04 3gtj s LYS 773 Cb 0.00 -2.38 0.25 0.00 -0.52 0.00 0.00 37.83 35.18 3gtj s LYS 773 CO 0.00 0.04 0.60 2.89 -0.92 0.00 0.00 175.35 177.96 3gtj n ARG 774 N -0.26 -3.72 -1.86 1.68 1.85 -1.26 -2.02 116.66 111.07 3gtj n ARG 774 Ca 0.05 -1.00 -0.42 0.00 -1.00 0.00 0.00 57.85 55.49 3gtj n ARG 774 Cb 0.53 -1.24 -0.03 0.00 -1.05 0.00 0.00 32.46 30.67 3gtj n ARG 774 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3gtj s ILE 775 N -1.82 2.93 1.23 8.89 -1.09 -0.74 -4.66 121.20 125.94 3gtj s ILE 775 Ca 0.45 0.35 -0.18 0.00 -2.23 0.00 0.00 60.65 59.04 3gtj s ILE 775 Cb -0.07 -3.23 0.29 0.00 -1.58 0.00 0.00 42.46 37.87 3gtj s ILE 775 CO 0.37 -0.00 1.04 0.00 -1.23 0.00 0.00 174.94 175.11 3gtj s ALA 776 N 2.87 0.01 -0.73 9.38 0.00 -1.26 -4.78 121.76 127.24 3gtj s ALA 776 Ca 0.77 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 3gtj s ALA 776 Cb -0.41 -3.02 0.19 0.00 0.00 0.00 0.00 23.12 19.88 3gtj s ALA 776 CO 0.34 -3.82 0.62 -0.06 0.00 0.00 0.00 175.76 172.84 3gtj s PHE 777 N -2.67 3.60 -0.08 0.00 0.40 -1.26 -4.57 117.98 113.40 3gtj s PHE 777 Ca 0.69 -2.27 -0.26 0.00 -0.60 0.00 0.00 56.93 54.48 3gtj s PHE 777 Cb -0.16 -3.56 -0.24 0.00 0.51 0.00 0.00 43.02 39.57 3gtj s PHE 777 CO 0.59 -0.93 0.96 0.78 0.70 0.00 0.00 175.22 177.32 3gtj h GLY 778 N 7.50 0.12 -1.87 4.36 0.00 -1.81 -3.44 103.07 107.92 3gtj h GLY 778 Ca 0.04 -0.22 -0.46 0.00 0.00 0.00 0.00 47.33 46.69 3gtj h GLY 778 CO 0.74 0.20 0.36 -1.36 0.00 0.00 0.00 176.54 176.48 3gtj s PHE 779 N -2.92 3.40 -0.20 5.60 0.40 -1.24 -4.98 117.98 118.04 3gtj s PHE 779 Ca -0.17 1.52 -0.29 0.00 -0.60 0.00 0.00 56.93 57.39 3gtj s PHE 779 Cb -0.00 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 3gtj s PHE 779 CO 0.72 -0.27 1.84 0.08 0.70 0.00 0.00 175.22 178.30 3gtj s VAL 780 N -2.45 3.39 -0.43 -0.44 1.01 -1.26 -2.40 120.40 117.82 3gtj s VAL 780 Ca 0.60 0.44 0.00 0.00 0.00 0.00 0.00 61.98 63.02 3gtj s VAL 780 Cb -0.10 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3gtj s VAL 780 CO 0.24 -0.20 0.00 0.47 0.00 0.00 0.00 175.10 175.61 3gtj n ASP 781 N 9.34 -5.55 -3.54 3.32 8.00 -1.26 -4.88 116.55 121.98 3gtj n ASP 781 Ca 0.22 0.10 -0.19 0.00 0.71 0.00 0.00 54.79 55.64 3gtj n ASP 781 Cb 0.45 -3.40 -0.08 0.00 -0.02 0.00 0.00 41.12 38.06 3gtj n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtj s ARG 782 N -2.15 1.67 -0.24 -1.24 1.70 -1.01 0.92 118.95 118.60 3gtj s ARG 782 Ca 0.00 -1.96 -0.14 0.00 -0.47 0.00 0.00 55.73 53.16 3gtj s ARG 782 Cb 0.00 0.26 -0.10 0.00 -0.57 0.00 0.00 34.95 34.54 3gtj s ARG 782 CO 0.00 -0.60 -0.33 2.41 -1.08 0.00 0.00 175.30 175.70 3gtj n THR 783 N -0.58 1.44 -4.21 4.99 -1.04 -1.26 -3.71 114.28 109.90 3gtj n THR 783 Ca 0.06 -0.28 -0.18 0.00 -2.04 0.00 0.00 64.05 61.61 3gtj n THR 783 Cb 0.63 -1.93 -0.12 0.00 -1.82 0.00 0.00 70.33 67.10 3gtj n THR 783 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3gtj s LEU 784 N -7.48 2.33 0.00 -4.42 1.43 -1.26 -4.50 118.68 104.78 3gtj s LEU 784 Ca -0.35 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.07 3gtj s LEU 784 Cb 0.12 -0.55 0.11 0.00 0.03 0.00 0.00 46.19 45.91 3gtj s LEU 784 CO 0.45 -0.10 0.41 -2.65 0.23 0.00 0.00 176.35 174.69 3gtj n PRO 785 N 0.95 0.11 -0.27 1.29 -0.02 -1.26 -0.88 135.00 134.92 3gtj n PRO 785 Ca -0.19 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.40 3gtj n PRO 785 Cb 0.55 -1.26 0.27 0.00 -0.02 0.00 0.00 33.50 33.04 3gtj n PRO 785 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3gtj n HIS 786 N -0.76 0.70 -4.36 6.00 8.25 -1.26 -4.94 115.22 118.85 3gtj n HIS 786 Ca 0.01 -0.35 -0.21 0.00 -0.26 0.00 0.00 57.72 56.91 3gtj n HIS 786 Cb 0.01 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.01 3gtj n HIS 786 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3gtj s PHE 787 N -1.30 1.89 0.99 4.41 2.99 -0.06 -5.16 117.98 121.74 3gtj s PHE 787 Ca 0.40 -0.47 -0.14 0.00 0.00 0.00 0.00 56.93 56.72 3gtj s PHE 787 Cb 0.21 -0.90 0.18 0.00 0.00 0.00 0.00 43.02 42.52 3gtj s PHE 787 CO 0.28 0.41 1.14 -1.12 -0.00 0.00 0.00 175.22 175.94 3gtj s SER 788 N -3.01 2.83 0.63 1.36 0.01 -1.26 -4.95 113.70 109.31 3gtj s SER 788 Ca 0.20 0.87 -0.09 0.00 1.31 0.00 0.00 55.95 58.24 3gtj s SER 788 Cb -0.04 -1.35 -0.00 0.00 0.21 0.00 0.00 66.02 64.84 3gtj s SER 788 CO 0.08 -2.97 0.99 -0.54 0.41 0.00 0.00 173.24 171.22 3gtj s LYS 789 N -5.31 3.07 -1.03 12.44 1.02 -1.26 -4.52 119.74 124.15 3gtj s LYS 789 Ca 0.66 0.34 -0.14 0.00 0.02 0.00 0.00 55.97 56.86 3gtj s LYS 789 Cb -0.13 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.02 3gtj s LYS 789 CO 0.55 -0.77 0.77 -0.25 -0.92 0.00 0.00 175.35 174.72 3gtj n ASP 790 N -2.76 -5.79 -3.71 2.83 9.92 0.26 -4.96 116.55 112.34 3gtj n ASP 790 Ca 0.05 -0.84 -0.30 0.00 -0.53 0.00 0.00 54.79 53.18 3gtj n ASP 790 Cb 0.57 -3.63 -0.14 0.00 -0.64 0.00 0.00 41.12 37.27 3gtj n ASP 790 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gtj s ASP 791 N -3.32 3.89 -0.41 -2.24 2.15 -1.26 -5.02 116.67 110.45 3gtj s ASP 791 Ca 0.34 -1.82 0.03 0.00 0.43 0.00 0.00 52.55 51.54 3gtj s ASP 791 Cb -0.11 -0.84 0.57 0.00 -0.30 0.00 0.00 42.92 42.24 3gtj s ASP 791 CO 0.84 -0.39 1.83 -1.22 -0.17 0.00 0.00 175.17 176.06 3gtj n TYR 792 N 4.61 2.73 -2.01 -5.34 4.02 -1.26 -4.67 117.16 115.23 3gtj n TYR 792 Ca 0.00 -1.78 -0.28 0.00 -0.01 0.00 0.00 57.90 55.83 3gtj n TYR 792 Cb 0.40 -0.91 0.06 0.00 -0.02 0.00 0.00 39.34 38.88 3gtj n TYR 792 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3gtj s SER 793 N -1.06 5.01 0.10 7.72 1.04 -1.26 -4.91 113.70 120.35 3gtj s SER 793 Ca 0.51 0.83 -0.32 0.00 0.48 0.00 0.00 55.95 57.45 3gtj s SER 793 Cb 0.43 -1.52 -0.12 0.00 0.10 0.00 0.00 66.02 64.90 3gtj s SER 793 CO 0.09 -1.56 1.59 1.55 0.98 0.00 0.00 173.24 175.90 3gtj h PRO 794 N -0.73 -0.72 -0.65 4.02 0.13 -1.94 -2.93 132.00 129.18 3gtj h PRO 794 Ca -0.45 0.05 0.08 0.00 -0.87 0.00 0.00 66.00 64.80 3gtj h PRO 794 Cb 1.29 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.55 3gtj h PRO 794 CO 0.64 -0.48 0.43 1.05 -0.23 0.00 0.00 178.00 179.41 3gtj h GLU 795 N -0.75 0.58 -0.17 0.86 9.09 -1.95 -2.15 114.58 120.09 3gtj h GLU 795 Ca -0.01 -0.03 -0.13 0.00 0.05 0.00 0.00 59.36 59.23 3gtj h GLU 795 Cb 0.71 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.67 3gtj h GLU 795 CO -0.15 0.38 -0.47 1.03 0.05 0.00 0.00 179.01 179.86 3gtj h SER 796 N 0.59 0.46 -0.36 3.06 0.87 -1.84 -3.32 113.55 113.01 3gtj h SER 796 Ca 0.29 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3gtj h SER 796 Cb 0.37 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3gtj h SER 796 CO -0.09 0.87 0.00 0.29 -0.53 0.00 0.00 176.83 177.36 3gtj n LYS 797 N -3.99 3.18 0.00 2.24 5.02 -0.85 -4.72 118.16 119.04 3gtj n LYS 797 Ca -0.02 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.61 3gtj n LYS 797 Cb 0.54 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3gtj n LYS 797 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gtj n GLY 798 N 0.08 1.78 3.53 0.72 0.00 -0.97 -1.79 105.19 108.54 3gtj n GLY 798 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3gtj n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gtj s PHE 799 N -2.00 3.20 -0.59 1.61 5.36 -1.02 -1.71 117.98 122.82 3gtj s PHE 799 Ca 0.00 -0.08 -0.27 0.00 -0.96 0.00 0.00 56.93 55.62 3gtj s PHE 799 Cb 0.00 -2.76 0.04 0.00 -0.34 0.00 0.00 43.02 39.96 3gtj s PHE 799 CO 0.00 -0.51 1.11 0.08 -1.46 0.00 0.00 175.22 174.44 3gtj s VAL 800 N 2.10 4.12 0.07 3.12 1.01 -0.87 -4.51 120.40 125.44 3gtj s VAL 800 Ca 0.13 0.60 -0.28 0.00 0.00 0.00 0.00 61.98 62.43 3gtj s VAL 800 Cb -0.17 -4.69 -0.17 0.00 0.00 0.00 0.00 36.38 31.36 3gtj s VAL 800 CO 0.12 -1.33 1.63 -0.08 0.00 0.00 0.00 175.10 175.45 3gtj h GLU 801 N 9.52 -0.43 -7.24 2.72 4.22 -1.96 -3.13 114.58 118.28 3gtj h GLU 801 Ca -0.26 0.03 -0.52 0.00 0.08 0.00 0.00 59.36 58.69 3gtj h GLU 801 Cb 1.06 0.10 0.14 0.00 0.50 0.00 0.00 28.75 30.55 3gtj h GLU 801 CO 1.17 -0.26 0.33 -0.80 -2.18 0.00 0.00 179.01 177.27 3gtj s ASN 802 N -4.83 4.31 0.41 1.04 0.01 -1.26 -4.15 114.94 110.46 3gtj s ASN 802 Ca -0.15 2.06 0.03 0.00 -0.71 0.00 0.00 52.86 54.09 3gtj s ASN 802 Cb 0.04 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 39.15 3gtj s ASN 802 CO 0.63 -2.17 0.59 -0.94 -1.51 0.00 0.00 177.10 173.70 3gtj s SER 803 N -2.72 5.85 0.60 -1.22 1.04 -1.25 -3.01 113.70 112.99 3gtj s SER 803 Ca 0.67 0.05 0.29 0.00 0.48 0.00 0.00 55.95 57.44 3gtj s SER 803 Cb -0.22 -1.34 1.60 0.00 0.10 0.00 0.00 66.02 66.16 3gtj s SER 803 CO 0.50 -0.62 2.00 1.88 0.98 0.00 0.00 173.24 177.97 3gtj h TYR 804 N 0.59 0.00 0.04 5.02 -1.99 -1.63 -1.46 116.97 117.54 3gtj h TYR 804 Ca -0.46 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.27 3gtj h TYR 804 Cb 1.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.99 3gtj h TYR 804 CO 0.43 0.00 -0.02 1.25 -0.00 0.00 0.00 178.16 179.82 3gtj h LEU 805 N 0.00 -0.05 -2.01 3.88 7.12 -1.79 -3.33 115.31 119.13 3gtj h LEU 805 Ca 0.12 -0.35 0.01 0.00 0.13 0.00 0.00 57.88 57.79 3gtj h LEU 805 Cb 0.79 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.93 3gtj h LEU 805 CO -0.00 0.61 0.01 0.03 -0.13 0.00 0.00 178.44 178.96 3gtj h ARG 806 N -0.99 0.00 0.00 1.25 3.08 -1.79 -3.48 114.38 112.45 3gtj h ARG 806 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3gtj h ARG 806 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3gtj h ARG 806 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 3gtj n GLY 807 N -1.54 1.33 3.78 0.04 0.00 -0.58 -4.98 105.19 103.25 3gtj n GLY 807 Ca -0.03 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 3gtj n GLY 807 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtj s LEU 808 N -0.33 2.59 0.41 0.99 1.02 -1.26 -4.69 118.68 117.41 3gtj s LEU 808 Ca 0.00 1.42 0.08 0.00 0.02 0.00 0.00 54.13 55.65 3gtj s LEU 808 Cb 0.00 -4.02 -0.01 0.00 0.02 0.00 0.00 46.19 42.19 3gtj s LEU 808 CO 0.00 -2.11 0.47 0.42 0.02 0.00 0.00 176.35 175.15 3gtj s THR 809 N -3.07 2.99 0.15 5.49 -4.23 -1.26 -4.87 115.64 110.85 3gtj s THR 809 Ca 0.61 -1.16 -0.28 0.00 -1.18 0.00 0.00 61.69 59.68 3gtj s THR 809 Cb -0.16 -3.05 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 3gtj s THR 809 CO 0.55 -0.03 1.57 -0.65 -0.54 0.00 0.00 174.62 175.52 3gtj h PRO 810 N 0.86 -0.31 0.17 3.99 0.11 -1.99 0.70 132.00 135.53 3gtj h PRO 810 Ca -0.41 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 3gtj h PRO 810 Cb 1.27 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3gtj h PRO 810 CO 0.51 -0.21 -0.08 1.96 -0.21 0.00 0.00 178.00 179.97 3gtj h GLN 811 N -0.32 -0.23 -0.53 1.05 7.50 -1.99 -2.43 115.11 118.16 3gtj h GLN 811 Ca 0.13 0.02 0.08 0.00 0.50 0.00 0.00 58.65 59.38 3gtj h GLN 811 Cb 0.58 0.05 -0.10 0.00 0.05 0.00 0.00 27.48 28.06 3gtj h GLN 811 CO -0.60 -0.01 -0.43 0.93 -1.50 0.00 0.00 178.83 177.22 3gtj h GLU 812 N -0.41 -0.24 -0.79 1.46 5.08 -1.83 0.16 114.58 118.00 3gtj h GLU 812 Ca -0.02 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.48 3gtj h GLU 812 Cb 0.32 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.49 3gtj h GLU 812 CO 0.04 -0.16 -0.37 0.35 -1.00 0.00 0.00 179.01 177.87 3gtj h PHE 813 N -0.25 -1.03 -0.33 4.33 3.57 0.69 0.69 116.94 124.60 3gtj h PHE 813 Ca 0.17 0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 3gtj h PHE 813 Cb 0.57 0.57 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 3gtj h PHE 813 CO -0.68 -0.39 -0.05 0.35 -2.23 0.00 0.00 178.31 175.30 3gtj h PHE 814 N -0.09 0.57 0.68 0.41 3.57 -0.29 -1.09 116.94 120.70 3gtj h PHE 814 Ca 0.28 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3gtj h PHE 814 Cb 0.57 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.16 3gtj h PHE 814 CO -0.76 0.59 -0.32 0.74 -2.23 0.00 0.00 178.31 176.32 3gtj h PHE 815 N 0.51 -0.84 -1.39 0.41 0.05 0.88 -2.41 116.94 114.14 3gtj h PHE 815 Ca 0.10 -0.02 0.41 0.00 3.82 0.00 0.00 57.97 62.28 3gtj h PHE 815 Cb 0.41 0.28 -0.08 0.00 2.00 0.00 0.00 35.95 38.56 3gtj h PHE 815 CO 0.01 -0.52 0.97 1.25 -0.18 0.00 0.00 178.31 179.84 3gtj h HIS 816 N -1.24 0.18 0.32 -0.55 2.76 -1.04 1.44 115.15 117.01 3gtj h HIS 816 Ca -0.09 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.07 3gtj h HIS 816 Cb 0.70 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.61 3gtj h HIS 816 CO 0.00 -0.03 -0.17 0.00 -1.30 0.00 0.00 177.93 176.43 3gtj h ALA 817 N 1.37 -0.45 -0.41 5.26 0.00 -0.90 -1.49 119.26 122.63 3gtj h ALA 817 Ca 0.71 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.62 3gtj h ALA 817 Cb 2.60 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 20.56 3gtj h ALA 817 CO -0.12 -0.76 0.29 0.52 0.00 0.00 0.00 179.25 179.19 3gtj h MET 818 N -0.45 0.13 0.00 0.00 2.86 0.25 -2.49 114.93 115.23 3gtj h MET 818 Ca -0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3gtj h MET 818 Cb 0.36 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3gtj h MET 818 CO 0.06 0.09 0.00 0.41 1.06 0.00 0.00 176.91 178.53 3gtj n GLY 819 N -1.58 -1.18 0.44 8.32 0.00 -0.86 -3.57 105.19 106.76 3gtj n GLY 819 Ca 0.06 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.42 3gtj n GLY 819 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gtj h GLY 820 N 0.00 1.43 0.22 -0.02 0.00 -1.23 0.77 103.07 104.23 3gtj h GLY 820 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.30 3gtj h GLY 820 CO 0.00 -0.40 0.12 -0.09 0.00 0.00 0.00 176.54 176.18 3gtj h ARG 821 N 0.15 0.25 -0.92 4.80 9.65 -1.53 -0.87 114.38 125.90 3gtj h ARG 821 Ca 0.78 -0.02 0.21 0.00 -1.10 0.00 0.00 59.98 59.86 3gtj h ARG 821 Cb 2.31 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 30.77 3gtj h ARG 821 CO -0.44 0.17 0.61 1.49 2.80 0.00 0.00 179.97 184.59 3gtj h GLU 822 N 0.26 0.39 0.27 0.20 4.81 0.52 -2.14 114.58 118.90 3gtj h GLU 822 Ca 0.30 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3gtj h GLU 822 Cb 0.44 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3gtj h GLU 822 CO -0.39 0.26 -0.34 0.78 -0.73 0.00 0.00 179.01 178.59 3gtj h GLY 823 N 0.41 -1.11 0.99 1.92 0.00 -1.24 -2.43 103.07 101.61 3gtj h GLY 823 Ca 0.49 0.53 0.10 0.00 0.00 0.00 0.00 47.33 48.44 3gtj h GLY 823 CO -0.19 -0.34 0.43 1.41 0.00 0.00 0.00 176.54 177.85 3gtj h LEU 824 N -0.63 0.44 -0.30 3.11 3.38 -1.45 -2.26 115.31 117.59 3gtj h LEU 824 Ca -0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gtj h LEU 824 Cb 0.57 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3gtj h LEU 824 CO -0.08 0.26 0.17 0.40 0.09 0.00 0.00 178.44 179.28 3gtj h ILE 825 N 0.49 1.12 0.49 1.22 1.08 -1.20 -2.08 117.51 118.62 3gtj h ILE 825 Ca 0.30 -0.30 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 3gtj h ILE 825 Cb 0.52 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 3gtj h ILE 825 CO -0.09 0.12 -0.23 0.44 -0.69 0.00 0.00 178.15 177.69 3gtj h ASP 826 N 0.37 -0.55 -0.67 1.72 3.45 -0.92 -2.53 116.42 117.28 3gtj h ASP 826 Ca 0.11 0.02 0.20 0.00 0.43 0.00 0.00 57.03 57.78 3gtj h ASP 826 Cb 0.04 0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.93 3gtj h ASP 826 CO -0.02 -0.28 0.71 0.71 -1.57 0.00 0.00 179.24 178.79 3gtj h THR 827 N -0.89 0.26 -0.02 0.35 1.35 -1.59 1.30 112.91 113.68 3gtj h THR 827 Ca -0.07 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.70 3gtj h THR 827 Cb 0.50 0.44 0.01 0.00 -1.73 0.00 0.00 68.15 67.37 3gtj h THR 827 CO 0.11 0.00 -0.34 0.00 -0.25 0.00 0.00 175.52 175.04 3gtj h ALA 828 N 1.22 0.07 0.00 6.62 0.00 -1.15 -3.38 119.26 122.64 3gtj h ALA 828 Ca 0.32 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gtj h ALA 828 Cb 1.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3gtj h ALA 828 CO -0.00 0.17 -0.82 0.28 0.00 0.00 0.00 179.25 178.87 3gtj n VAL 829 N -4.42 0.00 0.09 0.00 0.31 0.35 -4.60 118.33 110.06 3gtj n VAL 829 Ca -0.09 -0.15 -0.14 0.00 -0.01 0.00 0.00 64.34 63.95 3gtj n VAL 829 Cb 0.54 0.60 -0.12 0.00 -0.91 0.00 0.00 33.84 33.95 3gtj n VAL 829 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3gtj h LYS 830 N 0.00 0.22 -0.98 5.55 3.64 0.13 -3.35 116.57 121.79 3gtj h LYS 830 Ca 0.00 -0.36 0.10 0.00 -1.27 0.00 0.00 60.65 59.12 3gtj h LYS 830 Cb 0.07 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 3gtj h LYS 830 CO 0.00 1.15 0.63 1.15 -2.27 0.00 0.00 179.45 180.11 3gtj h THR 831 N 0.07 0.98 0.00 1.00 2.02 -1.73 0.70 112.91 115.95 3gtj h THR 831 Ca -0.10 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3gtj h THR 831 Cb 1.88 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3gtj h THR 831 CO 0.18 0.19 0.11 0.00 0.37 0.00 0.00 175.52 176.37 3gtj n ALA 832 N -2.37 0.81 -0.11 6.16 0.00 -1.26 -0.28 120.51 123.47 3gtj n ALA 832 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 3gtj n ALA 832 Cb 0.29 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 3gtj n ALA 832 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gtj n GLU 833 N -1.28 0.52 0.12 0.00 1.02 0.22 -3.68 120.64 117.56 3gtj n GLU 833 Ca 0.00 0.22 0.06 0.00 -0.02 0.00 0.00 57.16 57.41 3gtj n GLU 833 Cb 0.11 -1.39 0.30 0.00 -0.02 0.00 0.00 31.44 30.44 3gtj n GLU 833 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3gtj n THR 834 N -4.26 0.82 -0.01 2.62 -1.04 -0.65 -0.39 114.28 111.37 3gtj n THR 834 Ca -0.33 0.69 0.05 0.00 -2.04 0.00 0.00 64.05 62.41 3gtj n THR 834 Cb 0.69 -1.69 -0.10 0.00 -1.82 0.00 0.00 70.33 67.41 3gtj n THR 834 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gtj n GLY 835 N -1.29 -0.62 0.12 3.41 0.00 0.62 -3.98 105.19 103.45 3gtj n GLY 835 Ca -0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3gtj n GLY 835 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3gtj h TYR 836 N 0.00 0.45 0.18 1.61 3.20 -0.92 -3.12 116.97 118.38 3gtj h TYR 836 Ca -0.05 -0.29 0.01 0.00 3.14 0.00 0.00 58.73 61.53 3gtj h TYR 836 Cb 0.78 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3gtj h TYR 836 CO 0.00 1.17 -0.19 0.82 -1.64 0.00 0.00 178.16 178.32 3gtj h ILE 837 N 0.12 0.58 -0.61 1.81 1.08 -0.92 -2.31 117.51 117.25 3gtj h ILE 837 Ca -0.09 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.50 3gtj h ILE 837 Cb 1.77 0.58 -0.09 0.00 -3.07 0.00 0.00 36.82 36.00 3gtj h ILE 837 CO 0.18 0.00 0.09 -0.61 -0.69 0.00 0.00 178.15 177.11 3gtj h GLN 838 N -0.41 0.20 -0.44 2.37 -0.00 -1.69 -0.17 115.11 114.97 3gtj h GLN 838 Ca 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 3gtj h GLN 838 Cb 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.80 3gtj h GLN 838 CO -0.05 0.13 0.16 0.00 0.00 0.00 0.00 178.83 179.07 3gtj h ARG 839 N 0.21 0.64 0.37 1.69 3.08 -1.43 -1.42 114.38 117.52 3gtj h ARG 839 Ca 0.32 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3gtj h ARG 839 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3gtj h ARG 839 CO -0.45 0.54 -0.18 0.00 -1.07 0.00 0.00 179.97 178.81 3gtj h ARG 840 N 0.63 -0.48 -0.85 0.04 3.08 -0.54 -1.34 114.38 114.92 3gtj h ARG 840 Ca 0.15 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.33 3gtj h ARG 840 Cb 0.16 0.11 -0.12 0.00 0.08 0.00 0.00 29.97 30.19 3gtj h ARG 840 CO -0.01 -0.24 -0.52 -0.07 -1.07 0.00 0.00 179.97 178.06 3gtj h LEU 841 N -1.07 -1.86 -0.50 3.04 3.38 -1.05 0.31 115.31 117.55 3gtj h LEU 841 Ca -0.05 0.30 0.08 0.00 0.09 0.00 0.00 57.88 58.30 3gtj h LEU 841 Cb 0.47 0.85 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 3gtj h LEU 841 CO 0.08 -0.28 0.10 0.58 0.09 0.00 0.00 178.44 179.01 3gtj h VAL 842 N -0.09 0.72 0.00 1.22 2.07 -1.33 -2.18 116.25 116.66 3gtj h VAL 842 Ca 0.19 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 3gtj h VAL 842 Cb 0.50 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3gtj h VAL 842 CO -0.86 0.04 -0.14 0.11 0.02 0.00 0.00 177.57 176.74 3gtj h LYS 843 N 0.23 0.00 0.00 1.57 1.79 0.70 -1.02 116.57 119.84 3gtj h LYS 843 Ca 0.25 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.61 3gtj h LYS 843 Cb 0.34 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 3gtj h LYS 843 CO -0.33 0.14 -1.02 0.00 -1.08 0.00 0.00 179.45 177.17 3gtj h ALA 844 N 1.86 0.65 0.00 3.86 0.00 -0.29 -3.41 119.26 121.92 3gtj h ALA 844 Ca -0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 3gtj h ALA 844 Cb 0.63 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3gtj h ALA 844 CO 0.02 0.61 -1.49 1.28 0.00 0.00 0.00 179.25 179.67 3gtj n LEU 845 N -2.94 1.79 0.00 0.00 4.77 -0.94 -4.89 117.00 114.78 3gtj n LEU 845 Ca -0.04 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3gtj n LEU 845 Cb 0.74 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3gtj n LEU 845 CO 0.41 0.01 0.00 1.21 -1.33 0.00 0.00 177.39 177.69 3gtj n GLU 846 N -4.24 0.00 0.00 3.23 2.13 -0.40 -1.67 120.64 119.69 3gtj n GLU 846 Ca -0.27 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.55 3gtj n GLU 846 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.32 3gtj n GLU 846 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3gtj n ASP 847 N 0.75 1.39 -4.43 4.31 5.75 -1.26 -3.02 116.55 120.04 3gtj n ASP 847 Ca 0.00 -1.55 -0.44 0.00 -0.01 0.00 0.00 54.79 52.80 3gtj n ASP 847 Cb 0.00 -0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 39.67 3gtj n ASP 847 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3gtj s ILE 848 N -0.51 4.65 0.04 2.12 -1.09 -0.67 -4.35 121.20 121.39 3gtj s ILE 848 Ca 0.00 -1.14 0.05 0.00 -2.23 0.00 0.00 60.65 57.33 3gtj s ILE 848 Cb 0.00 -4.69 -0.04 0.00 -1.58 0.00 0.00 42.46 36.15 3gtj s ILE 848 CO 0.00 -1.42 -0.08 0.00 -1.23 0.00 0.00 174.94 172.21 3gtj s MET 849 N 3.02 2.41 0.08 2.79 0.23 -1.17 -0.17 119.30 126.49 3gtj s MET 849 Ca 0.26 -0.83 -0.30 0.00 -1.03 0.00 0.00 55.69 53.78 3gtj s MET 849 Cb -0.12 -2.43 -0.06 0.00 -1.53 0.00 0.00 34.83 30.69 3gtj s MET 849 CO -0.01 0.57 1.17 0.08 -2.03 0.00 0.00 175.02 174.80 3gtj s VAL 850 N -1.07 4.05 0.50 5.16 1.01 -0.97 -3.52 120.40 125.56 3gtj s VAL 850 Ca 0.19 1.51 0.08 0.00 0.00 0.00 0.00 61.98 63.76 3gtj s VAL 850 Cb -0.11 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.35 3gtj s VAL 850 CO 0.10 0.14 0.68 -1.00 0.00 0.00 0.00 175.10 175.02 3gtj s HIS 851 N 0.84 2.21 -2.00 5.22 3.76 -1.14 -2.31 115.29 121.87 3gtj s HIS 851 Ca 0.57 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.97 3gtj s HIS 851 Cb -0.29 -2.34 0.03 0.00 1.11 0.00 0.00 32.58 31.09 3gtj s HIS 851 CO 0.30 -0.77 0.45 0.66 -0.85 0.00 0.00 174.74 174.52 3gtj n TYR 852 N -2.06 0.00 0.26 1.40 4.02 -1.26 -0.44 117.16 119.09 3gtj n TYR 852 Ca 0.11 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.03 3gtj n TYR 852 Cb 0.60 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.93 3gtj n TYR 852 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3gtj n ASP 853 N -0.52 1.25 0.00 7.72 5.68 -1.26 -5.01 116.55 124.41 3gtj n ASP 853 Ca 0.00 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 3gtj n ASP 853 Cb 0.00 0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 3gtj n ASP 853 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3gtj n ASN 854 N 0.03 -0.43 -4.86 -1.12 2.85 0.42 -5.03 115.26 107.12 3gtj n ASN 854 Ca 0.03 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.19 3gtj n ASN 854 Cb 0.14 -0.32 -0.04 0.00 1.24 0.00 0.00 39.78 40.80 3gtj n ASN 854 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3gtj s THR 855 N -3.47 4.67 -0.43 -0.44 -4.23 -1.26 -3.19 115.64 107.30 3gtj s THR 855 Ca 0.00 0.91 -0.17 0.00 -1.18 0.00 0.00 61.69 61.24 3gtj s THR 855 Cb 0.00 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.19 3gtj s THR 855 CO 0.00 -0.43 0.45 -0.89 -0.54 0.00 0.00 174.62 173.21 3gtj s THR 856 N -2.28 5.07 0.04 3.99 2.01 0.06 -2.89 115.64 121.64 3gtj s THR 856 Ca 0.54 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 3gtj s THR 856 Cb -0.10 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 3gtj s THR 856 CO 0.25 -0.47 -0.03 0.00 -0.69 0.00 0.00 174.62 173.69 3gtj s ARG 857 N 2.16 0.52 0.00 4.92 1.70 -1.23 0.62 118.95 127.64 3gtj s ARG 857 Ca 0.12 -1.02 0.00 0.00 -0.47 0.00 0.00 55.73 54.36 3gtj s ARG 857 Cb -0.18 0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.37 3gtj s ARG 857 CO 0.13 -0.09 0.00 0.27 -1.08 0.00 0.00 175.30 174.54 3gtj n ASN 858 N 0.60 0.00 0.27 -2.89 2.04 -1.15 -3.04 115.26 111.09 3gtj n ASN 858 Ca -0.17 -0.38 0.18 0.00 -0.44 0.00 0.00 54.58 53.77 3gtj n ASN 858 Cb 0.59 0.00 0.89 0.00 -2.53 0.00 0.00 39.78 38.73 3gtj n ASN 858 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 3gtj h SER 859 N 0.00 0.00 -0.02 0.53 4.64 -1.92 -2.47 113.55 114.30 3gtj h SER 859 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gtj h SER 859 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gtj h SER 859 CO 0.00 0.00 -0.13 0.18 -0.87 0.00 0.00 176.83 176.01 3gtj n LEU 860 N -2.82 2.60 0.00 5.97 4.77 -1.26 -4.85 117.00 121.41 3gtj n LEU 860 Ca -0.01 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 3gtj n LEU 860 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3gtj n LEU 860 CO 0.19 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3gtj n GLY 861 N 1.29 1.58 3.67 -0.72 0.00 -0.93 -4.99 105.19 105.09 3gtj n GLY 861 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3gtj n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gtj s ASN 862 N -3.29 6.50 0.47 1.61 0.01 -1.26 -4.77 114.94 114.22 3gtj s ASN 862 Ca 0.00 2.59 -0.24 0.00 -0.71 0.00 0.00 52.86 54.51 3gtj s ASN 862 Cb 0.00 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.05 3gtj s ASN 862 CO 0.00 -1.01 1.29 -0.69 -1.51 0.00 0.00 177.10 175.18 3gtj s VAL 863 N 3.88 2.55 -0.08 1.60 1.01 -1.26 -2.94 120.40 125.17 3gtj s VAL 863 Ca 0.83 0.44 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 3gtj s VAL 863 Cb -0.41 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3gtj s VAL 863 CO 0.38 0.02 -0.12 -0.38 0.00 0.00 0.00 175.10 174.99 3gtj n ILE 864 N -0.48 0.63 -4.27 2.22 2.08 0.20 -4.95 119.36 114.79 3gtj n ILE 864 Ca 0.07 -0.07 -0.18 0.00 0.56 0.00 0.00 62.75 63.13 3gtj n ILE 864 Cb 0.45 -1.66 -0.11 0.00 -0.75 0.00 0.00 39.64 37.58 3gtj n ILE 864 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3gtj s GLN 865 N -2.19 1.11 0.08 0.38 -0.21 -1.09 -4.95 119.66 112.79 3gtj s GLN 865 Ca -0.13 -1.33 0.23 0.00 0.02 0.00 0.00 55.36 54.15 3gtj s GLN 865 Cb 0.05 -0.98 0.07 0.00 1.00 0.00 0.00 33.01 33.15 3gtj s GLN 865 CO 0.16 0.18 1.05 1.19 -2.12 0.00 0.00 175.29 175.75 3gtj n PHE 866 N 0.30 0.41 -3.70 0.91 3.01 -1.26 -0.76 117.46 116.37 3gtj n PHE 866 Ca -0.14 0.12 -0.13 0.00 1.01 0.00 0.00 57.45 58.32 3gtj n PHE 866 Cb 0.58 -0.56 -0.13 0.00 -0.01 0.00 0.00 39.48 39.36 3gtj n PHE 866 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3gtj s ILE 867 N -3.24 -0.17 0.11 4.37 1.01 -1.26 -4.08 121.20 117.95 3gtj s ILE 867 Ca 0.03 0.19 -0.36 0.00 0.00 0.00 0.00 60.65 60.51 3gtj s ILE 867 Cb 0.13 -0.42 -0.16 0.00 0.01 0.00 0.00 42.46 42.03 3gtj s ILE 867 CO 0.79 0.08 1.36 0.00 0.00 0.00 0.00 174.94 177.17 3gtj n TYR 868 N 4.62 1.61 -2.60 3.97 9.36 -1.19 -0.47 117.16 132.46 3gtj n TYR 868 Ca -0.19 0.59 -0.13 0.00 3.32 0.00 0.00 57.90 61.48 3gtj n TYR 868 Cb 0.52 -2.36 -0.00 0.00 -0.63 0.00 0.00 39.34 36.87 3gtj n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gtj n GLY 869 N 2.59 -0.50 3.47 2.98 0.00 -1.26 0.02 105.19 112.49 3gtj n GLY 869 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3gtj n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtj n GLU 870 N -2.95 0.00 -0.03 1.61 1.02 0.38 -4.63 120.64 116.03 3gtj n GLU 870 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3gtj n GLU 870 Cb 0.59 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 3gtj n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3gtj n ASP 871 N 0.00 0.00 -3.55 1.62 5.75 -0.86 -4.76 116.55 114.75 3gtj n ASP 871 Ca 0.00 -1.03 -0.20 0.00 -0.01 0.00 0.00 54.79 53.56 3gtj n ASP 871 Cb 0.00 -0.01 0.06 0.00 -1.03 0.00 0.00 41.12 40.14 3gtj n ASP 871 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gtj n GLY 872 N 0.00 -0.47 3.13 6.12 0.00 0.10 -4.94 105.19 109.13 3gtj n GLY 872 Ca 0.00 0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3gtj n GLY 872 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gtj s MET 873 N -5.55 2.23 -0.30 1.61 0.00 -1.26 -2.24 119.30 113.79 3gtj s MET 873 Ca 0.09 -0.64 -0.29 0.00 0.00 0.00 0.00 55.69 54.85 3gtj s MET 873 Cb -0.02 -1.78 -0.00 0.00 0.00 0.00 0.00 34.83 33.02 3gtj s MET 873 CO 0.78 0.14 1.37 0.34 0.00 0.00 0.00 175.02 177.64 3gtj s ASP 874 N 0.39 6.59 0.40 1.11 -1.08 -0.92 -4.69 116.67 118.47 3gtj s ASP 874 Ca -0.13 1.24 0.33 0.00 -0.52 0.00 0.00 52.55 53.46 3gtj s ASP 874 Cb -0.16 -2.54 1.32 0.00 -1.46 0.00 0.00 42.92 40.09 3gtj s ASP 874 CO 0.05 -1.15 1.30 0.00 0.52 0.00 0.00 175.17 175.90 3gtj n ALA 875 N 7.89 1.31 0.25 3.66 0.00 -1.26 -1.51 120.51 130.85 3gtj n ALA 875 Ca 0.16 0.66 -0.16 0.00 0.00 0.00 0.00 53.44 54.09 3gtj n ALA 875 Cb 0.46 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 3gtj n ALA 875 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtj h ALA 876 N 1.14 -0.90 -0.15 0.00 0.00 -1.84 -3.28 119.26 114.22 3gtj h ALA 876 Ca 0.76 -0.14 -0.63 0.00 0.00 0.00 0.00 54.91 54.89 3gtj h ALA 876 Cb 2.68 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 21.04 3gtj h ALA 876 CO -0.24 -1.05 2.98 0.72 0.00 0.00 0.00 179.25 181.66 3gtj n HIS 877 N -5.50 2.16 -3.82 0.00 8.25 -0.57 -4.82 115.22 110.92 3gtj n HIS 877 Ca -0.10 -2.83 -0.12 0.00 -0.26 0.00 0.00 57.72 54.41 3gtj n HIS 877 Cb 0.40 -2.22 -0.10 0.00 1.12 0.00 0.00 29.99 29.19 3gtj n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gtj s ILE 878 N 1.20 0.05 -0.12 1.59 1.01 -1.24 -4.34 121.20 119.34 3gtj s ILE 878 Ca 0.66 -0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.67 3gtj s ILE 878 Cb 0.20 -0.44 0.06 0.00 0.01 0.00 0.00 42.46 42.30 3gtj s ILE 878 CO -0.07 -0.22 0.60 -1.83 0.00 0.00 0.00 174.94 173.43 3gtj s GLU 879 N -0.84 0.86 -0.37 2.79 -1.05 -1.04 -4.75 118.70 114.29 3gtj s GLU 879 Ca -0.09 0.46 -0.29 0.00 -0.15 0.00 0.00 54.97 54.90 3gtj s GLU 879 Cb -0.05 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 3gtj s GLU 879 CO 0.02 -0.20 1.42 -1.59 0.95 0.00 0.00 175.26 175.86 3gtj s LYS 880 N -0.55 3.65 -0.05 -4.83 -2.85 -1.26 -1.70 119.74 112.16 3gtj s LYS 880 Ca -0.07 1.08 0.04 0.00 -1.00 0.00 0.00 55.97 56.03 3gtj s LYS 880 Cb -0.03 -4.00 -0.00 0.00 -2.06 0.00 0.00 37.83 31.74 3gtj s LYS 880 CO 0.05 -1.46 -0.18 1.14 0.10 0.00 0.00 175.35 175.00 3gtj s GLN 881 N 4.78 1.98 0.50 1.78 -2.07 -1.17 -4.81 119.66 120.66 3gtj s GLN 881 Ca 0.62 -0.65 -0.22 0.00 -1.82 0.00 0.00 55.36 53.29 3gtj s GLN 881 Cb -0.16 -1.68 -0.06 0.00 -1.09 0.00 0.00 33.01 30.03 3gtj s GLN 881 CO 0.30 0.24 1.24 -1.54 -1.32 0.00 0.00 175.29 174.21 3gtj s SER 882 N 0.09 5.74 -0.90 12.60 1.04 -1.26 -3.65 113.70 127.36 3gtj s SER 882 Ca -0.06 2.47 -0.12 0.00 0.48 0.00 0.00 55.95 58.72 3gtj s SER 882 Cb -0.13 -2.61 0.23 0.00 0.10 0.00 0.00 66.02 63.61 3gtj s SER 882 CO 0.03 -1.22 0.85 -0.76 0.98 0.00 0.00 173.24 173.12 3gtj s LEU 883 N -3.32 6.60 -0.87 2.42 1.43 -1.20 -4.93 118.68 118.81 3gtj s LEU 883 Ca 0.68 -2.95 -0.06 0.00 -1.03 0.00 0.00 54.13 50.77 3gtj s LEU 883 Cb -0.33 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 3gtj s LEU 883 CO 0.39 -0.48 2.06 -0.90 0.23 0.00 0.00 176.35 177.64 3gtj n ASP 884 N 3.60 4.65 0.00 2.29 3.85 -1.26 -2.49 116.55 127.19 3gtj n ASP 884 Ca 0.16 -2.32 0.00 0.00 -0.71 0.00 0.00 54.79 51.92 3gtj n ASP 884 Cb 0.45 -1.07 0.00 0.00 -1.35 0.00 0.00 41.12 39.14 3gtj n ASP 884 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 3gtj n THR 885 N 4.30 0.00 0.00 2.12 -1.04 -1.26 -4.99 114.28 113.41 3gtj n THR 885 Ca 0.43 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 3gtj n THR 885 Cb 0.13 1.56 0.00 0.00 -1.82 0.00 0.00 70.33 70.21 3gtj n THR 885 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3gtj n ILE 886 N -0.04 0.00 -1.68 12.58 2.08 -1.04 -4.72 119.36 126.54 3gtj n ILE 886 Ca 0.00 0.00 -0.45 0.00 0.56 0.00 0.00 62.75 62.86 3gtj n ILE 886 Cb 0.14 -0.56 -0.04 0.00 -0.75 0.00 0.00 39.64 38.43 3gtj n ILE 886 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gtj n GLY 887 N 3.17 1.29 0.00 7.39 0.00 -1.26 -4.88 105.19 110.90 3gtj n GLY 887 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3gtj n GLY 887 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtj n GLY 888 N 3.70 3.87 3.76 -0.02 0.00 -1.26 -4.97 105.19 110.27 3gtj n GLY 888 Ca 0.17 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 3gtj n GLY 888 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gtj s SER 889 N 0.00 6.69 0.47 1.61 0.01 -1.26 -4.34 113.70 116.88 3gtj s SER 889 Ca 0.00 2.72 0.33 0.00 1.31 0.00 0.00 55.95 60.31 3gtj s SER 889 Cb 0.00 -2.64 1.45 0.00 0.21 0.00 0.00 66.02 65.04 3gtj s SER 889 CO 0.00 -0.63 1.67 0.44 0.41 0.00 0.00 173.24 175.14 3gtj h ASP 890 N 3.88 0.19 0.00 2.44 3.32 -1.74 -1.56 116.42 122.94 3gtj h ASP 890 Ca -0.48 0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.56 3gtj h ASP 890 Cb 1.22 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 3gtj h ASP 890 CO 0.69 -0.07 -0.81 0.00 -1.72 0.00 0.00 179.24 177.33 3gtj n ALA 891 N -2.63 0.58 0.32 3.45 0.00 -1.26 -4.19 120.51 116.78 3gtj n ALA 891 Ca 0.34 -0.46 0.08 0.00 0.00 0.00 0.00 53.44 53.40 3gtj n ALA 891 Cb 1.41 -0.18 0.41 0.00 0.00 0.00 0.00 19.45 21.09 3gtj n ALA 891 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtj h ALA 892 N -0.83 1.63 -0.19 0.00 0.00 -1.75 0.85 119.26 118.96 3gtj h ALA 892 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3gtj h ALA 892 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3gtj h ALA 892 CO -0.08 -0.63 -0.44 0.35 0.00 0.00 0.00 179.25 178.46 3gtj h PHE 893 N 0.00 0.81 -0.09 0.00 3.57 -1.48 -3.16 116.94 116.59 3gtj h PHE 893 Ca 0.00 -0.30 0.03 0.00 3.53 0.00 0.00 57.97 61.23 3gtj h PHE 893 Cb 1.28 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 3gtj h PHE 893 CO 0.00 1.07 -0.11 1.49 -2.23 0.00 0.00 178.31 178.54 3gtj h GLU 894 N 0.32 -0.13 -0.82 1.11 4.81 0.57 -2.07 114.58 118.37 3gtj h GLU 894 Ca 0.00 0.01 0.24 0.00 -0.13 0.00 0.00 59.36 59.48 3gtj h GLU 894 Cb 1.04 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 3gtj h GLU 894 CO 0.10 -0.09 0.86 0.87 -0.73 0.00 0.00 179.01 180.02 3gtj h LYS 895 N -0.14 0.00 0.00 1.92 6.56 -1.47 -2.23 116.57 121.22 3gtj h LYS 895 Ca 0.07 0.00 -0.38 0.00 -1.06 0.00 0.00 60.65 59.28 3gtj h LYS 895 Cb 0.24 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.83 3gtj h LYS 895 CO -0.17 0.00 -2.45 0.54 -2.06 0.00 0.00 179.45 175.31 3gtj n ARG 896 N -3.54 0.66 -0.00 3.15 5.12 -0.80 -4.74 116.66 116.51 3gtj n ARG 896 Ca 0.17 0.11 0.02 0.00 -1.93 0.00 0.00 57.85 56.22 3gtj n ARG 896 Cb 1.13 -1.52 -0.02 0.00 -1.16 0.00 0.00 32.46 30.89 3gtj n ARG 896 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3gtj n TYR 897 N -3.13 0.00 -2.81 -1.55 4.02 -1.01 -4.59 117.16 108.09 3gtj n TYR 897 Ca -0.42 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.05 3gtj n TYR 897 Cb 1.04 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 40.30 3gtj n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3gtj s ARG 898 N -1.58 4.23 -0.21 -0.72 6.06 -0.87 -4.60 118.95 121.27 3gtj s ARG 898 Ca 0.01 1.10 -0.02 0.00 -2.50 0.00 0.00 55.73 54.31 3gtj s ARG 898 Cb 0.03 -3.63 0.00 0.00 0.06 0.00 0.00 34.95 31.41 3gtj s ARG 898 CO 0.16 -0.51 -0.09 0.08 -2.50 0.00 0.00 175.30 172.45 3gtj s VAL 899 N 2.80 2.97 -0.78 7.11 1.01 -1.26 -4.96 120.40 127.29 3gtj s VAL 899 Ca 0.39 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3gtj s VAL 899 Cb -0.16 -2.35 0.19 0.00 0.00 0.00 0.00 36.38 34.07 3gtj s VAL 899 CO 0.08 0.43 0.61 -0.62 0.00 0.00 0.00 175.10 175.61 3gtj s ASP 900 N 1.41 5.35 0.18 3.32 -1.08 -0.41 -4.87 116.67 120.58 3gtj s ASP 900 Ca 0.05 -3.75 -0.25 0.00 -0.52 0.00 0.00 52.55 48.09 3gtj s ASP 900 Cb -0.14 -1.77 0.07 0.00 -1.46 0.00 0.00 42.92 39.62 3gtj s ASP 900 CO -0.06 -0.14 1.56 -0.07 0.52 0.00 0.00 175.17 176.98 3gtj h LEU 901 N 5.75 -1.61 -2.27 -1.34 3.38 -1.91 -0.23 115.31 117.09 3gtj h LEU 901 Ca 0.14 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3gtj h LEU 901 Cb 0.79 0.75 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3gtj h LEU 901 CO 0.78 -0.30 0.00 0.00 0.09 0.00 0.00 178.44 179.01 3gtj n LEU 902 N -5.39 3.36 -3.62 1.67 -0.00 -1.26 -3.67 117.00 108.09 3gtj n LEU 902 Ca 0.04 -1.62 -0.21 0.00 -0.00 0.00 0.00 56.01 54.22 3gtj n LEU 902 Cb 0.35 -0.62 -0.16 0.00 -0.00 0.00 0.00 43.42 42.99 3gtj n LEU 902 CO -0.07 0.59 -0.29 0.21 -0.00 0.00 0.00 177.39 177.83 3gtj s ASN 903 N 1.25 1.51 0.43 1.45 2.47 -0.12 -4.88 114.94 117.05 3gtj s ASN 903 Ca 0.00 -0.15 0.22 0.00 0.42 0.00 0.00 52.86 53.34 3gtj s ASN 903 Cb 0.00 0.02 1.18 0.00 -1.45 0.00 0.00 41.25 41.00 3gtj s ASN 903 CO 0.00 -0.30 1.62 0.74 -3.72 0.00 0.00 177.10 175.44 3gtj h THR 904 N 6.39 0.00 0.00 -5.21 2.02 -1.83 -1.38 112.91 112.90 3gtj h THR 904 Ca -0.14 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.76 3gtj h THR 904 Cb 1.14 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 3gtj h THR 904 CO 0.22 0.00 -2.21 0.47 0.37 0.00 0.00 175.52 174.37 3gtj n ASP 905 N -2.37 0.39 -0.13 4.18 8.00 -1.26 -4.57 116.55 120.79 3gtj n ASP 905 Ca -0.01 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.52 3gtj n ASP 905 Cb 0.24 1.14 0.06 0.00 -0.02 0.00 0.00 41.12 42.54 3gtj n ASP 905 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3gtj n HIS 906 N -2.60 0.09 -1.38 1.24 8.25 -0.80 -5.00 115.22 115.02 3gtj n HIS 906 Ca -0.25 -0.62 -0.28 0.00 -0.26 0.00 0.00 57.72 56.30 3gtj n HIS 906 Cb 1.00 -0.08 0.22 0.00 1.12 0.00 0.00 29.99 32.25 3gtj n HIS 906 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3gtj n THR 907 N -0.58 0.00 -4.12 1.59 -1.04 -0.59 -1.29 114.28 108.25 3gtj n THR 907 Ca 0.06 -0.66 -0.35 0.00 -2.04 0.00 0.00 64.05 61.06 3gtj n THR 907 Cb 0.38 -1.36 -0.14 0.00 -1.82 0.00 0.00 70.33 67.40 3gtj n THR 907 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 3gtj s LEU 908 N 0.00 2.97 0.11 -4.42 2.34 -1.26 -4.85 118.68 113.58 3gtj s LEU 908 Ca 0.70 -0.32 -0.34 0.00 0.06 0.00 0.00 54.13 54.22 3gtj s LEU 908 Cb -0.05 -1.74 -0.18 0.00 -0.56 0.00 0.00 46.19 43.67 3gtj s LEU 908 CO 0.51 0.04 0.96 -0.67 -1.06 0.00 0.00 176.35 176.13 3gtj n ASP 909 N 4.37 0.14 0.06 1.48 4.64 -1.26 -4.79 116.55 121.19 3gtj n ASP 909 Ca -0.18 1.14 0.02 0.00 -1.38 0.00 0.00 54.79 54.40 3gtj n ASP 909 Cb 0.51 -1.03 0.11 0.00 -1.04 0.00 0.00 41.12 39.67 3gtj n ASP 909 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3gtj n PRO 910 N 1.47 0.03 -0.12 -0.67 -0.02 -1.26 -1.17 135.00 133.25 3gtj n PRO 910 Ca 0.18 0.37 0.04 0.00 -2.02 0.00 0.00 63.50 62.07 3gtj n PRO 910 Cb 0.18 -1.86 0.13 0.00 -0.02 0.00 0.00 33.50 31.93 3gtj n PRO 910 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gtj n SER 911 N -1.52 1.34 0.00 2.55 3.41 -1.26 -3.81 113.62 114.32 3gtj n SER 911 Ca -0.00 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3gtj n SER 911 Cb 0.28 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3gtj n SER 911 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gtj n LEU 912 N 0.22 1.55 -3.62 1.04 4.77 -0.32 -4.52 117.00 116.12 3gtj n LEU 912 Ca 0.09 -1.55 -0.08 0.00 -0.03 0.00 0.00 56.01 54.43 3gtj n LEU 912 Cb 0.21 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3gtj n LEU 912 CO 0.06 0.39 0.83 -0.22 -1.33 0.00 0.00 177.39 177.12 3gtj s LEU 913 N -0.65 -0.35 0.55 2.23 2.96 -1.25 -3.86 118.68 118.31 3gtj s LEU 913 Ca 0.00 0.57 0.25 0.00 -0.22 0.00 0.00 54.13 54.74 3gtj s LEU 913 Cb 0.00 1.73 1.55 0.00 0.50 0.00 0.00 46.19 49.97 3gtj s LEU 913 CO 0.00 -0.19 2.16 -0.08 -1.32 0.00 0.00 176.35 176.92 3gtj h GLU 914 N 3.42 0.00 0.00 1.98 4.57 -1.78 -3.14 114.58 119.64 3gtj h GLU 914 Ca -0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3gtj h GLU 914 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3gtj h GLU 914 CO 0.19 0.06 0.00 0.43 -1.18 0.00 0.00 179.01 178.50 3gtj n SER 915 N -3.94 0.00 0.00 1.04 7.64 -1.26 -4.95 113.62 112.14 3gtj n SER 915 Ca -0.03 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.10 3gtj n SER 915 Cb 0.14 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 3gtj n SER 915 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gtj n GLY 916 N 1.99 0.89 0.14 0.23 0.00 -1.19 -4.45 105.19 102.81 3gtj n GLY 916 Ca 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 3gtj n GLY 916 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtj n SER 917 N 8.67 -1.00 -0.95 1.61 3.41 -1.26 -3.57 113.62 120.53 3gtj n SER 917 Ca 0.00 -0.55 -0.06 0.00 -0.26 0.00 0.00 58.87 58.00 3gtj n SER 917 Cb 0.00 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 3gtj n SER 917 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3gtj n GLU 918 N -1.61 -1.35 0.00 4.33 -0.00 -1.26 -4.55 120.64 116.20 3gtj n GLU 918 Ca 0.01 0.39 0.00 0.00 -0.00 0.00 0.00 57.16 57.55 3gtj n GLU 918 Cb 0.02 -4.33 0.00 0.00 -0.00 0.00 0.00 31.44 27.14 3gtj n GLU 918 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3gtj n ILE 919 N -1.33 0.00 -1.53 3.84 2.08 -1.23 -5.06 119.36 116.12 3gtj n ILE 919 Ca -0.06 0.00 -0.52 0.00 0.56 0.00 0.00 62.75 62.74 3gtj n ILE 919 Cb 0.23 -0.50 -0.05 0.00 -0.75 0.00 0.00 39.64 38.58 3gtj n ILE 919 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3gtj n LEU 920 N -1.30 0.74 0.00 1.39 0.00 -1.25 -4.25 117.00 112.33 3gtj n LEU 920 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 56.01 57.15 3gtj n LEU 920 Cb 0.25 -1.10 0.00 0.00 0.00 0.00 0.00 43.42 42.58 3gtj n LEU 920 CO 0.00 -1.68 0.00 0.61 0.00 0.00 0.00 177.39 176.32 3gtj n GLY 921 N 1.93 -0.75 1.16 -3.96 0.00 -1.24 -4.98 105.19 97.35 3gtj n GLY 921 Ca 0.17 -1.30 -0.00 0.00 0.00 0.00 0.00 46.02 44.89 3gtj n GLY 921 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gtj n ASP 922 N 0.56 -2.81 -0.23 1.61 -0.08 -1.26 -4.38 116.55 109.95 3gtj n ASP 922 Ca 0.00 0.20 0.11 0.00 -1.51 0.00 0.00 54.79 53.60 3gtj n ASP 922 Cb 0.00 -1.46 0.10 0.00 2.34 0.00 0.00 41.12 42.10 3gtj n ASP 922 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3gtj n LEU 923 N 0.20 1.29 0.01 -2.67 4.77 -1.26 -3.68 117.00 115.66 3gtj n LEU 923 Ca -0.00 -0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 55.39 3gtj n LEU 923 Cb 0.00 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 3gtj n LEU 923 CO 0.00 0.26 -0.49 0.11 -1.33 0.00 0.00 177.39 175.94 3gtj h LYS 924 N 1.14 0.12 0.17 3.23 1.57 -2.01 -3.33 116.57 117.46 3gtj h LYS 924 Ca 0.00 -0.21 -0.32 0.00 -1.87 0.00 0.00 60.65 58.25 3gtj h LYS 924 Cb 0.59 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.99 3gtj h LYS 924 CO 0.00 0.85 -1.51 -0.07 -0.57 0.00 0.00 179.45 178.15 3gtj h LEU 925 N 0.03 0.56 0.00 2.94 3.38 -1.94 -3.24 115.31 117.05 3gtj h LEU 925 Ca -0.29 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 56.98 3gtj h LEU 925 Cb 2.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.57 3gtj h LEU 925 CO 0.11 1.57 0.00 0.00 0.09 0.00 0.00 178.44 180.21 3gtj n GLN 926 N -3.56 0.31 0.03 1.13 1.13 -1.24 -0.84 117.38 114.34 3gtj n GLN 926 Ca -0.17 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.67 3gtj n GLN 926 Cb 1.06 -1.35 -0.14 0.00 0.11 0.00 0.00 30.24 29.92 3gtj n GLN 926 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3gtj h VAL 927 N 0.00 1.01 0.07 5.09 2.07 -1.67 -3.05 116.25 119.77 3gtj h VAL 927 Ca 0.00 -2.44 -0.23 0.00 0.82 0.00 0.00 66.70 64.85 3gtj h VAL 927 Cb 0.00 2.74 0.02 0.00 -1.52 0.00 0.00 31.29 32.54 3gtj h VAL 927 CO 0.00 0.76 -0.95 -0.07 0.02 0.00 0.00 177.57 177.33 3gtj h LEU 928 N -0.16 0.71 -1.41 2.57 3.38 -1.12 -0.60 115.31 118.67 3gtj h LEU 928 Ca -0.31 -0.81 -0.04 0.00 0.09 0.00 0.00 57.88 56.80 3gtj h LEU 928 Cb 1.87 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 3gtj h LEU 928 CO 0.10 1.45 -0.03 0.25 0.09 0.00 0.00 178.44 180.29 3gtj h LEU 929 N 0.07 0.32 0.19 1.67 7.12 -1.32 0.07 115.31 123.43 3gtj h LEU 929 Ca -0.14 -0.05 -0.01 0.00 0.13 0.00 0.00 57.88 57.81 3gtj h LEU 929 Cb 1.65 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.70 3gtj h LEU 929 CO 0.18 0.41 -0.09 0.44 -0.13 0.00 0.00 178.44 179.25 3gtj h ASP 930 N 0.33 -0.21 -0.96 1.25 3.32 -1.55 -2.74 116.42 115.86 3gtj h ASP 930 Ca 0.07 -0.23 0.26 0.00 0.02 0.00 0.00 57.03 57.15 3gtj h ASP 930 Cb 0.28 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 3gtj h ASP 930 CO 0.01 0.13 0.66 -0.08 -1.72 0.00 0.00 179.24 178.24 3gtj h GLU 931 N -0.58 0.16 0.01 3.56 4.57 -0.63 0.51 114.58 122.18 3gtj h GLU 931 Ca -0.03 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.04 3gtj h GLU 931 Cb 0.43 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3gtj h GLU 931 CO 0.04 0.10 -0.42 1.49 -1.18 0.00 0.00 179.01 179.04 3gtj h GLU 932 N 0.16 0.27 0.00 1.92 4.81 -1.00 -3.16 114.58 117.58 3gtj h GLU 932 Ca 0.48 -0.30 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 3gtj h GLU 932 Cb 1.61 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 31.07 3gtj h GLU 932 CO -0.09 1.02 -0.42 -0.92 -0.73 0.00 0.00 179.01 177.87 3gtj h TYR 933 N -0.35 0.00 -0.32 0.92 3.20 -0.89 -2.26 116.97 117.27 3gtj h TYR 933 Ca -0.06 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.67 3gtj h TYR 933 Cb 1.18 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 3gtj h TYR 933 CO 0.17 0.42 -0.39 -0.22 -1.64 0.00 0.00 178.16 176.50 3gtj h LYS 934 N 0.00 0.76 -0.04 1.82 3.64 -1.05 -1.90 116.57 119.80 3gtj h LYS 934 Ca -0.00 -0.39 -0.19 0.00 -1.27 0.00 0.00 60.65 58.79 3gtj h LYS 934 Cb 0.75 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3gtj h LYS 934 CO 0.05 1.01 -0.80 0.37 -2.27 0.00 0.00 179.45 177.82 3gtj h GLN 935 N 0.63 0.35 -0.21 1.90 5.75 -1.49 -2.28 115.11 119.75 3gtj h GLN 935 Ca 0.05 -0.32 -0.10 0.00 -0.15 0.00 0.00 58.65 58.14 3gtj h GLN 935 Cb 0.94 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.56 3gtj h GLN 935 CO 0.09 0.98 -0.25 -0.07 -2.65 0.00 0.00 178.83 176.93 3gtj h LEU 936 N 0.22 0.59 -0.62 -2.39 3.38 -1.28 -0.78 115.31 114.42 3gtj h LEU 936 Ca -0.04 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 3gtj h LEU 936 Cb 1.40 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 3gtj h LEU 936 CO 0.13 0.96 0.33 0.58 0.09 0.00 0.00 178.44 180.53 3gtj h VAL 937 N 0.22 1.20 -0.09 1.22 2.07 -1.42 -0.99 116.25 118.47 3gtj h VAL 937 Ca 0.03 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3gtj h VAL 937 Cb 0.81 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3gtj h VAL 937 CO 0.06 0.23 0.13 0.50 0.02 0.00 0.00 177.57 178.51 3gtj h LYS 938 N 0.85 0.00 0.08 1.57 3.64 -1.30 -1.19 116.57 120.21 3gtj h LYS 938 Ca 0.22 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.43 3gtj h LYS 938 Cb 0.07 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3gtj h LYS 938 CO -0.03 0.00 -0.70 -0.44 -2.27 0.00 0.00 179.45 176.01 3gtj h ASP 939 N 0.00 0.48 -0.94 4.20 5.19 0.14 -3.24 116.42 122.26 3gtj h ASP 939 Ca 0.04 -0.87 0.09 0.00 -0.62 0.00 0.00 57.03 55.68 3gtj h ASP 939 Cb 0.31 -0.15 -0.07 0.00 0.18 0.00 0.00 39.33 39.59 3gtj h ASP 939 CO -0.00 1.30 0.58 -0.09 -3.12 0.00 0.00 179.24 177.91 3gtj h ARG 940 N -0.27 0.95 0.00 3.56 2.43 -0.29 -0.14 114.38 120.62 3gtj h ARG 940 Ca -0.11 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 58.88 3gtj h ARG 940 Cb 1.48 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 3gtj h ARG 940 CO 0.13 0.63 -0.59 -0.22 -1.51 0.00 0.00 179.97 178.41 3gtj h LYS 941 N 0.98 0.00 -0.22 0.20 3.64 -1.66 -2.84 116.57 116.67 3gtj h LYS 941 Ca 0.44 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.64 3gtj h LYS 941 Cb 0.34 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3gtj h LYS 941 CO -0.23 0.59 -0.58 0.35 -2.27 0.00 0.00 179.45 177.32 3gtj h PHE 942 N 0.00 0.87 -0.09 1.91 3.57 -1.10 -3.08 116.94 119.02 3gtj h PHE 942 Ca -0.01 -0.32 -0.05 0.00 3.53 0.00 0.00 57.97 61.12 3gtj h PHE 942 Cb 1.18 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 3gtj h PHE 942 CO 0.00 1.10 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.96 3gtj h LEU 943 N 0.52 0.29 0.00 0.59 3.38 -1.28 -2.44 115.31 116.38 3gtj h LEU 943 Ca 0.00 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3gtj h LEU 943 Cb 1.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3gtj h LEU 943 CO 0.12 0.77 0.11 0.54 0.09 0.00 0.00 178.44 180.07 3gtj n ARG 944 N -4.59 0.00 -0.12 1.13 1.74 -1.07 -0.47 116.66 113.27 3gtj n ARG 944 Ca -0.07 0.39 -0.16 0.00 -0.77 0.00 0.00 57.85 57.23 3gtj n ARG 944 Cb 0.37 -1.61 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 3gtj n ARG 944 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3gtj n GLU 945 N -1.39 0.66 0.00 5.56 2.13 -1.14 -4.12 120.64 122.34 3gtj n GLU 945 Ca 0.00 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3gtj n GLU 945 Cb 0.11 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.31 3gtj n GLU 945 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3gtj n VAL 946 N -3.16 0.00 -2.72 6.31 0.31 -0.38 -4.51 118.33 114.17 3gtj n VAL 946 Ca -0.43 0.70 -0.43 0.00 -0.01 0.00 0.00 64.34 64.18 3gtj n VAL 946 Cb 1.01 -1.56 -0.02 0.00 -0.91 0.00 0.00 33.84 32.37 3gtj n VAL 946 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3gtj s PHE 947 N -1.34 2.91 0.31 3.52 0.40 0.38 -4.77 117.98 119.38 3gtj s PHE 947 Ca 0.00 -1.42 0.33 0.00 -0.60 0.00 0.00 56.93 55.24 3gtj s PHE 947 Cb 0.00 -4.55 1.56 0.00 0.51 0.00 0.00 43.02 40.54 3gtj s PHE 947 CO 0.00 -1.70 2.07 0.28 0.70 0.00 0.00 175.22 176.57 3gtj h VAL 948 N 5.86 0.22 -0.87 -0.44 2.07 -1.78 -3.18 116.25 118.12 3gtj h VAL 948 Ca 0.28 -0.49 0.20 0.00 0.82 0.00 0.00 66.70 67.51 3gtj h VAL 948 Cb 0.95 1.39 -0.12 0.00 -1.52 0.00 0.00 31.29 32.00 3gtj h VAL 948 CO 1.33 0.06 0.39 0.44 0.02 0.00 0.00 177.57 179.81 3gtj h ASP 949 N 0.00 0.35 0.00 0.57 5.19 -1.89 -3.46 116.42 117.18 3gtj h ASP 949 Ca -0.00 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3gtj h ASP 949 Cb 0.39 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.01 3gtj h ASP 949 CO 0.01 0.05 0.00 0.61 -3.12 0.00 0.00 179.24 176.78 3gtj n GLY 950 N -1.33 0.73 3.74 2.75 0.00 -1.20 -4.71 105.19 105.16 3gtj n GLY 950 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3gtj n GLY 950 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gtj s GLU 951 N -0.64 4.41 -0.23 1.61 2.56 -1.26 -4.62 118.70 120.52 3gtj s GLU 951 Ca 0.00 0.86 -0.13 0.00 0.00 0.00 0.00 54.97 55.71 3gtj s GLU 951 Cb 0.00 -3.40 -0.17 0.00 2.00 0.00 0.00 34.13 32.56 3gtj s GLU 951 CO 0.00 0.21 -0.07 0.00 -0.56 0.00 0.00 175.26 174.84 3gtj n ALA 952 N 3.24 1.07 -2.11 6.30 0.00 -1.26 -4.91 120.51 122.84 3gtj n ALA 952 Ca -0.03 -0.85 -0.39 0.00 0.00 0.00 0.00 53.44 52.17 3gtj n ALA 952 Cb 0.51 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 3gtj n ALA 952 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3gtj s ASN 953 N -7.09 5.39 -0.02 0.00 -0.87 -1.26 -3.21 114.94 107.88 3gtj s ASN 953 Ca -0.33 0.20 0.04 0.00 -1.57 0.00 0.00 52.86 51.20 3gtj s ASN 953 Cb 0.10 -2.53 -0.01 0.00 -0.02 0.00 0.00 41.25 38.79 3gtj s ASN 953 CO 0.58 -2.31 -0.14 0.26 -2.57 0.00 0.00 177.10 172.92 3gtj s TRP 954 N 8.63 1.32 -0.35 2.20 0.52 -1.24 -4.86 118.94 125.17 3gtj s TRP 954 Ca 0.63 -0.30 -0.31 0.00 0.02 0.00 0.00 56.10 56.13 3gtj s TRP 954 Cb -0.12 -0.88 -0.09 0.00 -1.15 0.00 0.00 33.47 31.23 3gtj s TRP 954 CO 0.19 -0.07 2.25 -2.30 0.02 0.00 0.00 176.95 177.04 3gtj n PRO 955 N 2.95 1.33 -3.98 4.98 -0.02 -1.26 -3.01 135.00 135.99 3gtj n PRO 955 Ca -0.16 0.33 -0.12 0.00 -2.02 0.00 0.00 63.50 61.52 3gtj n PRO 955 Cb 0.54 -2.81 -0.13 0.00 -0.02 0.00 0.00 33.50 31.08 3gtj n PRO 955 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gtj s LEU 956 N 8.35 2.07 0.99 2.45 1.43 -0.69 -4.84 118.68 128.44 3gtj s LEU 956 Ca 1.06 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 3gtj s LEU 956 Cb -0.61 -0.06 0.19 0.00 0.03 0.00 0.00 46.19 45.73 3gtj s LEU 956 CO 0.41 -0.06 1.09 -2.84 0.23 0.00 0.00 176.35 175.19 3gtj s PRO 957 N -0.44 0.46 -0.00 1.29 0.02 -1.26 -2.50 135.00 132.57 3gtj s PRO 957 Ca -0.03 1.10 -0.01 0.00 0.02 0.00 0.00 61.00 62.08 3gtj s PRO 957 Cb -0.03 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.79 3gtj s PRO 957 CO -0.00 -2.87 0.01 0.28 -0.33 0.00 0.00 177.00 174.09 3gtj n VAL 958 N -4.35 -6.01 -2.62 3.83 0.31 -1.26 -4.88 118.33 103.34 3gtj n VAL 958 Ca 0.07 1.40 -0.43 0.00 -0.01 0.00 0.00 64.34 65.37 3gtj n VAL 958 Cb 0.54 -3.62 -0.02 0.00 -0.91 0.00 0.00 33.84 29.83 3gtj n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3gtj s ASN 959 N -0.27 7.09 -0.08 4.52 3.84 -1.26 -4.92 114.94 123.87 3gtj s ASN 959 Ca -0.01 1.46 0.17 0.00 0.21 0.00 0.00 52.86 54.69 3gtj s ASN 959 Cb 0.00 -2.54 -0.23 0.00 -0.55 0.00 0.00 41.25 37.93 3gtj s ASN 959 CO 0.03 -0.65 0.46 -0.38 -2.79 0.00 0.00 177.10 173.77 3gtj n ILE 960 N 5.20 1.25 -0.31 -5.21 5.41 -1.26 -3.35 119.36 121.08 3gtj n ILE 960 Ca 0.12 -0.76 0.10 0.00 1.00 0.00 0.00 62.75 63.20 3gtj n ILE 960 Cb 0.46 -0.63 0.27 0.00 -0.71 0.00 0.00 39.64 39.03 3gtj n ILE 960 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3gtj h ARG 961 N 0.00 0.61 0.03 0.38 9.65 -2.01 -2.64 114.38 120.39 3gtj h ARG 961 Ca -0.33 -0.04 -0.25 0.00 -1.10 0.00 0.00 59.98 58.26 3gtj h ARG 961 Cb 1.89 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 30.30 3gtj h ARG 961 CO 0.04 0.40 -1.30 0.00 2.80 0.00 0.00 179.97 181.91 3gtj h ARG 962 N 0.62 0.06 -0.07 0.20 3.08 -1.99 -3.09 114.38 113.20 3gtj h ARG 962 Ca 0.51 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 60.37 3gtj h ARG 962 Cb 0.79 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3gtj h ARG 962 CO -0.40 0.90 -0.36 0.82 -1.07 0.00 0.00 179.97 179.87 3gtj h ILE 963 N 0.02 1.28 -0.07 2.04 2.04 -1.50 -0.63 117.51 120.69 3gtj h ILE 963 Ca -0.13 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.38 3gtj h ILE 963 Cb 1.89 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 39.60 3gtj h ILE 963 CO 0.13 0.39 -0.06 0.40 0.00 0.00 0.00 178.15 179.01 3gtj h ILE 964 N 0.11 1.37 -0.55 -0.67 1.08 -1.51 -2.72 117.51 114.61 3gtj h ILE 964 Ca 0.01 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 3gtj h ILE 964 Cb 0.69 2.02 -0.03 0.00 -3.07 0.00 0.00 36.82 36.43 3gtj h ILE 964 CO 0.05 0.33 0.34 1.56 -0.69 0.00 0.00 178.15 179.75 3gtj h GLN 965 N -0.27 0.74 0.00 2.37 4.20 -1.44 0.14 115.11 120.84 3gtj h GLN 965 Ca 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3gtj h GLN 965 Cb 0.56 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3gtj h GLN 965 CO 0.02 0.51 0.00 0.09 -0.67 0.00 0.00 178.83 178.77 3gtj n ASN 966 N -4.43 0.00 -0.09 1.46 3.02 -0.26 -2.43 115.26 112.54 3gtj n ASN 966 Ca 0.05 -0.16 -0.08 0.00 -0.03 0.00 0.00 54.58 54.36 3gtj n ASN 966 Cb 0.06 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 3gtj n ASN 966 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gtj n ALA 967 N -1.21 0.77 1.09 5.41 0.00 0.42 -3.72 120.51 123.27 3gtj n ALA 967 Ca 0.11 -0.71 0.05 0.00 0.00 0.00 0.00 53.44 52.88 3gtj n ALA 967 Cb 0.13 0.02 0.29 0.00 0.00 0.00 0.00 19.45 19.90 3gtj n ALA 967 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtj n GLN 968 N -4.50 0.55 -0.01 0.00 10.64 -0.74 -0.94 117.38 122.39 3gtj n GLN 968 Ca -0.13 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.07 3gtj n GLN 968 Cb 0.46 -1.28 -0.05 0.00 -0.86 0.00 0.00 30.24 28.51 3gtj n GLN 968 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3gtj n GLN 969 N -0.78 0.58 0.09 2.61 -0.00 -1.02 -4.22 117.38 114.63 3gtj n GLN 969 Ca 0.07 -0.05 -0.22 0.00 -0.00 0.00 0.00 57.00 56.80 3gtj n GLN 969 Cb 0.03 -1.15 -0.14 0.00 -0.00 0.00 0.00 30.24 28.99 3gtj n GLN 969 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 3gtj h THR 970 N 0.00 1.34 -0.43 -0.39 2.02 -1.12 -3.36 112.91 110.98 3gtj h THR 970 Ca -0.02 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.65 3gtj h THR 970 Cb 0.43 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 3gtj h THR 970 CO 0.00 0.75 0.00 0.49 0.37 0.00 0.00 175.52 177.13 3gtj n PHE 971 N -3.88 0.55 -3.33 3.16 3.01 -0.49 -5.02 117.46 111.46 3gtj n PHE 971 Ca -0.14 -0.28 -0.32 0.00 1.01 0.00 0.00 57.45 57.72 3gtj n PHE 971 Cb 0.96 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.45 3gtj n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3gtj n HIS 972 N 1.51 -2.22 -3.73 1.38 8.25 -1.26 -4.96 115.22 114.20 3gtj n HIS 972 Ca 0.20 0.93 -0.36 0.00 -0.26 0.00 0.00 57.72 58.22 3gtj n HIS 972 Cb 0.61 -1.76 -0.07 0.00 1.12 0.00 0.00 29.99 29.89 3gtj n HIS 972 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3gtj s ILE 973 N -1.69 5.40 -0.10 1.59 1.10 -1.26 -5.09 121.20 121.15 3gtj s ILE 973 Ca 0.25 0.31 -0.16 0.00 -0.51 0.00 0.00 60.65 60.55 3gtj s ILE 973 Cb -0.03 -3.49 -0.05 0.00 0.15 0.00 0.00 42.46 39.04 3gtj s ILE 973 CO 0.78 0.51 0.40 1.51 -2.11 0.00 0.00 174.94 176.02 3gtj s ASP 974 N -0.23 6.64 0.00 4.50 1.47 -1.26 -4.98 116.67 122.81 3gtj s ASP 974 Ca 0.13 0.76 -0.00 0.00 1.18 0.00 0.00 52.55 54.62 3gtj s ASP 974 Cb -0.12 -2.24 -0.01 0.00 -0.34 0.00 0.00 42.92 40.20 3gtj s ASP 974 CO 0.02 0.13 1.70 1.41 0.68 0.00 0.00 175.17 179.11 3gtj n HIS 975 N 3.10 0.00 0.00 2.11 8.25 -1.26 -3.38 115.22 124.03 3gtj n HIS 975 Ca -0.11 -0.83 0.00 0.00 -0.26 0.00 0.00 57.72 56.52 3gtj n HIS 975 Cb 0.52 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3gtj n HIS 975 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3gtj n THR 976 N 1.67 0.00 -2.83 1.59 -2.24 -1.26 -5.07 114.28 106.14 3gtj n THR 976 Ca 0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 3gtj n THR 976 Cb 0.42 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 3gtj n THR 976 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3gtj s LYS 977 N -1.12 4.57 0.67 -0.78 2.20 -1.22 -5.05 119.74 119.02 3gtj s LYS 977 Ca 0.00 1.27 -0.17 0.00 -0.36 0.00 0.00 55.97 56.71 3gtj s LYS 977 Cb 0.00 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3gtj s LYS 977 CO 0.00 0.12 1.24 -2.14 -0.36 0.00 0.00 175.35 174.21 3gtj s PRO 978 N 0.43 2.47 0.47 4.03 0.02 -1.26 -4.94 135.00 136.22 3gtj s PRO 978 Ca 0.45 1.88 -0.08 0.00 0.02 0.00 0.00 61.00 63.27 3gtj s PRO 978 Cb -0.21 -1.86 0.12 0.00 0.02 0.00 0.00 34.50 32.57 3gtj s PRO 978 CO 0.26 -1.61 0.38 0.45 -0.33 0.00 0.00 177.00 176.15 3gtj n SER 979 N -2.19 -1.71 -2.73 2.53 2.88 -1.25 -4.72 113.62 106.44 3gtj n SER 979 Ca 0.14 -0.65 -0.06 0.00 -1.33 0.00 0.00 58.87 56.98 3gtj n SER 979 Cb 0.49 -0.37 0.04 0.00 -0.75 0.00 0.00 64.21 63.63 3gtj n SER 979 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3gtj n ASP 980 N -3.76 1.56 -4.62 -3.46 5.75 -1.26 -2.55 116.55 108.21 3gtj n ASP 980 Ca 0.05 -2.45 -0.25 0.00 -0.01 0.00 0.00 54.79 52.14 3gtj n ASP 980 Cb 0.22 -0.51 -0.08 0.00 -1.03 0.00 0.00 41.12 39.72 3gtj n ASP 980 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3gtj s LEU 981 N -3.41 3.12 0.09 -2.12 1.43 -1.26 -4.46 118.68 112.07 3gtj s LEU 981 Ca 0.27 -0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3gtj s LEU 981 Cb 0.40 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.85 3gtj s LEU 981 CO 0.00 0.06 0.30 -0.89 0.23 0.00 0.00 176.35 176.05 3gtj s THR 982 N -1.99 5.27 0.62 5.49 2.01 -1.26 -4.74 115.64 121.04 3gtj s THR 982 Ca 0.28 -0.10 0.35 0.00 0.31 0.00 0.00 61.69 62.54 3gtj s THR 982 Cb -0.08 -3.62 0.39 0.00 0.01 0.00 0.00 72.50 69.21 3gtj s THR 982 CO 0.18 0.13 2.28 0.40 -0.69 0.00 0.00 174.62 176.92 3gtj h ILE 983 N 2.21 0.30 -0.16 1.82 1.08 -2.01 0.38 117.51 121.14 3gtj h ILE 983 Ca -0.46 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 63.90 3gtj h ILE 983 Cb 1.17 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 35.89 3gtj h ILE 983 CO 0.73 0.00 -0.33 0.11 -0.69 0.00 0.00 178.15 177.96 3gtj h LYS 984 N 0.00 0.52 -0.68 2.37 1.57 -1.98 -2.71 116.57 115.66 3gtj h LYS 984 Ca 0.01 -0.34 0.12 0.00 -1.87 0.00 0.00 60.65 58.57 3gtj h LYS 984 Cb 0.06 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 3gtj h LYS 984 CO -0.00 0.95 0.23 -0.44 -0.57 0.00 0.00 179.45 179.62 3gtj h ASP 985 N 0.15 0.19 0.00 0.86 5.19 -1.30 -0.39 116.42 121.12 3gtj h ASP 985 Ca 0.00 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 3gtj h ASP 985 Cb 0.93 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.54 3gtj h ASP 985 CO 0.07 0.09 0.00 -0.38 -3.12 0.00 0.00 179.24 175.90 3gtj n ILE 986 N -5.04 0.00 -0.25 0.35 5.41 -1.04 -2.54 119.36 116.25 3gtj n ILE 986 Ca 0.11 0.44 0.03 0.00 1.00 0.00 0.00 62.75 64.33 3gtj n ILE 986 Cb 0.35 -1.05 0.16 0.00 -0.71 0.00 0.00 39.64 38.39 3gtj n ILE 986 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3gtj h VAL 987 N 0.00 0.79 0.00 1.39 2.07 -1.52 0.34 116.25 119.32 3gtj h VAL 987 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3gtj h VAL 987 Cb 0.00 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3gtj h VAL 987 CO 0.00 0.10 -0.38 0.25 0.02 0.00 0.00 177.57 177.56 3gtj h LEU 988 N 0.57 0.00 0.21 2.57 6.46 -1.24 -3.22 115.31 120.66 3gtj h LEU 988 Ca 0.38 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.12 3gtj h LEU 988 Cb 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 3gtj h LEU 988 CO -0.31 0.00 -0.10 1.23 -0.62 0.00 0.00 178.44 178.64 3gtj h GLY 989 N 4.03 -0.30 0.72 3.75 0.00 -0.07 -2.82 103.07 108.39 3gtj h GLY 989 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.48 3gtj h GLY 989 CO 0.00 -0.11 0.19 -2.08 0.00 0.00 0.00 176.54 174.54 3gtj h VAL 990 N -0.62 0.93 -0.68 4.60 2.07 -1.42 0.16 116.25 121.29 3gtj h VAL 990 Ca -0.03 -0.13 0.14 0.00 0.82 0.00 0.00 66.70 67.50 3gtj h VAL 990 Cb 0.45 0.51 -0.12 0.00 -1.52 0.00 0.00 31.29 30.61 3gtj h VAL 990 CO 0.05 0.07 -0.08 0.50 0.02 0.00 0.00 177.57 178.13 3gtj h LYS 991 N 0.38 0.05 0.00 1.57 1.63 -1.63 -0.58 116.57 118.00 3gtj h LYS 991 Ca 0.19 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3gtj h LYS 991 Cb 0.13 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 3gtj h LYS 991 CO -0.16 0.04 0.00 -0.44 -3.45 0.00 0.00 179.45 175.44 3gtj h ASP 992 N 0.06 0.00 -0.00 4.20 3.32 -0.76 -2.99 116.42 120.24 3gtj h ASP 992 Ca 0.35 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 3gtj h ASP 992 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3gtj h ASP 992 CO -0.64 0.00 -0.01 0.25 -1.72 0.00 0.00 179.24 177.12 3gtj h LEU 993 N 0.00 0.01 -2.18 1.55 5.85 0.46 -3.23 115.31 117.77 3gtj h LEU 993 Ca 0.00 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3gtj h LEU 993 Cb 0.52 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3gtj h LEU 993 CO 0.00 0.54 0.07 1.56 -0.34 0.00 0.00 178.44 180.27 3gtj h GLN 994 N -0.51 0.00 0.00 1.25 4.20 -1.32 -0.85 115.11 117.88 3gtj h GLN 994 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3gtj h GLN 994 Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3gtj h GLN 994 CO 0.00 0.00 -0.30 0.93 -0.67 0.00 0.00 178.83 178.79 3gtj h GLU 995 N 0.00 0.00 0.00 1.46 4.39 -1.62 -3.32 114.58 115.49 3gtj h GLU 995 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gtj h GLU 995 Cb 0.15 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3gtj h GLU 995 CO 0.00 0.30 -0.17 0.27 -1.16 0.00 0.00 179.01 178.25 3gtj n ASN 996 N -3.64 2.08 -3.35 1.42 6.94 -0.33 -4.74 115.26 113.64 3gtj n ASN 996 Ca -0.01 -3.27 -0.39 0.00 -0.02 0.00 0.00 54.58 50.89 3gtj n ASN 996 Cb 0.42 -0.45 -0.02 0.00 -2.36 0.00 0.00 39.78 37.37 3gtj n ASN 996 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3gtj n LEU 997 N -1.28 8.26 -4.76 -4.53 4.77 -1.24 -4.99 117.00 113.22 3gtj n LEU 997 Ca 0.16 -4.62 -0.40 0.00 -0.03 0.00 0.00 56.01 51.13 3gtj n LEU 997 Cb 0.66 -1.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.33 3gtj n LEU 997 CO -0.00 2.05 1.05 -0.76 -1.33 0.00 0.00 177.39 178.40 3gtj s LEU 998 N -1.14 4.06 0.00 2.23 2.01 -1.26 -4.92 118.68 119.66 3gtj s LEU 998 Ca 0.61 2.90 0.00 0.00 0.01 0.00 0.00 54.13 57.65 3gtj s LEU 998 Cb 0.19 -4.00 0.00 0.00 0.01 0.00 0.00 46.19 42.39 3gtj s LEU 998 CO -0.08 -1.27 0.00 0.52 1.01 0.00 0.00 176.35 176.53 3gtj n VAL 999 N -0.37 0.00 -3.98 -1.59 0.31 -1.26 -4.89 118.33 106.54 3gtj n VAL 999 Ca 0.06 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.04 3gtj n VAL 999 Cb 0.42 -1.11 -0.09 0.00 -0.91 0.00 0.00 33.84 32.15 3gtj n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3gtj s LEU 1000N -5.61 3.89 0.01 7.52 1.43 -1.26 -5.00 118.68 119.66 3gtj s LEU 1000Ca 0.00 0.13 0.22 0.00 -1.03 0.00 0.00 54.13 53.46 3gtj s LEU 1000Cb 0.00 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 3gtj s LEU 1000CO 0.00 0.20 1.02 -1.14 0.23 0.00 0.00 176.35 176.66 3gtj n ARG 1001N 3.34 0.13 -0.76 1.70 3.00 -1.26 -4.95 116.66 117.86 3gtj n ARG 1001Ca -0.17 -0.02 -0.33 0.00 -0.00 0.00 0.00 57.85 57.34 3gtj n ARG 1001Cb 0.52 -1.53 0.14 0.00 0.00 0.00 0.00 32.46 31.59 3gtj n ARG 1001CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gtj n GLY 1002N 1.45 -2.33 0.82 5.14 0.00 -1.26 -4.99 105.19 104.01 3gtj n GLY 1002Ca 0.03 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.35 3gtj n GLY 1002CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gtj n LYS 1003N -1.59 1.07 -4.64 1.61 4.81 -1.26 -4.63 118.16 113.53 3gtj n LYS 1003Ca 0.04 -2.82 -0.29 0.00 -0.87 0.00 0.00 58.31 54.37 3gtj n LYS 1003Cb 0.58 -1.12 -0.09 0.00 0.02 0.00 0.00 35.03 34.42 3gtj n LYS 1003CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3gtj s ASN 1004N -2.80 3.65 0.06 3.14 2.20 -1.26 -5.01 114.94 114.92 3gtj s ASN 1004Ca 0.35 -1.52 -0.14 0.00 -0.94 0.00 0.00 52.86 50.62 3gtj s ASN 1004Cb 0.36 0.11 -0.04 0.00 -2.00 0.00 0.00 41.25 39.68 3gtj s ASN 1004CO -0.09 -0.69 1.23 -0.08 -2.94 0.00 0.00 177.10 174.53 3gtj h GLU 1005N 1.65 -0.12 -0.66 3.55 4.57 -1.99 -2.09 114.58 119.49 3gtj h GLU 1005Ca -0.42 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 57.69 3gtj h GLU 1005Cb 1.27 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.87 3gtj h GLU 1005CO 0.74 -0.08 0.11 -0.84 -1.18 0.00 0.00 179.01 177.76 3gtj h ILE 1006N -0.13 1.26 0.53 2.32 -2.65 -1.99 -2.14 117.51 114.71 3gtj h ILE 1006Ca 0.04 -1.03 -0.02 0.00 1.03 0.00 0.00 64.86 64.88 3gtj h ILE 1006Cb 0.23 0.63 0.00 0.00 -2.05 0.00 0.00 36.82 35.64 3gtj h ILE 1006CO -0.29 0.39 -0.28 0.40 0.03 0.00 0.00 178.15 178.39 3gtj h ILE 1007N 1.02 0.42 0.00 0.16 1.08 -1.91 -0.52 117.51 117.75 3gtj h ILE 1007Ca 0.20 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.66 3gtj h ILE 1007Cb 0.43 0.42 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 3gtj h ILE 1007CO 0.01 0.00 -0.05 1.56 -0.69 0.00 0.00 178.15 178.98 3gtj h GLN 1008N -0.75 0.00 0.20 2.37 1.08 -1.33 0.54 115.11 117.22 3gtj h GLN 1008Ca -0.07 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 3gtj h GLN 1008Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3gtj h GLN 1008CO 0.09 0.05 -0.10 -0.91 -0.95 0.00 0.00 178.83 177.02 3gtj h ASN 1009N 0.00 -0.23 -0.73 1.46 2.35 -0.64 -1.62 115.58 116.17 3gtj h ASN 1009Ca -0.00 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 3gtj h ASN 1009Cb 0.24 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3gtj h ASN 1009CO 0.01 0.17 0.40 0.00 -1.65 0.00 0.00 177.43 176.36 3gtj h ALA 1010N 0.00 1.30 -0.43 -0.83 0.00 -0.72 -0.75 119.26 117.83 3gtj h ALA 1010Ca -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3gtj h ALA 1010Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3gtj h ALA 1010CO 0.05 0.57 0.26 0.37 0.00 0.00 0.00 179.25 180.49 3gtj h GLN 1011N 1.04 0.59 -0.42 0.00 5.75 -0.96 0.32 115.11 121.43 3gtj h GLN 1011Ca 0.26 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 3gtj h GLN 1011Cb 0.04 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 3gtj h GLN 1011CO -0.04 0.44 0.17 -0.09 -2.65 0.00 0.00 178.83 176.66 3gtj h ARG 1012N 0.57 0.63 -0.27 1.69 2.43 -0.82 -3.23 114.38 115.37 3gtj h ARG 1012Ca 0.15 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 3gtj h ARG 1012Cb 0.01 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3gtj h ARG 1012CO -0.03 0.58 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.29 3gtj h ASP 1013N 0.54 0.71 0.14 -3.80 5.19 -0.71 -2.57 116.42 115.93 3gtj h ASP 1013Ca 0.14 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 3gtj h ASP 1013Cb 0.18 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.49 3gtj h ASP 1013CO -0.01 1.04 0.00 0.00 -3.12 0.00 0.00 179.24 177.15 3gtj n ALA 1014N -2.49 1.54 0.16 3.45 0.00 0.11 -1.62 120.51 121.67 3gtj n ALA 1014Ca -0.04 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.40 3gtj n ALA 1014Cb 0.46 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 3gtj n ALA 1014CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gtj n VAL 1015N -1.28 0.00 -0.28 0.00 0.31 -1.07 -4.75 118.33 111.26 3gtj n VAL 1015Ca 0.04 -0.24 -0.07 0.00 -0.01 0.00 0.00 64.34 64.05 3gtj n VAL 1015Cb 0.06 0.62 -0.07 0.00 -0.91 0.00 0.00 33.84 33.54 3gtj n VAL 1015CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3gtj n THR 1016N -1.52 -0.46 0.25 2.52 -1.04 -0.64 -2.16 114.28 111.24 3gtj n THR 1016Ca -0.00 1.76 -0.16 0.00 -2.04 0.00 0.00 64.05 63.60 3gtj n THR 1016Cb 0.17 -2.18 -0.09 0.00 -1.82 0.00 0.00 70.33 66.41 3gtj n THR 1016CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3gtj h LEU 1017N 0.00 -1.24 -1.21 -4.42 6.46 -1.85 -2.28 115.31 110.77 3gtj h LEU 1017Ca 0.11 0.10 0.38 0.00 -0.12 0.00 0.00 57.88 58.35 3gtj h LEU 1017Cb 0.28 0.41 -0.14 0.00 -0.73 0.00 0.00 40.66 40.48 3gtj h LEU 1017CO -0.64 -0.59 0.69 0.15 -0.62 0.00 0.00 178.44 177.44 3gtj h PHE 1018N -0.88 0.72 -0.32 1.25 3.57 -1.76 -1.65 116.94 117.87 3gtj h PHE 1018Ca -0.05 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 3gtj h PHE 1018Cb 0.77 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3gtj h PHE 1018CO -0.25 -0.21 -0.30 0.00 -2.23 0.00 0.00 178.31 175.33 3gtj h LEU 1021N 0.00 -0.01 0.18 0.00 5.85 -1.52 -3.03 115.31 116.79 3gtj h LEU 1021Ca 0.06 -0.78 0.01 0.00 0.84 0.00 0.00 57.88 58.01 3gtj h LEU 1021Cb 0.37 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3gtj h LEU 1021CO -0.00 0.79 -0.33 0.25 -0.34 0.00 0.00 178.44 178.81 3gtj h LEU 1022N -0.82 -0.93 -1.33 2.25 5.85 0.13 -1.32 115.31 119.13 3gtj h LEU 1022Ca -0.00 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3gtj h LEU 1022Cb 0.79 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 3gtj h LEU 1022CO 0.00 -0.43 0.50 0.03 -0.34 0.00 0.00 178.44 178.20 3gtj h ARG 1023N -0.60 0.78 0.00 1.25 3.08 0.31 -0.67 114.38 118.54 3gtj h ARG 1023Ca 0.01 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 3gtj h ARG 1023Cb 0.60 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3gtj h ARG 1023CO -0.15 0.52 -0.62 0.66 -1.07 0.00 0.00 179.97 179.30 3gtj h SER 1024N 0.81 0.00 0.14 7.04 4.64 -1.22 -3.20 113.55 121.76 3gtj h SER 1024Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3gtj h SER 1024Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3gtj h SER 1024CO -0.11 0.62 -1.61 0.54 -0.87 0.00 0.00 176.83 175.40 3gtj n ARG 1025N -3.77 0.49 -2.36 4.77 3.00 -0.57 -4.23 116.66 113.99 3gtj n ARG 1025Ca -0.01 -0.11 -0.32 0.00 -0.01 0.00 0.00 57.85 57.40 3gtj n ARG 1025Cb 0.62 -1.55 0.01 0.00 0.00 0.00 0.00 32.46 31.54 3gtj n ARG 1025CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3gtj n LEU 1026N -2.12 5.74 -4.79 0.55 4.77 -0.30 -4.72 117.00 116.13 3gtj n LEU 1026Ca -0.01 -5.16 -0.37 0.00 -0.03 0.00 0.00 56.01 50.43 3gtj n LEU 1026Cb 0.51 -0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 3gtj n LEU 1026CO 0.44 2.09 0.07 0.00 -1.33 0.00 0.00 177.39 178.66 3gtj s ALA 1027N -3.75 3.64 0.22 -1.18 0.00 -1.21 -4.88 121.76 114.59 3gtj s ALA 1027Ca 0.49 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 3gtj s ALA 1027Cb 0.39 -2.41 0.31 0.00 0.00 0.00 0.00 23.12 21.41 3gtj s ALA 1027CO -0.25 0.29 1.64 1.15 0.00 0.00 0.00 175.76 178.59 3gtj h THR 1028N 4.19 0.41 0.00 0.00 2.02 -1.91 0.87 112.91 118.48 3gtj h THR 1028Ca -0.47 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3gtj h THR 1028Cb 1.20 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3gtj h THR 1028CO 0.68 0.01 0.00 0.54 0.37 0.00 0.00 175.52 177.12 3gtj n ARG 1029N -5.35 0.01 -0.10 6.66 5.12 -1.26 -3.12 116.66 118.63 3gtj n ARG 1029Ca 0.10 0.37 -0.20 0.00 -1.93 0.00 0.00 57.85 56.19 3gtj n ARG 1029Cb 0.37 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.11 3gtj n ARG 1029CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3gtj n ARG 1030N -1.39 0.44 0.00 5.56 1.74 0.29 -4.17 116.66 119.13 3gtj n ARG 1030Ca 0.01 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3gtj n ARG 1030Cb 0.02 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3gtj n ARG 1030CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3gtj n VAL 1031N -4.01 0.00 -1.32 1.55 0.31 -0.54 -1.82 118.33 112.50 3gtj n VAL 1031Ca -0.36 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3gtj n VAL 1031Cb 0.72 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 3gtj n VAL 1031CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3gtj n LEU 1032N 0.07 0.00 0.08 7.52 4.77 -1.22 -3.68 117.00 124.54 3gtj n LEU 1032Ca 0.00 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3gtj n LEU 1032Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3gtj n LEU 1032CO 0.00 0.16 0.00 1.67 -1.33 0.00 0.00 177.39 177.89 3gtj n GLN 1033N 0.00 0.00 0.23 3.23 0.00 -0.75 -4.82 117.38 115.27 3gtj n GLN 1033Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.85 3gtj n GLN 1033Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.64 3gtj n GLN 1033CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 3gtj h GLU 1034N 0.00 -0.52 -3.26 3.69 5.08 -1.71 -3.38 114.58 114.48 3gtj h GLU 1034Ca 0.00 0.04 -0.61 0.00 -1.00 0.00 0.00 59.36 57.78 3gtj h GLU 1034Cb 0.00 0.12 -0.40 0.00 0.50 0.00 0.00 28.75 28.97 3gtj h GLU 1034CO 0.00 -0.29 -0.73 1.52 -1.00 0.00 0.00 179.01 178.52 3gtj s TYR 1035N -5.65 2.21 -0.69 4.33 -0.85 -1.14 -5.07 117.35 110.49 3gtj s TYR 1035Ca -0.15 -2.45 -0.26 0.00 -0.52 0.00 0.00 57.07 53.69 3gtj s TYR 1035Cb 0.04 -2.05 -0.04 0.00 0.38 0.00 0.00 41.96 40.28 3gtj s TYR 1035CO 0.61 -0.81 2.01 1.03 -1.52 0.00 0.00 175.55 176.87 3gtj s ARG 1036N 0.53 2.44 0.22 -3.49 0.52 -1.26 -4.35 118.95 113.56 3gtj s ARG 1036Ca 0.16 0.48 -0.12 0.00 -0.52 0.00 0.00 55.73 55.73 3gtj s ARG 1036Cb -0.23 -4.63 -0.07 0.00 0.52 0.00 0.00 34.95 30.53 3gtj s ARG 1036CO -0.04 -3.13 0.57 -0.51 0.02 0.00 0.00 175.30 172.21 3gtj s LEU 1037N 10.28 4.20 0.00 2.53 1.43 -1.24 -4.98 118.68 130.90 3gtj s LEU 1037Ca 0.74 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 3gtj s LEU 1037Cb -0.12 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3gtj s LEU 1037CO 0.15 -0.04 0.00 0.35 0.23 0.00 0.00 176.35 177.04 3gtj n THR 1038N 0.09 0.00 0.11 5.49 -2.24 -1.26 -4.65 114.28 111.82 3gtj n THR 1038Ca -0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 3gtj n THR 1038Cb 0.52 -1.75 -0.03 0.00 -2.10 0.00 0.00 70.33 66.97 3gtj n THR 1038CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3gtj h LYS 1039N 0.00 -0.34 -0.96 -0.78 3.11 -1.98 -3.20 116.57 112.42 3gtj h LYS 1039Ca 0.00 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.91 3gtj h LYS 1039Cb 0.00 0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 31.25 3gtj h LYS 1039CO 0.00 -0.23 0.62 0.37 -2.81 0.00 0.00 179.45 177.41 3gtj h GLN 1040N -0.92 1.16 0.00 1.90 4.15 -1.96 -0.91 115.11 118.53 3gtj h GLN 1040Ca -0.04 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3gtj h GLN 1040Cb 0.27 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3gtj h GLN 1040CO 0.06 0.77 0.00 0.00 -1.93 0.00 0.00 178.83 177.72 3gtj n ALA 1041N -2.36 1.69 -0.07 3.38 0.00 -1.26 -2.62 120.51 119.27 3gtj n ALA 1041Ca 0.13 0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 3gtj n ALA 1041Cb 0.11 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 3gtj n ALA 1041CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3gtj h PHE 1042N 0.00 0.00 -1.26 0.00 3.57 -1.16 -3.07 116.94 115.02 3gtj h PHE 1042Ca 0.00 0.00 0.37 0.00 3.53 0.00 0.00 57.97 61.87 3gtj h PHE 1042Cb 0.34 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3gtj h PHE 1042CO 0.00 0.16 1.06 -0.44 -2.23 0.00 0.00 178.31 176.87 3gtj h ASP 1043N -1.00 0.00 0.02 0.41 3.32 -1.47 0.41 116.42 118.10 3gtj h ASP 1043Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3gtj h ASP 1043Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3gtj h ASP 1043CO -0.02 0.00 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.24 3gtj h TRP 1044N 0.00 -0.03 -0.89 4.55 7.01 -1.63 -1.77 115.95 123.19 3gtj h TRP 1044Ca 0.60 -0.00 0.22 0.00 2.11 0.00 0.00 58.89 61.82 3gtj h TRP 1044Cb 2.72 0.01 -0.16 0.00 -2.10 0.00 0.00 29.16 29.63 3gtj h TRP 1044CO 0.00 -0.02 -0.01 0.28 -2.79 0.00 0.00 178.44 175.91 3gtj h VAL 1045N -0.05 0.16 0.13 2.65 2.07 -0.20 0.50 116.25 121.50 3gtj h VAL 1045Ca -0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3gtj h VAL 1045Cb 0.02 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3gtj h VAL 1045CO 0.01 0.01 -0.08 0.25 0.02 0.00 0.00 177.57 177.77 3gtj h LEU 1046N 0.05 -0.21 -1.92 2.57 5.85 -1.02 -1.70 115.31 118.93 3gtj h LEU 1046Ca 0.51 0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.45 3gtj h LEU 1046Cb 0.96 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 3gtj h LEU 1046CO -0.82 -0.12 0.61 -1.28 -0.34 0.00 0.00 178.44 176.49 3gtj h SER 1047N -0.20 0.00 -0.03 1.25 0.87 0.04 -0.33 113.55 115.15 3gtj h SER 1047Ca -0.02 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 3gtj h SER 1047Cb 0.16 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3gtj h SER 1047CO 0.01 0.00 -0.36 -1.13 -0.53 0.00 0.00 176.83 174.82 3gtj h ASN 1048N 0.00 0.37 -0.79 6.23 -0.73 0.07 -3.23 115.58 117.50 3gtj h ASN 1048Ca 0.34 -0.72 -0.02 0.00 1.87 0.00 0.00 56.30 57.78 3gtj h ASN 1048Cb 1.56 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 40.00 3gtj h ASN 1048CO -0.00 1.03 0.42 0.40 -0.37 0.00 0.00 177.43 178.91 3gtj h ILE 1049N -0.26 1.24 -0.20 2.57 2.04 -0.11 -1.69 117.51 121.10 3gtj h ILE 1049Ca -0.04 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.25 3gtj h ILE 1049Cb 1.06 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 3gtj h ILE 1049CO 0.07 0.27 -0.36 -0.08 0.00 0.00 0.00 178.15 178.06 3gtj h GLU 1050N 1.11 -0.37 -0.48 2.37 4.81 -1.55 0.08 114.58 120.53 3gtj h GLU 1050Ca 0.28 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.46 3gtj h GLU 1050Cb 0.06 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3gtj h GLU 1050CO -0.04 -0.25 0.00 0.00 -0.73 0.00 0.00 179.01 177.99 3gtj h ALA 1051N 0.41 0.65 -0.67 2.92 0.00 -1.53 -1.72 119.26 119.32 3gtj h ALA 1051Ca 0.11 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3gtj h ALA 1051Cb 0.57 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3gtj h ALA 1051CO -0.42 0.45 0.32 1.96 0.00 0.00 0.00 179.25 181.56 3gtj h GLN 1052N 0.71 0.54 0.62 0.00 1.08 -0.97 -2.30 115.11 114.78 3gtj h GLN 1052Ca 0.14 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 3gtj h GLN 1052Cb 0.51 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3gtj h GLN 1052CO 0.02 0.36 -0.30 0.35 -0.95 0.00 0.00 178.83 178.31 3gtj h PHE 1053N 0.55 -0.78 -0.47 2.96 3.57 -0.59 -2.78 116.94 119.41 3gtj h PHE 1053Ca 0.33 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.94 3gtj h PHE 1053Cb 0.34 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3gtj h PHE 1053CO -0.12 -0.45 0.49 -0.07 -2.23 0.00 0.00 178.31 175.93 3gtj h LEU 1054N -0.95 0.00 -1.29 0.59 3.38 -1.18 0.82 115.31 116.68 3gtj h LEU 1054Ca -0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3gtj h LEU 1054Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3gtj h LEU 1054CO 0.14 0.00 -0.34 0.03 0.09 0.00 0.00 178.44 178.36 3gtj h ARG 1055N 0.00 0.00 -0.06 1.13 3.08 -1.13 -3.25 114.38 114.15 3gtj h ARG 1055Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3gtj h ARG 1055Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3gtj h ARG 1055CO -0.00 0.34 0.00 0.43 -1.07 0.00 0.00 179.97 179.66 3gtj n SER 1056N -3.90 1.72 -4.75 7.04 7.64 0.29 -4.89 113.62 116.76 3gtj n SER 1056Ca -0.02 -1.60 -0.37 0.00 1.01 0.00 0.00 58.87 57.90 3gtj n SER 1056Cb 0.40 -0.03 0.04 0.00 -1.01 0.00 0.00 64.21 63.61 3gtj n SER 1056CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gtj s VAL 1057N -1.94 2.43 0.28 0.44 1.01 -1.21 -2.16 120.40 119.26 3gtj s VAL 1057Ca 0.36 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 3gtj s VAL 1057Cb 0.20 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.37 3gtj s VAL 1057CO 0.31 -0.05 1.10 -0.69 0.00 0.00 0.00 175.10 175.78 3gtj s VAL 1058N -1.50 3.48 -0.26 2.92 1.01 -0.95 -4.24 120.40 120.86 3gtj s VAL 1058Ca 0.77 1.49 -0.21 0.00 0.00 0.00 0.00 61.98 64.03 3gtj s VAL 1058Cb -0.33 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 3gtj s VAL 1058CO 0.37 0.36 0.68 -1.00 0.00 0.00 0.00 175.10 175.51 3gtj s HIS 1059N -1.16 3.27 -0.16 5.22 3.76 -1.26 -4.96 115.29 120.00 3gtj s HIS 1059Ca 0.44 0.85 -0.38 0.00 -0.15 0.00 0.00 55.06 55.83 3gtj s HIS 1059Cb -0.32 -2.94 -0.15 0.00 1.11 0.00 0.00 32.58 30.29 3gtj s HIS 1059CO 0.41 -0.38 1.73 -2.30 -0.85 0.00 0.00 174.74 173.35 3gtj n PRO 1060N 5.84 1.50 0.00 8.40 -0.02 -1.26 -2.02 135.00 147.44 3gtj n PRO 1060Ca 0.01 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3gtj n PRO 1060Cb 0.49 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3gtj n PRO 1060CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gtj n GLY 1061N 4.04 3.32 2.21 -1.23 0.00 -0.98 -4.94 105.19 107.61 3gtj n GLY 1061Ca 0.24 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 3gtj n GLY 1061CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtj n GLU 1062N 0.00 0.00 -2.95 1.61 -0.58 -0.85 -3.07 120.64 114.79 3gtj n GLU 1062Ca 0.00 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.30 3gtj n GLU 1062Cb 0.00 -0.89 -0.02 0.00 -0.57 0.00 0.00 31.44 29.96 3gtj n GLU 1062CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3gtj s MET 1063N 1.75 3.62 0.04 3.49 -1.94 -1.26 -2.30 119.30 122.70 3gtj s MET 1063Ca 0.62 -1.84 0.24 0.00 -1.71 0.00 0.00 55.69 53.00 3gtj s MET 1063Cb -0.88 -4.89 0.98 0.00 2.01 0.00 0.00 34.83 32.05 3gtj s MET 1063CO 0.48 -1.74 1.75 0.28 -0.01 0.00 0.00 175.02 175.79 3gtj n VAL 1064N 5.37 0.43 0.02 -6.03 0.31 -0.85 -3.17 118.33 114.40 3gtj n VAL 1064Ca 0.24 0.06 -0.01 0.00 -0.01 0.00 0.00 64.34 64.62 3gtj n VAL 1064Cb 0.49 -0.71 -0.01 0.00 -0.91 0.00 0.00 33.84 32.70 3gtj n VAL 1064CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3gtj h GLY 1065N 3.99 -0.72 0.44 2.92 0.00 -0.69 -0.92 103.07 108.09 3gtj h GLY 1065Ca 0.00 0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.68 3gtj h GLY 1065CO 0.00 -0.27 -0.19 -2.08 0.00 0.00 0.00 176.54 174.00 3gtj h VAL 1066N -0.05 0.53 -0.79 4.60 2.07 -1.61 -2.43 116.25 118.56 3gtj h VAL 1066Ca -0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 3gtj h VAL 1066Cb 0.04 0.53 -0.15 0.00 -1.52 0.00 0.00 31.29 30.20 3gtj h VAL 1066CO -0.00 0.00 -0.14 0.25 0.02 0.00 0.00 177.57 177.70 3gtj h LEU 1067N -0.25 -0.63 -0.17 2.57 7.12 -1.52 -0.62 115.31 121.79 3gtj h LEU 1067Ca 0.09 0.23 -0.05 0.00 0.13 0.00 0.00 57.88 58.28 3gtj h LEU 1067Cb 0.38 0.46 -0.00 0.00 -0.53 0.00 0.00 40.66 40.96 3gtj h LEU 1067CO -0.24 -0.25 -0.08 0.00 -0.13 0.00 0.00 178.44 177.74 3gtj h ALA 1068N 1.78 0.25 -0.25 1.25 0.00 -0.69 -0.98 119.26 120.62 3gtj h ALA 1068Ca 0.40 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3gtj h ALA 1068Cb 0.66 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 3gtj h ALA 1068CO -0.79 0.06 -0.14 0.00 0.00 0.00 0.00 179.25 178.38 3gtj h ALA 1069N 0.69 0.05 -0.40 0.00 0.00 -0.82 -0.58 119.26 118.19 3gtj h ALA 1069Ca 0.04 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3gtj h ALA 1069Cb 0.55 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3gtj h ALA 1069CO 0.02 -0.55 0.24 1.96 0.00 0.00 0.00 179.25 180.92 3gtj h GLN 1070N -0.12 0.48 0.00 0.00 4.20 -1.18 0.21 115.11 118.70 3gtj h GLN 1070Ca 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3gtj h GLN 1070Cb 0.32 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3gtj h GLN 1070CO -0.32 0.32 0.00 0.43 -0.67 0.00 0.00 178.83 178.58 3gtj n SER 1071N -4.85 0.64 -0.12 1.46 7.64 -0.38 -1.91 113.62 116.10 3gtj n SER 1071Ca 0.01 0.73 -0.16 0.00 1.01 0.00 0.00 58.87 60.47 3gtj n SER 1071Cb 0.06 -0.84 -0.13 0.00 -1.01 0.00 0.00 64.21 62.28 3gtj n SER 1071CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3gtj n ILE 1072N -2.29 1.47 0.00 0.44 5.41 -0.34 -4.56 119.36 119.50 3gtj n ILE 1072Ca 0.00 -0.66 -0.04 0.00 1.00 0.00 0.00 62.75 63.05 3gtj n ILE 1072Cb 0.12 -1.15 0.18 0.00 -0.71 0.00 0.00 39.64 38.08 3gtj n ILE 1072CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3gtj h GLY 1073N 2.56 0.56 0.75 7.39 0.00 -0.09 -2.84 103.07 111.38 3gtj h GLY 1073Ca -0.56 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.28 3gtj h GLY 1073CO -0.05 0.43 -0.19 -2.09 0.00 0.00 0.00 176.54 174.64 3gtj h GLU 1074N 0.45 -0.51 0.00 4.80 4.22 -1.64 0.85 114.58 122.76 3gtj h GLU 1074Ca 0.06 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.54 3gtj h GLU 1074Cb 0.70 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3gtj h GLU 1074CO 0.05 -0.21 0.00 -1.35 -2.18 0.00 0.00 179.01 175.32 3gtj h PRO 1075N -0.79 0.00 -0.15 0.92 0.11 -1.80 0.44 132.00 130.73 3gtj h PRO 1075Ca -0.05 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3gtj h PRO 1075Cb 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 3gtj h PRO 1075CO 0.09 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 177.85 3gtj h ALA 1076N 2.09 0.21 0.00 -0.75 0.00 -1.27 -2.14 119.26 117.39 3gtj h ALA 1076Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gtj h ALA 1076Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gtj h ALA 1076CO 0.00 -0.04 0.27 1.15 0.00 0.00 0.00 179.25 180.62 3gtj h THR 1077N -0.01 0.00 -0.15 0.00 2.02 0.24 0.78 112.91 115.79 3gtj h THR 1077Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3gtj h THR 1077Cb 0.45 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3gtj h THR 1077CO 0.01 0.00 0.00 1.67 0.37 0.00 0.00 175.52 177.57 3gtj n GLN 1078N -2.61 1.68 0.22 6.66 -0.06 -0.87 -4.37 117.38 118.02 3gtj n GLN 1078Ca -0.02 -1.69 0.12 0.00 -2.00 0.00 0.00 57.00 53.40 3gtj n GLN 1078Cb 0.31 -1.33 0.25 0.00 -4.06 0.00 0.00 30.24 25.41 3gtj n GLN 1078CO 0.00 0.00 0.00 1.98 -0.20 0.00 0.00 177.06 178.84 3gtj h MET 1079N 3.11 0.00 -5.28 3.69 4.05 0.12 -3.41 114.93 117.22 3gtj h MET 1079Ca 0.00 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.24 3gtj h MET 1079Cb 0.72 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 3gtj h MET 1079CO 0.00 0.08 0.58 2.41 0.23 0.00 0.00 176.91 180.21 3gtj n THR 1080N -3.13 1.02 0.00 -0.77 -1.04 -1.25 -4.67 114.28 104.44 3gtj n THR 1080Ca 0.03 -1.06 0.00 0.00 -2.04 0.00 0.00 64.05 60.98 3gtj n THR 1080Cb 0.52 -2.09 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 3gtj n THR 1080CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3gtj n LEU 1081N 17.02 0.00 -3.78 -4.42 4.77 -1.26 -5.02 117.00 124.32 3gtj n LEU 1081Ca 0.43 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 56.12 3gtj n LEU 1081Cb 0.47 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.40 3gtj n LEU 1081CO 0.64 0.00 -0.37 0.54 -1.33 0.00 0.00 177.39 176.87 3gtj s ASN 1082N 1.15 3.35 0.00 -1.43 4.22 -1.26 -4.84 114.94 116.13 3gtj s ASN 1082Ca 0.00 -1.07 0.00 0.00 -2.14 0.00 0.00 52.86 49.65 3gtj s ASN 1082Cb 0.00 -0.77 0.00 0.00 1.28 0.00 0.00 41.25 41.76 3gtj s ASN 1082CO 0.00 -0.32 0.00 0.41 -2.04 0.00 0.00 177.10 175.15 3gtj n THR 1083N 4.93 0.00 -2.50 0.54 -1.04 -1.26 -4.29 114.28 110.66 3gtj n THR 1083Ca -0.08 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.92 3gtj n THR 1083Cb 0.45 -0.10 0.03 0.00 -1.82 0.00 0.00 70.33 68.89 3gtj n THR 1083CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3gtj n PHE 1084N -1.45 -0.13 -1.51 -1.42 1.16 -1.26 -4.98 117.46 107.88 3gtj n PHE 1084Ca 0.00 -1.17 -0.39 0.00 -1.87 0.00 0.00 57.45 54.03 3gtj n PHE 1084Cb 0.09 0.36 -0.14 0.00 -1.61 0.00 0.00 39.48 38.17 3gtj n PHE 1084CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 3gtj n HIS 1085N -0.34 0.62 0.00 2.97 -0.00 -1.26 -4.57 115.22 112.65 3gtj n HIS 1085Ca -0.07 0.32 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 3gtj n HIS 1085Cb 0.89 -2.27 0.00 0.00 -0.00 0.00 0.00 29.99 28.61 3gtj n HIS 1085CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3gtj n VAL 1089N 7.42 0.00 -1.55 1.59 0.31 -1.26 -4.47 118.33 120.38 3gtj n VAL 1089Ca 0.63 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 65.04 3gtj n VAL 1089Cb 0.10 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.98 3gtj n VAL 1089CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gtj n ALA 1090N 0.00 -2.89 -1.97 3.52 0.00 -1.26 -5.00 120.51 112.91 3gtj n ALA 1090Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.16 3gtj n ALA 1090Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3gtj n ALA 1090CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gtj n SER 1091N -3.48 -9.22 0.05 0.00 7.64 -1.26 -4.95 113.62 102.41 3gtj n SER 1091Ca -0.05 1.36 -0.02 0.00 1.01 0.00 0.00 58.87 61.17 3gtj n SER 1091Cb 0.59 -5.07 -0.01 0.00 -1.01 0.00 0.00 64.21 58.71 3gtj n SER 1091CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3gtj h LYS 1092N 3.70 -0.15 -0.17 1.43 1.79 -1.95 -3.47 116.57 117.75 3gtj h LYS 1092Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3gtj h LYS 1092Cb 0.00 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3gtj h LYS 1092CO 0.00 -0.10 0.00 1.63 -1.08 0.00 0.00 179.45 179.90 3gtj n LYS 1093N -3.16 1.72 -1.25 3.15 4.76 -1.26 -5.09 118.16 117.02 3gtj n LYS 1093Ca -0.02 -1.08 -0.30 0.00 -2.87 0.00 0.00 58.31 54.04 3gtj n LYS 1093Cb 0.06 -1.38 0.11 0.00 -1.84 0.00 0.00 35.03 31.98 3gtj n LYS 1093CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3gtj s VAL 1094N -1.78 3.07 -0.07 -0.18 -7.23 -1.26 -4.98 120.40 107.98 3gtj s VAL 1094Ca 0.32 0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 60.54 3gtj s VAL 1094Cb 0.17 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 3gtj s VAL 1094CO 0.25 -0.45 1.47 0.42 -0.31 0.00 0.00 175.10 176.48 3gtj s THR 1095N -2.92 3.81 0.34 5.32 -4.23 -1.26 -5.02 115.64 111.68 3gtj s THR 1095Ca 0.62 1.06 0.04 0.00 -1.18 0.00 0.00 61.69 62.22 3gtj s THR 1095Cb -0.17 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 69.97 3gtj s THR 1095CO 0.56 -0.06 0.13 -1.54 -0.54 0.00 0.00 174.62 173.17 3gtj n SER 1096N 6.40 1.09 -0.14 3.99 3.41 -1.26 -4.68 113.62 122.43 3gtj n SER 1096Ca 0.15 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 3gtj n SER 1096Cb 0.44 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 3gtj n SER 1096CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtj n GLY 1097N -0.34 -1.54 0.28 5.00 0.00 -1.26 -3.81 105.19 103.53 3gtj n GLY 1097Ca -0.04 -1.29 0.07 0.00 0.00 0.00 0.00 46.02 44.76 3gtj n GLY 1097CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gtj h VAL 1098N 0.00 0.46 -0.67 1.61 2.07 -1.94 -1.48 116.25 116.31 3gtj h VAL 1098Ca 0.00 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.57 3gtj h VAL 1098Cb 0.00 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 29.83 3gtj h VAL 1098CO 0.00 0.05 -0.16 -0.65 0.02 0.00 0.00 177.57 176.83 3gtj h PRO 1099N 0.26 0.00 0.29 1.57 0.11 -1.99 0.42 132.00 132.66 3gtj h PRO 1099Ca 0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.55 3gtj h PRO 1099Cb 0.80 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3gtj h PRO 1099CO -0.55 0.00 -0.14 -0.09 -0.21 0.00 0.00 178.00 177.01 3gtj h ARG 1100N 0.01 -0.38 -0.87 1.05 9.65 -1.40 -2.75 114.38 119.68 3gtj h ARG 1100Ca 0.32 0.03 0.19 0.00 -1.10 0.00 0.00 59.98 59.42 3gtj h ARG 1100Cb 0.50 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 29.10 3gtj h ARG 1100CO -0.68 -0.15 0.58 1.25 2.80 0.00 0.00 179.97 183.77 3gtj h LEU 1101N -0.55 0.38 -0.62 3.80 5.85 -0.40 0.24 115.31 124.01 3gtj h LEU 1101Ca -0.04 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3gtj h LEU 1101Cb 0.41 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3gtj h LEU 1101CO 0.07 0.16 0.32 0.50 -0.34 0.00 0.00 178.44 179.15 3gtj h LYS 1102N 0.39 0.89 0.73 1.25 3.64 -0.02 -2.74 116.57 120.70 3gtj h LYS 1102Ca 0.45 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.67 3gtj h LYS 1102Cb 1.13 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.79 3gtj h LYS 1102CO -0.16 0.69 -0.35 0.93 -2.27 0.00 0.00 179.45 178.29 3gtj h GLU 1103N 0.85 -0.95 -1.40 1.90 5.08 -0.31 -2.51 114.58 117.24 3gtj h GLU 1103Ca 0.22 0.06 0.46 0.00 -1.00 0.00 0.00 59.36 59.10 3gtj h GLU 1103Cb 0.08 0.22 -0.12 0.00 0.50 0.00 0.00 28.75 29.43 3gtj h GLU 1103CO -0.03 -0.61 0.92 0.82 -1.00 0.00 0.00 179.01 179.11 3gtj h ILE 1104N -1.07 0.08 0.00 3.13 1.08 -0.98 0.40 117.51 120.15 3gtj h ILE 1104Ca -0.10 -0.02 -0.09 0.00 -0.39 0.00 0.00 64.86 64.26 3gtj h ILE 1104Cb 0.77 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 3gtj h ILE 1104CO 0.17 0.01 -1.80 0.18 -0.69 0.00 0.00 178.15 176.01 3gtj n LEU 1105N -4.62 0.28 -0.01 1.44 4.77 -1.04 -3.94 117.00 113.88 3gtj n LEU 1105Ca 0.39 0.12 0.14 0.00 -0.03 0.00 0.00 56.01 56.62 3gtj n LEU 1105Cb 1.53 0.09 0.60 0.00 -2.33 0.00 0.00 43.42 43.31 3gtj n LEU 1105CO 0.23 0.08 0.90 0.59 -1.33 0.00 0.00 177.39 177.86 3gtj n ASN 1106N -2.52 0.10 -3.61 -1.43 3.02 0.13 -0.55 115.26 110.40 3gtj n ASN 1106Ca -0.09 0.20 -0.22 0.00 -0.03 0.00 0.00 54.58 54.44 3gtj n ASN 1106Cb 0.71 -0.33 0.01 0.00 -0.61 0.00 0.00 39.78 39.55 3gtj n ASN 1106CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3gtj n VAL 1107N -1.42 -4.77 -2.69 2.41 0.31 -0.66 -4.80 118.33 106.72 3gtj n VAL 1107Ca 0.09 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.98 3gtj n VAL 1107Cb 0.32 -3.80 -0.03 0.00 -0.91 0.00 0.00 33.84 29.42 3gtj n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gtj s ALA 1108N -2.78 3.39 0.06 3.52 0.00 -1.19 -4.96 121.76 119.79 3gtj s ALA 1108Ca 0.06 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 3gtj s ALA 1108Cb -0.01 -3.43 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 3gtj s ALA 1108CO 0.87 -0.59 1.30 0.87 0.00 0.00 0.00 175.76 178.21 3gtj h LYS 1109N 7.08 0.54 -3.97 0.00 1.79 -1.95 -3.40 116.57 116.66 3gtj h LYS 1109Ca -0.31 -0.37 -0.77 0.00 -2.18 0.00 0.00 60.65 57.01 3gtj h LYS 1109Cb 1.15 0.06 -0.25 0.00 -1.58 0.00 0.00 32.23 31.61 3gtj h LYS 1109CO 0.85 0.99 -0.07 -0.80 -1.08 0.00 0.00 179.45 179.34 3gtj s ASN 1110N -6.56 6.46 -0.13 0.86 0.01 -1.26 -5.05 114.94 109.28 3gtj s ASN 1110Ca -0.13 -2.22 -0.06 0.00 -0.71 0.00 0.00 52.86 49.75 3gtj s ASN 1110Cb 0.06 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 3gtj s ASN 1110CO 0.82 -0.73 0.08 0.00 -1.51 0.00 0.00 177.10 175.76 3gtj s MET 1111N 0.93 3.52 0.32 -0.60 0.23 -1.26 -5.03 119.30 117.41 3gtj s MET 1111Ca 0.10 -0.28 0.02 0.00 -1.03 0.00 0.00 55.69 54.50 3gtj s MET 1111Cb -0.20 -3.10 0.55 0.00 -1.53 0.00 0.00 34.83 30.55 3gtj s MET 1111CO -0.03 0.58 1.89 0.87 -2.03 0.00 0.00 175.02 176.31 3gtj h LYS 1112N 5.64 0.70 -2.65 3.16 6.56 -1.98 -3.35 116.57 124.65 3gtj h LYS 1112Ca -0.48 -0.12 -0.60 0.00 -1.06 0.00 0.00 60.65 58.40 3gtj h LYS 1112Cb 1.20 -0.12 -0.40 0.00 -0.57 0.00 0.00 32.23 32.34 3gtj h LYS 1112CO 0.62 0.61 -0.80 2.41 -2.06 0.00 0.00 179.45 180.23 3gtj n THR 1113N -4.32 0.05 -2.72 -0.16 -1.04 -1.26 -5.01 114.28 99.82 3gtj n THR 1113Ca 0.03 -4.07 -0.34 0.00 -2.04 0.00 0.00 64.05 57.63 3gtj n THR 1113Cb 0.19 -1.89 -0.06 0.00 -1.82 0.00 0.00 70.33 66.75 3gtj n THR 1113CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3gtj s PRO 1114N -0.65 4.17 -0.15 -2.82 0.02 -1.26 -4.75 135.00 129.57 3gtj s PRO 1114Ca 0.30 1.25 -0.06 0.00 0.02 0.00 0.00 61.00 62.51 3gtj s PRO 1114Cb 0.01 -2.29 0.06 0.00 0.02 0.00 0.00 34.50 32.31 3gtj s PRO 1114CO -0.18 -0.10 0.32 0.45 -0.33 0.00 0.00 177.00 177.17 3gtj s SER 1115N -1.98 -0.12 0.34 2.53 0.15 -1.26 -2.51 113.70 110.84 3gtj s SER 1115Ca 0.61 0.73 -0.19 0.00 0.70 0.00 0.00 55.95 57.80 3gtj s SER 1115Cb -0.14 0.78 -0.10 0.00 -1.71 0.00 0.00 66.02 64.86 3gtj s SER 1115CO 0.18 -0.21 0.83 -0.76 1.20 0.00 0.00 173.24 174.48 3gtj s LEU 1116N 1.95 4.11 -0.18 3.45 2.01 -1.22 -2.69 118.68 126.11 3gtj s LEU 1116Ca -0.04 1.51 -0.04 0.00 0.01 0.00 0.00 54.13 55.56 3gtj s LEU 1116Cb -0.11 -4.13 0.08 0.00 0.01 0.00 0.00 46.19 42.04 3gtj s LEU 1116CO -0.10 -0.19 0.17 -0.89 1.01 0.00 0.00 176.35 176.34 3gtj s THR 1117N -1.92 -0.23 0.07 5.49 2.01 -0.91 -1.88 115.64 118.27 3gtj s THR 1117Ca 0.54 -0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.53 3gtj s THR 1117Cb -0.12 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 3gtj s THR 1117CO 0.17 -0.20 -0.15 0.68 -0.69 0.00 0.00 174.62 174.44 3gtj s VAL 1118N 2.25 3.04 0.08 3.82 -7.23 -0.79 -1.23 120.40 120.33 3gtj s VAL 1118Ca 0.05 -1.24 0.09 0.00 -1.81 0.00 0.00 61.98 59.08 3gtj s VAL 1118Cb -0.15 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 3gtj s VAL 1118CO -0.10 0.23 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.36 3gtj s TYR 1119N -1.05 2.37 0.86 2.82 1.51 -1.26 -2.38 117.35 120.22 3gtj s TYR 1119Ca 0.17 -0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 55.75 3gtj s TYR 1119Cb -0.11 -1.35 0.11 0.00 -0.11 0.00 0.00 41.96 40.50 3gtj s TYR 1119CO 0.09 0.23 1.09 -0.51 -1.11 0.00 0.00 175.55 175.34 3gtj s LEU 1120N -1.59 2.44 0.17 -1.29 1.02 -1.26 -0.35 118.68 117.83 3gtj s LEU 1120Ca 0.13 1.55 -0.31 0.00 0.02 0.00 0.00 54.13 55.52 3gtj s LEU 1120Cb -0.10 -4.04 -0.09 0.00 0.02 0.00 0.00 46.19 41.97 3gtj s LEU 1120CO 0.04 -2.48 1.49 -0.70 0.02 0.00 0.00 176.35 174.73 3gtj s GLU 1121N -4.94 4.26 0.45 1.70 2.12 -1.08 -4.05 118.70 117.16 3gtj s GLU 1121Ca 0.63 2.27 0.28 0.00 0.36 0.00 0.00 54.97 58.51 3gtj s GLU 1121Cb -0.18 -3.17 1.36 0.00 0.26 0.00 0.00 34.13 32.40 3gtj s GLU 1121CO 0.57 -0.52 1.69 -1.35 -0.54 0.00 0.00 175.26 175.11 3gtj h PRO 1122N 6.39 0.16 -0.90 4.30 0.11 -1.93 0.31 132.00 140.45 3gtj h PRO 1122Ca -0.43 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 65.90 3gtj h PRO 1122Cb 1.21 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3gtj h PRO 1122CO 0.87 0.11 0.62 0.78 -0.21 0.00 0.00 178.00 180.16 3gtj h GLY 1123N 0.17 0.49 -2.34 -0.55 0.00 -1.98 -3.41 103.07 95.46 3gtj h GLY 1123Ca 0.72 -0.10 -0.56 0.00 0.00 0.00 0.00 47.33 47.39 3gtj h GLY 1123CO -0.29 -0.01 -0.59 0.30 0.00 0.00 0.00 176.54 175.94 3gtj s HIS 1124N -5.22 2.66 0.09 5.60 3.76 0.11 -5.09 115.29 117.20 3gtj s HIS 1124Ca -0.07 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 3gtj s HIS 1124Cb 0.22 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.46 3gtj s HIS 1124CO 0.78 0.47 0.00 0.00 -0.85 0.00 0.00 174.74 175.14 3gtj n ALA 1125N -1.01 2.07 -0.80 -1.40 0.00 -1.26 -4.52 120.51 113.58 3gtj n ALA 1125Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.47 3gtj n ALA 1125Cb 0.61 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.33 3gtj n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtj n ALA 1126N -2.75 2.97 -2.52 0.00 0.00 -1.26 -3.56 120.51 113.38 3gtj n ALA 1126Ca 0.00 -1.99 -0.40 0.00 0.00 0.00 0.00 53.44 51.05 3gtj n ALA 1126Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 3gtj n ALA 1126CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gtj s ASP 1127N -1.53 6.41 0.26 0.00 2.15 -1.26 -4.88 116.67 117.82 3gtj s ASP 1127Ca 0.41 -1.45 -0.02 0.00 0.43 0.00 0.00 52.55 51.93 3gtj s ASP 1127Cb 0.31 -2.57 0.49 0.00 -0.30 0.00 0.00 42.92 40.85 3gtj s ASP 1127CO 0.12 -1.59 1.79 0.06 -0.17 0.00 0.00 175.17 175.38 3gtj h GLN 1128N 9.79 0.71 -0.70 4.34 -0.00 -2.00 -1.70 115.11 125.55 3gtj h GLN 1128Ca 0.21 -0.04 0.14 0.00 -0.00 0.00 0.00 58.65 58.96 3gtj h GLN 1128Cb 1.00 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.48 28.28 3gtj h GLN 1128CO 1.41 0.47 0.47 1.49 -0.00 0.00 0.00 178.83 182.67 3gtj h GLU 1129N 0.73 0.32 0.24 0.06 4.81 -2.00 0.15 114.58 118.89 3gtj h GLU 1129Ca 0.45 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 3gtj h GLU 1129Cb 0.54 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3gtj h GLU 1129CO -0.31 0.21 -0.11 0.37 -0.73 0.00 0.00 179.01 178.44 3gtj h GLN 1130N 0.33 -0.31 -0.47 1.92 5.75 -1.73 -2.97 115.11 117.64 3gtj h GLN 1130Ca 0.34 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.89 3gtj h GLN 1130Cb 0.85 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 3gtj h GLN 1130CO -0.09 -0.06 0.24 0.00 -2.65 0.00 0.00 178.83 176.28 3gtj h ALA 1131N 0.17 0.59 -0.56 3.38 0.00 -0.68 -2.23 119.26 119.93 3gtj h ALA 1131Ca -0.03 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3gtj h ALA 1131Cb 0.39 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 3gtj h ALA 1131CO 0.05 -0.10 0.06 0.87 0.00 0.00 0.00 179.25 180.14 3gtj h LYS 1132N 0.48 0.18 0.23 0.00 1.57 -1.09 0.38 116.57 118.32 3gtj h LYS 1132Ca 0.20 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3gtj h LYS 1132Cb 0.09 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3gtj h LYS 1132CO -0.13 0.12 -0.51 -0.07 -0.57 0.00 0.00 179.45 178.29 3gtj h LEU 1133N 0.18 -1.48 -0.63 2.94 3.38 -1.25 -1.11 115.31 117.34 3gtj h LEU 1133Ca 0.29 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.50 3gtj h LEU 1133Cb 0.44 0.53 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 3gtj h LEU 1133CO -0.42 -0.58 0.27 0.40 0.09 0.00 0.00 178.44 178.20 3gtj h ILE 1134N -0.81 0.81 -0.54 1.22 2.04 -0.81 0.15 117.51 119.58 3gtj h ILE 1134Ca -0.02 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.76 3gtj h ILE 1134Cb 0.78 0.29 -0.10 0.00 -0.74 0.00 0.00 36.82 37.05 3gtj h ILE 1134CO -0.22 0.09 -0.47 -0.09 0.00 0.00 0.00 178.15 177.46 3gtj h ARG 1135N 0.48 -0.26 -0.89 2.37 2.43 -0.02 -2.07 114.38 116.42 3gtj h ARG 1135Ca 0.31 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.47 3gtj h ARG 1135Cb 0.36 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3gtj h ARG 1135CO -0.28 -0.17 0.03 -1.13 -1.51 0.00 0.00 179.97 176.91 3gtj n SER 1136N -5.40 2.61 0.00 -3.80 3.41 0.41 -2.13 113.62 108.73 3gtj n SER 1136Ca 0.00 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 3gtj n SER 1136Cb 0.34 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3gtj n SER 1136CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtj n ALA 1137N 0.16 1.94 -0.07 7.33 0.00 -0.45 -4.84 120.51 124.58 3gtj n ALA 1137Ca 0.10 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 3gtj n ALA 1137Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 3gtj n ALA 1137CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3gtj n ILE 1138N -0.89 0.93 -1.63 0.00 2.08 -0.90 -3.92 119.36 115.02 3gtj n ILE 1138Ca 0.00 -0.13 -0.47 0.00 0.56 0.00 0.00 62.75 62.71 3gtj n ILE 1138Cb 0.00 -1.76 -0.04 0.00 -0.75 0.00 0.00 39.64 37.09 3gtj n ILE 1138CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3gtj n GLU 1139N -3.74 1.66 -2.70 0.38 2.13 -0.91 -1.28 120.64 116.19 3gtj n GLU 1139Ca -0.26 0.60 -0.41 0.00 0.66 0.00 0.00 57.16 57.74 3gtj n GLU 1139Cb 0.64 -2.23 -0.04 0.00 0.27 0.00 0.00 31.44 30.07 3gtj n GLU 1139CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3gtj s HIS 1140N 0.24 3.74 -0.13 4.31 5.65 -1.19 -4.14 115.29 123.77 3gtj s HIS 1140Ca 0.75 1.74 -0.04 0.00 0.25 0.00 0.00 55.06 57.77 3gtj s HIS 1140Cb -0.77 -3.10 0.05 0.00 -1.18 0.00 0.00 32.58 27.58 3gtj s HIS 1140CO 0.47 0.05 0.07 0.99 -0.65 0.00 0.00 174.74 175.67 3gtj s THR 1141N 0.33 0.02 0.21 0.89 2.01 -1.20 -4.91 115.64 112.99 3gtj s THR 1141Ca 0.49 -0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.37 3gtj s THR 1141Cb -0.23 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.69 3gtj s THR 1141CO 0.30 -0.12 0.49 0.42 -0.69 0.00 0.00 174.62 175.01 3gtj s THR 1142N 2.10 5.04 0.49 -0.82 -4.23 -1.26 -1.66 115.64 115.29 3gtj s THR 1142Ca 0.03 0.20 0.25 0.00 -1.18 0.00 0.00 61.69 60.99 3gtj s THR 1142Cb -0.15 -3.65 0.43 0.00 1.34 0.00 0.00 72.50 70.47 3gtj s THR 1142CO -0.07 -0.10 1.88 0.25 -0.54 0.00 0.00 174.62 176.05 3gtj h LEU 1143N 2.42 0.17 -0.98 4.79 5.85 -1.66 -1.00 115.31 124.90 3gtj h LEU 1143Ca -0.47 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.34 3gtj h LEU 1143Cb 1.17 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 3gtj h LEU 1143CO 0.70 0.07 0.63 0.50 -0.34 0.00 0.00 178.44 179.99 3gtj h LYS 1144N 0.17 1.09 0.00 1.25 3.64 -1.84 -2.10 116.57 118.77 3gtj h LYS 1144Ca 0.43 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 3gtj h LYS 1144Cb 1.43 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3gtj h LYS 1144CO -0.08 0.72 0.00 -1.13 -2.27 0.00 0.00 179.45 176.69 3gtj n SER 1145N -4.54 0.00 -0.95 4.20 3.41 -0.38 -3.05 113.62 112.32 3gtj n SER 1145Ca 0.15 0.09 0.05 0.00 -0.26 0.00 0.00 58.87 58.90 3gtj n SER 1145Cb 0.20 -0.29 0.14 0.00 -0.26 0.00 0.00 64.21 64.00 3gtj n SER 1145CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3gtj n VAL 1146N -1.29 1.38 -4.04 -3.33 0.24 -0.79 -4.97 118.33 105.53 3gtj n VAL 1146Ca 0.07 -2.41 -0.34 0.00 -2.04 0.00 0.00 64.34 59.62 3gtj n VAL 1146Cb 0.11 0.23 -0.15 0.00 -1.47 0.00 0.00 33.84 32.56 3gtj n VAL 1146CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3gtj s THR 1147N -2.03 2.50 -0.02 3.34 2.01 -1.17 -3.64 115.64 116.62 3gtj s THR 1147Ca 0.37 -0.91 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 3gtj s THR 1147Cb 0.38 -2.14 -0.15 0.00 0.01 0.00 0.00 72.50 70.60 3gtj s THR 1147CO -0.11 0.41 0.98 0.40 -0.69 0.00 0.00 174.62 175.61 3gtj h ILE 1148N 5.99 0.60 -2.00 1.82 1.08 -1.72 -3.47 117.51 119.82 3gtj h ILE 1148Ca -0.41 -0.80 -0.02 0.00 -0.39 0.00 0.00 64.86 63.24 3gtj h ILE 1148Cb 1.13 0.95 -0.21 0.00 -3.07 0.00 0.00 36.82 35.62 3gtj h ILE 1148CO 0.61 0.13 0.10 0.00 -0.69 0.00 0.00 178.15 178.30 3gtj s ALA 1149N -4.22 -1.81 0.05 1.87 0.00 -1.24 -5.03 121.76 111.37 3gtj s ALA 1149Ca -0.13 2.15 0.00 0.00 0.00 0.00 0.00 51.96 53.99 3gtj s ALA 1149Cb 0.01 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 3gtj s ALA 1149CO 0.46 -0.35 0.17 -1.54 0.00 0.00 0.00 175.76 174.50 3gtj s SER 1150N 0.77 6.14 -0.11 0.00 1.04 -1.26 -2.04 113.70 118.24 3gtj s SER 1150Ca -0.03 0.22 -0.29 0.00 0.48 0.00 0.00 55.95 56.32 3gtj s SER 1150Cb -0.05 -1.85 0.07 0.00 0.10 0.00 0.00 66.02 64.30 3gtj s SER 1150CO -0.06 0.20 0.71 -1.83 0.98 0.00 0.00 173.24 173.24 3gtj s GLU 1151N -2.32 0.97 -0.05 4.02 -1.05 -1.10 -5.01 118.70 114.16 3gtj s GLU 1151Ca 0.31 0.43 -0.01 0.00 -0.15 0.00 0.00 54.97 55.55 3gtj s GLU 1151Cb -0.13 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 3gtj s GLU 1151CO 0.24 -0.27 0.04 0.42 0.95 0.00 0.00 175.26 176.65 3gtj s ILE 1152N -0.81 4.54 0.06 1.83 1.09 -1.26 0.23 121.20 126.88 3gtj s ILE 1152Ca -0.08 -0.32 0.01 0.00 -1.10 0.00 0.00 60.65 59.17 3gtj s ILE 1152Cb -0.01 -2.99 -0.03 0.00 -1.06 0.00 0.00 42.46 38.37 3gtj s ILE 1152CO 0.07 0.48 -0.06 -0.31 -0.10 0.00 0.00 174.94 175.03 3gtj s TYR 1153N -1.03 0.64 -0.88 3.97 1.51 -1.01 -4.97 117.35 115.57 3gtj s TYR 1153Ca 0.18 -0.71 -0.17 0.00 -1.01 0.00 0.00 57.07 55.36 3gtj s TYR 1153Cb -0.12 -0.40 0.17 0.00 -0.11 0.00 0.00 41.96 41.51 3gtj s TYR 1153CO 0.08 -0.17 0.97 -0.47 -1.11 0.00 0.00 175.55 174.85 3gtj s TYR 1154N -2.43 3.40 -0.33 2.71 5.04 -1.26 -1.75 117.35 122.74 3gtj s TYR 1154Ca -0.02 -1.65 -0.09 0.00 -2.44 0.00 0.00 57.07 52.87 3gtj s TYR 1154Cb -0.03 -4.08 0.01 0.00 0.35 0.00 0.00 41.96 38.22 3gtj s TYR 1154CO -0.03 -1.27 0.14 0.34 -1.34 0.00 0.00 175.55 173.39 3gtj s ASP 1155N 2.98 5.44 -0.19 4.32 2.15 -1.25 -4.95 116.67 125.16 3gtj s ASP 1155Ca 0.26 -0.77 -0.16 0.00 0.43 0.00 0.00 52.55 52.31 3gtj s ASP 1155Cb -0.07 -1.95 -0.12 0.00 -0.30 0.00 0.00 42.92 40.47 3gtj s ASP 1155CO -0.09 -0.26 -0.03 -0.81 -0.17 0.00 0.00 175.17 173.81 3gtj n PRO 1156N 4.93 0.53 -2.22 4.34 -0.05 -1.26 -4.47 135.00 136.79 3gtj n PRO 1156Ca -0.13 0.49 -0.43 0.00 -0.05 0.00 0.00 63.50 63.38 3gtj n PRO 1156Cb 0.47 -1.67 -0.02 0.00 -0.05 0.00 0.00 33.50 32.23 3gtj n PRO 1156CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 3gtj s ASP 1157N -6.49 6.29 0.06 3.54 -1.08 -1.26 -4.91 116.67 112.82 3gtj s ASP 1157Ca -0.25 1.17 -0.20 0.00 -0.52 0.00 0.00 52.55 52.74 3gtj s ASP 1157Cb 0.06 -2.53 -0.12 0.00 -1.46 0.00 0.00 42.92 38.87 3gtj s ASP 1157CO 0.44 -1.41 1.48 -0.65 0.52 0.00 0.00 175.17 175.55 3gtj h PRO 1158N 11.03 0.31 -0.32 4.34 0.11 -1.93 -3.18 132.00 142.36 3gtj h PRO 1158Ca -0.30 -0.11 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 3gtj h PRO 1158Cb 1.13 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3gtj h PRO 1158CO 1.05 0.54 -0.12 0.00 -0.21 0.00 0.00 178.00 179.26 3gtj h ARG 1159N 0.05 0.55 -4.70 1.05 2.47 -2.02 -3.39 114.38 108.40 3gtj h ARG 1159Ca 0.05 -0.16 -0.67 0.00 -1.26 0.00 0.00 59.98 57.93 3gtj h ARG 1159Cb 0.41 -0.06 -0.37 0.00 -1.65 0.00 0.00 29.97 28.30 3gtj h ARG 1159CO 0.01 0.66 -0.70 -1.12 0.56 0.00 0.00 179.97 179.38 3gtj s SER 1160N -6.76 4.82 0.40 7.04 0.01 -1.20 -5.03 113.70 112.98 3gtj s SER 1160Ca -0.08 -1.85 -0.23 0.00 1.31 0.00 0.00 55.95 55.11 3gtj s SER 1160Cb 0.14 -1.66 -0.10 0.00 0.21 0.00 0.00 66.02 64.61 3gtj s SER 1160CO 0.78 -0.36 0.98 -0.89 0.41 0.00 0.00 173.24 174.17 3gtj s THR 1161N 1.04 4.11 -0.33 1.44 2.01 -1.26 -4.37 115.64 118.28 3gtj s THR 1161Ca 0.04 1.49 0.26 0.00 0.31 0.00 0.00 61.69 63.79 3gtj s THR 1161Cb -0.20 -3.71 0.35 0.00 0.01 0.00 0.00 72.50 68.95 3gtj s THR 1161CO -0.06 -0.11 1.71 0.58 -0.69 0.00 0.00 174.62 176.06 3gtj h VAL 1162N 2.12 0.00 -3.40 3.82 2.07 -1.92 -3.45 116.25 115.49 3gtj h VAL 1162Ca -0.48 -0.83 -0.55 0.00 0.82 0.00 0.00 66.70 65.66 3gtj h VAL 1162Cb 1.20 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 3gtj h VAL 1162CO 0.62 0.00 0.27 -0.63 0.02 0.00 0.00 177.57 177.85 3gtj s ILE 1163N -3.31 4.92 -0.49 4.57 1.01 -1.26 -4.97 121.20 121.66 3gtj s ILE 1163Ca 0.06 1.85 0.25 0.00 0.00 0.00 0.00 60.65 62.80 3gtj s ILE 1163Cb 0.07 -4.22 0.33 0.00 0.01 0.00 0.00 42.46 38.64 3gtj s ILE 1163CO 0.63 0.20 1.69 -0.65 0.00 0.00 0.00 174.94 176.80 3gtj h PRO 1164N 6.75 0.00 0.00 2.79 0.11 -2.03 -3.31 132.00 136.31 3gtj h PRO 1164Ca -0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 3gtj h PRO 1164Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gtj h PRO 1164CO 0.75 0.00 -0.13 0.93 -0.21 0.00 0.00 178.00 179.34 3gtj h GLU 1165N 0.00 0.00 -3.25 1.05 5.08 -1.99 -3.37 114.58 112.10 3gtj h GLU 1165Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 3gtj h GLU 1165Cb 0.87 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.73 3gtj h GLU 1165CO 0.00 0.13 -0.44 -0.51 -1.00 0.00 0.00 179.01 177.20 3gtj s ASP 1166N -6.02 5.08 -0.10 1.42 1.01 -1.25 -4.92 116.67 111.89 3gtj s ASP 1166Ca 0.01 -3.56 -0.02 0.00 0.71 0.00 0.00 52.55 49.70 3gtj s ASP 1166Cb 0.09 -1.73 -0.01 0.00 1.01 0.00 0.00 42.92 42.28 3gtj s ASP 1166CO 0.61 -0.17 -0.03 -0.08 0.21 0.00 0.00 175.17 175.71 3gtj h GLU 1167N 5.94 0.00 -4.46 8.23 4.81 -1.83 -3.44 114.58 123.83 3gtj h GLU 1167Ca 0.09 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.61 3gtj h GLU 1167Cb 0.82 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.89 3gtj h GLU 1167CO 0.75 0.00 -0.50 -1.83 -0.73 0.00 0.00 179.01 176.70 3gtj s GLU 1168N -1.66 2.37 0.00 1.92 -1.05 -1.26 -4.33 118.70 114.69 3gtj s GLU 1168Ca -0.03 -1.62 0.00 0.00 -0.15 0.00 0.00 54.97 53.18 3gtj s GLU 1168Cb 0.00 -3.69 0.00 0.00 -0.44 0.00 0.00 34.13 30.00 3gtj s GLU 1168CO 0.04 -1.01 0.00 -0.89 0.95 0.00 0.00 175.26 174.35 3gtj n ILE 1169N 4.79 0.00 -0.85 1.83 -0.00 -1.26 -4.41 119.36 119.46 3gtj n ILE 1169Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.68 3gtj n ILE 1169Cb 0.42 -0.04 0.00 0.00 -0.00 0.00 0.00 39.64 40.02 3gtj n ILE 1169CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 3gtj n ILE 1170N -1.58 0.00 0.00 1.39 2.08 -1.26 -3.35 119.36 116.64 3gtj n ILE 1170Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3gtj n ILE 1170Cb 0.00 -0.23 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 3gtj n ILE 1170CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 3gtj n GLN 1171N -2.85 0.00 0.00 0.38 0.00 -1.26 -4.73 117.38 108.92 3gtj n GLN 1171Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3gtj n GLN 1171Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3gtj n GLN 1171CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3gtj n LEU 1172N 0.00 0.00 -0.07 1.69 0.00 -1.26 -4.89 117.00 112.47 3gtj n LEU 1172Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 56.01 56.08 3gtj n LEU 1172Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 43.42 43.55 3gtj n LEU 1172CO 0.00 0.00 0.23 1.57 0.00 0.00 0.00 177.39 179.19 3gtj n HIS 1173N -0.29 0.25 -3.13 1.96 -0.00 -1.21 -4.68 115.22 108.11 3gtj n HIS 1173Ca 0.00 0.25 -0.14 0.00 0.46 0.00 0.00 57.72 58.29 3gtj n HIS 1173Cb 0.00 -0.72 0.07 0.00 -0.12 0.00 0.00 29.99 29.22 3gtj n HIS 1173CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3gtj n PHE 1174N -3.47 -1.88 0.64 1.57 3.72 -1.26 -4.92 117.46 111.85 3gtj n PHE 1174Ca 0.08 0.77 0.13 0.00 -0.05 0.00 0.00 57.45 58.38 3gtj n PHE 1174Cb 0.28 -4.39 0.42 0.00 -0.94 0.00 0.00 39.48 34.85 3gtj n PHE 1174CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3gtj n SER 1175N -2.82 0.76 -1.24 4.37 3.41 -1.26 -3.75 113.62 113.09 3gtj n SER 1175Ca -0.20 0.58 -0.02 0.00 -0.26 0.00 0.00 58.87 58.97 3gtj n SER 1175Cb 0.63 -0.78 0.01 0.00 -0.26 0.00 0.00 64.21 63.81 3gtj n SER 1175CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtj n LEU 1176N -2.22 4.01 -0.54 1.04 -0.00 -1.26 -3.69 117.00 114.34 3gtj n LEU 1176Ca 0.05 -1.94 0.10 0.00 -0.00 0.00 0.00 56.01 54.23 3gtj n LEU 1176Cb 0.41 -0.72 0.01 0.00 -0.00 0.00 0.00 43.42 43.12 3gtj n LEU 1176CO 0.30 0.71 0.35 -0.11 -0.00 0.00 0.00 177.39 178.63 3gtj n LEU 1177N 0.71 2.09 0.00 1.47 -0.00 -1.25 -4.78 117.00 115.25 3gtj n LEU 1177Ca 0.04 -0.80 0.00 0.00 -0.00 0.00 0.00 56.01 55.25 3gtj n LEU 1177Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 3gtj n LEU 1177CO 0.05 0.38 0.00 -0.90 -0.00 0.00 0.00 177.39 176.92 3gtj n ASP 1178N 0.18 0.00 0.00 1.96 5.75 -1.24 -5.26 116.55 117.93 3gtj n ASP 1178Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 3gtj n ASP 1178Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 3gtj n ASP 1178CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 3gtj n GLU 1179N -1.29 3.97 0.08 0.11 -0.00 -1.26 -5.26 120.64 116.99 3gtj n GLU 1179Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3gtj n GLU 1179Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3gtj n GLU 1179CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 3gtj n GLN 1187N 0.00 0.00 -0.19 3.44 -0.06 -1.26 -5.08 117.38 114.23 3gtj n GLN 1187Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3gtj n GLN 1187Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3gtj n GLN 1187CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 3gtj n GLN 1188N -2.90 0.00 -3.62 3.69 7.27 -1.26 -5.06 117.38 115.50 3gtj n GLN 1188Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.95 3gtj n GLN 1188Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 3gtj n GLN 1188CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3gtj s SER 1189N 1.48 -0.58 -0.14 1.69 0.15 -1.26 -4.71 113.70 110.33 3gtj s SER 1189Ca 0.00 1.07 -0.14 0.00 0.70 0.00 0.00 55.95 57.59 3gtj s SER 1189Cb 0.00 1.07 -0.11 0.00 -1.71 0.00 0.00 66.02 65.27 3gtj s SER 1189CO 0.00 -0.23 0.21 1.55 1.20 0.00 0.00 173.24 175.97 3gtj h PRO 1190N 4.36 0.00 -6.29 5.44 0.13 -1.86 -3.47 132.00 130.30 3gtj h PRO 1190Ca -0.28 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.29 3gtj h PRO 1190Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 3gtj h PRO 1190CO 0.11 0.45 -0.02 -1.58 -0.23 0.00 0.00 178.00 176.73 3gtj s TRP 1191N -2.02 3.77 0.22 1.56 0.52 -1.26 -3.94 118.94 117.78 3gtj s TRP 1191Ca -0.13 1.27 0.09 0.00 0.02 0.00 0.00 56.10 57.35 3gtj s TRP 1191Cb 0.01 -2.50 -0.04 0.00 -1.15 0.00 0.00 33.47 29.78 3gtj s TRP 1191CO 0.34 0.54 -0.08 -1.17 0.02 0.00 0.00 176.95 176.60 3gtj s LEU 1192N -1.33 2.99 -0.20 2.99 0.20 -0.71 -4.46 118.68 118.17 3gtj s LEU 1192Ca 0.32 -0.65 -0.04 0.00 0.69 0.00 0.00 54.13 54.45 3gtj s LEU 1192Cb -0.19 -1.61 0.07 0.00 -0.43 0.00 0.00 46.19 44.03 3gtj s LEU 1192CO 0.20 0.06 0.07 -0.22 -0.29 0.00 0.00 176.35 176.16 3gtj s LEU 1193N -3.17 0.89 0.51 -0.68 2.96 -1.02 -2.40 118.68 115.77 3gtj s LEU 1193Ca 0.27 -0.83 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 3gtj s LEU 1193Cb -0.08 -0.47 -0.02 0.00 0.50 0.00 0.00 46.19 46.13 3gtj s LEU 1193CO 0.17 -0.34 0.80 -0.60 -1.32 0.00 0.00 176.35 175.06 3gtj s ARG 1194N 1.96 3.31 -0.23 1.98 3.52 0.14 -2.99 118.95 126.64 3gtj s ARG 1194Ca 0.01 0.06 -0.03 0.00 -0.13 0.00 0.00 55.73 55.64 3gtj s ARG 1194Cb -0.17 -2.37 0.12 0.00 -1.56 0.00 0.00 34.95 30.98 3gtj s ARG 1194CO -0.11 -0.35 0.34 -0.51 -0.81 0.00 0.00 175.30 173.85 3gtj s LEU 1195N -4.79 -0.49 0.13 -0.88 1.43 -0.98 -2.71 118.68 110.38 3gtj s LEU 1195Ca 0.49 0.14 -0.25 0.00 -1.03 0.00 0.00 54.13 53.48 3gtj s LEU 1195Cb -0.10 0.93 -0.07 0.00 0.03 0.00 0.00 46.19 46.97 3gtj s LEU 1195CO 0.44 -0.30 0.77 -0.70 0.23 0.00 0.00 176.35 176.79 3gtj s GLU 1196N 2.49 4.53 0.16 1.70 2.12 -0.87 -2.10 118.70 126.73 3gtj s GLU 1196Ca 0.11 1.12 0.11 0.00 0.36 0.00 0.00 54.97 56.66 3gtj s GLU 1196Cb -0.15 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 3gtj s GLU 1196CO -0.15 0.48 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.33 3gtj s LEU 1197N -0.81 2.50 -0.41 2.70 1.43 -1.15 -2.11 118.68 120.84 3gtj s LEU 1197Ca 0.36 -0.75 -0.23 0.00 -1.03 0.00 0.00 54.13 52.49 3gtj s LEU 1197Cb -0.22 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.71 3gtj s LEU 1197CO 0.25 0.15 0.79 1.51 0.23 0.00 0.00 176.35 179.27 3gtj s ASP 1198N -2.41 6.48 0.37 2.29 -4.77 -1.24 -4.70 116.67 112.69 3gtj s ASP 1198Ca 0.19 0.12 0.16 0.00 -3.30 0.00 0.00 52.55 49.72 3gtj s ASP 1198Cb -0.09 -2.39 0.89 0.00 -1.09 0.00 0.00 42.92 40.23 3gtj s ASP 1198CO 0.09 -0.83 1.42 -0.09 0.70 0.00 0.00 175.17 176.47 3gtj h ARG 1199N 8.74 0.00 0.47 2.11 9.65 -1.95 -2.76 114.38 130.64 3gtj h ARG 1199Ca -0.25 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.61 3gtj h ARG 1199Cb 1.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 3gtj h ARG 1199CO 0.94 0.00 -0.23 0.00 2.80 0.00 0.00 179.97 183.48 3gtj h ALA 1200N 1.31 -0.71 -0.14 2.80 0.00 -2.01 -3.32 119.26 117.19 3gtj h ALA 1200Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gtj h ALA 1200Cb 0.54 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3gtj h ALA 1200CO 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 179.25 178.59 3gtj n ALA 1201N -2.63 2.69 1.15 0.00 0.00 -1.04 -2.57 120.51 118.11 3gtj n ALA 1201Ca -0.08 -0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.10 3gtj n ALA 1201Cb 0.25 -1.01 0.22 0.00 0.00 0.00 0.00 19.45 18.91 3gtj n ALA 1201CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3gtj n MET 1202N 0.09 1.08 -0.12 0.00 2.00 -1.24 -3.99 117.12 114.93 3gtj n MET 1202Ca 0.06 -0.77 -0.25 0.00 0.00 0.00 0.00 57.70 56.74 3gtj n MET 1202Cb 0.35 -1.48 -0.11 0.00 0.00 0.00 0.00 33.22 31.97 3gtj n MET 1202CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3gtj n ASN 1203N -0.28 1.97 0.05 7.83 4.13 -1.06 -4.31 115.26 123.58 3gtj n ASN 1203Ca 0.11 0.18 -0.02 0.00 1.68 0.00 0.00 54.58 56.53 3gtj n ASN 1203Cb 0.41 -0.70 -0.01 0.00 -1.54 0.00 0.00 39.78 37.93 3gtj n ASN 1203CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3gtj h ASP 1204N -0.61 -0.12 -3.26 6.41 5.19 -1.77 -3.42 116.42 118.84 3gtj h ASP 1204Ca -0.62 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.27 3gtj h ASP 1204Cb 1.71 0.03 0.02 0.00 0.18 0.00 0.00 39.33 41.27 3gtj h ASP 1204CO -0.27 -0.03 0.62 -0.54 -3.12 0.00 0.00 179.24 175.90 3gtj s LYS 1205N -2.32 4.41 -0.37 3.56 1.02 -1.26 -4.98 119.74 119.81 3gtj s LYS 1205Ca -0.02 1.92 -0.29 0.00 0.02 0.00 0.00 55.97 57.60 3gtj s LYS 1205Cb 0.00 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 3gtj s LYS 1205CO 0.06 -0.25 1.17 -0.51 -0.92 0.00 0.00 175.35 174.91 3gtj s ASP 1206N 0.67 6.74 -0.15 2.83 1.11 -1.26 -4.50 116.67 122.11 3gtj s ASP 1206Ca 0.58 0.90 -0.17 0.00 0.18 0.00 0.00 52.55 54.04 3gtj s ASP 1206Cb -0.33 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.16 3gtj s ASP 1206CO 0.33 -1.08 0.47 -0.76 1.18 0.00 0.00 175.17 175.31 3gtj s LEU 1207N 4.20 0.21 0.15 1.23 1.43 -1.26 -5.10 118.68 119.54 3gtj s LEU 1207Ca 0.50 0.84 0.11 0.00 -1.03 0.00 0.00 54.13 54.55 3gtj s LEU 1207Cb -0.12 1.64 -0.04 0.00 0.03 0.00 0.00 46.19 47.70 3gtj s LEU 1207CO 0.23 -0.22 -0.26 0.42 0.23 0.00 0.00 176.35 176.76 3gtj s THR 1208N -0.01 2.26 0.17 5.49 -4.23 -1.26 -4.93 115.64 113.13 3gtj s THR 1208Ca -0.02 -1.85 -0.19 0.00 -1.18 0.00 0.00 61.69 58.46 3gtj s THR 1208Cb -0.03 -2.02 0.11 0.00 1.34 0.00 0.00 72.50 71.90 3gtj s THR 1208CO 0.02 0.00 1.63 0.24 -0.54 0.00 0.00 174.62 175.97 3gtj h MET 1209N 3.65 -0.11 -0.02 3.99 0.00 -1.97 -2.62 114.93 117.85 3gtj h MET 1209Ca -0.49 0.01 0.01 0.00 0.00 0.00 0.00 59.70 59.23 3gtj h MET 1209Cb 1.18 0.02 -0.04 0.00 0.00 0.00 0.00 31.60 32.77 3gtj h MET 1209CO 0.42 -0.07 -0.36 0.78 0.00 0.00 0.00 176.91 177.68 3gtj h GLY 1210N -0.11 -1.23 -0.56 8.32 0.00 -1.97 -0.71 103.07 106.81 3gtj h GLY 1210Ca 0.21 0.65 0.35 0.00 0.00 0.00 0.00 47.33 48.54 3gtj h GLY 1210CO -0.50 -0.33 0.82 -1.61 0.00 0.00 0.00 176.54 174.92 3gtj h GLN 1211N -0.43 0.16 0.33 4.80 4.15 -1.95 0.66 115.11 122.83 3gtj h GLN 1211Ca 0.01 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3gtj h GLN 1211Cb 0.47 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3gtj h GLN 1211CO -0.25 0.11 -0.16 0.28 -1.93 0.00 0.00 178.83 176.88 3gtj h VAL 1212N 0.17 0.00 -0.89 2.39 2.07 -0.81 -2.99 116.25 116.18 3gtj h VAL 1212Ca 0.66 -0.15 0.24 0.00 0.82 0.00 0.00 66.70 68.28 3gtj h VAL 1212Cb 2.15 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.77 3gtj h VAL 1212CO -0.21 0.00 0.18 1.23 0.02 0.00 0.00 177.57 178.79 3gtj h GLY 1213N -0.59 1.33 0.88 2.17 0.00 0.32 -1.23 103.07 105.95 3gtj h GLY 1213Ca -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3gtj h GLY 1213CO 0.07 -0.41 -0.04 -2.09 0.00 0.00 0.00 176.54 174.07 3gtj h GLU 1214N 0.15 -0.11 0.00 4.80 4.57 -1.10 -1.39 114.58 121.50 3gtj h GLU 1214Ca 0.56 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.75 3gtj h GLU 1214Cb 1.15 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3gtj h GLU 1214CO -0.72 0.04 0.00 -0.09 -1.18 0.00 0.00 179.01 177.06 3gtj h ARG 1215N -0.23 0.00 0.29 1.92 9.65 -1.09 -0.15 114.38 124.77 3gtj h ARG 1215Ca -0.01 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3gtj h ARG 1215Cb 0.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 3gtj h ARG 1215CO 0.02 0.00 -0.14 0.82 2.80 0.00 0.00 179.97 183.47 3gtj h ILE 1216N 0.00 0.00 -0.57 1.20 2.04 -0.61 -3.26 117.51 116.32 3gtj h ILE 1216Ca 0.00 -0.44 0.09 0.00 1.00 0.00 0.00 64.86 65.51 3gtj h ILE 1216Cb 0.15 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.17 3gtj h ILE 1216CO 0.00 0.00 0.20 0.50 0.00 0.00 0.00 178.15 178.85 3gtj h LYS 1217N -0.82 0.36 0.00 2.37 3.64 -0.92 0.05 116.57 121.25 3gtj h LYS 1217Ca -0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3gtj h LYS 1217Cb 0.30 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3gtj h LYS 1217CO 0.06 0.24 0.31 1.96 -2.27 0.00 0.00 179.45 179.75 3gtj h GLN 1218N 0.37 0.00 0.05 1.90 4.20 -1.18 0.12 115.11 120.58 3gtj h GLN 1218Ca 0.28 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.78 3gtj h GLN 1218Cb 0.34 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3gtj h GLN 1218CO -0.29 0.00 -1.11 1.15 -0.67 0.00 0.00 178.83 177.91 3gtj h THR 1219N 0.00 1.13 0.03 -0.54 2.02 -1.01 -3.40 112.91 111.13 3gtj h THR 1219Ca 0.00 -2.31 -0.33 0.00 0.77 0.00 0.00 66.41 64.54 3gtj h THR 1219Cb 0.62 2.67 -0.05 0.00 -1.74 0.00 0.00 68.15 69.65 3gtj h THR 1219CO 0.00 0.56 -1.95 0.49 0.37 0.00 0.00 175.52 174.99 3gtj n PHE 1220N -4.22 0.81 -2.26 3.16 3.01 -0.90 -5.10 117.46 111.96 3gtj n PHE 1220Ca -0.25 0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3gtj n PHE 1220Cb 0.75 -1.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 3gtj n PHE 1220CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3gtj n LYS 1221N -3.10 0.00 -1.45 -1.08 5.02 0.37 -4.62 118.16 113.30 3gtj n LYS 1221Ca -0.25 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.65 3gtj n LYS 1221Cb 1.07 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 36.05 3gtj n LYS 1221CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gtj n ASN 1222N 1.00 8.48 -2.70 4.39 5.03 -1.26 -4.10 115.26 126.10 3gtj n ASN 1222Ca 0.00 -2.69 -0.06 0.00 0.87 0.00 0.00 54.58 52.71 3gtj n ASN 1222Cb 0.00 -1.53 0.10 0.00 -1.02 0.00 0.00 39.78 37.33 3gtj n ASN 1222CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3gtj n ASP 1223N 3.33 -0.76 0.00 6.41 3.85 -1.26 -4.86 116.55 123.26 3gtj n ASP 1223Ca 0.75 -2.43 0.00 0.00 -0.71 0.00 0.00 54.79 52.40 3gtj n ASP 1223Cb 0.24 0.47 0.00 0.00 -1.35 0.00 0.00 41.12 40.48 3gtj n ASP 1223CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gtj n LEU 1224N -0.67 0.00 -4.76 -2.12 -0.00 -1.26 -4.09 117.00 104.10 3gtj n LEU 1224Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 56.01 55.61 3gtj n LEU 1224Cb 0.84 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.28 3gtj n LEU 1224CO -0.01 0.00 0.91 0.12 -0.00 0.00 0.00 177.39 178.42 3gtj s PHE 1225N 0.00 2.60 -0.15 1.47 5.36 -1.17 -4.88 117.98 121.22 3gtj s PHE 1225Ca 0.00 1.45 -0.05 0.00 -0.96 0.00 0.00 56.93 57.37 3gtj s PHE 1225Cb 0.00 -3.60 0.07 0.00 -0.34 0.00 0.00 43.02 39.16 3gtj s PHE 1225CO 0.00 -2.19 0.30 0.08 -1.46 0.00 0.00 175.22 171.95 3gtj s VAL 1226N -1.41 -0.48 0.49 3.12 1.01 -1.26 -3.14 120.40 118.73 3gtj s VAL 1226Ca 0.67 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.94 3gtj s VAL 1226Cb -0.35 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.53 3gtj s VAL 1226CO 0.42 0.10 0.26 -0.63 0.00 0.00 0.00 175.10 175.25 3gtj s ILE 1227N 2.47 1.79 -0.11 2.22 1.01 -0.89 -4.99 121.20 122.71 3gtj s ILE 1227Ca 0.01 -1.64 -0.33 0.00 0.00 0.00 0.00 60.65 58.69 3gtj s ILE 1227Cb -0.12 -2.43 0.14 0.00 0.01 0.00 0.00 42.46 40.06 3gtj s ILE 1227CO -0.10 0.00 1.37 -1.66 0.00 0.00 0.00 174.94 174.55 3gtj s TRP 1228N -2.73 -0.03 0.01 3.97 -2.14 -1.26 -3.13 118.94 113.64 3gtj s TRP 1228Ca 0.31 -0.01 0.00 0.00 2.66 0.00 0.00 56.10 59.06 3gtj s TRP 1228Cb 0.00 0.52 0.00 0.00 -3.10 0.00 0.00 33.47 30.89 3gtj s TRP 1228CO 0.18 -0.11 0.01 0.43 -2.66 0.00 0.00 176.95 174.80 3gtj n SER 1229N -0.39 0.03 -4.71 -2.66 7.64 -1.20 -4.97 113.62 107.36 3gtj n SER 1229Ca -0.06 -1.02 -0.28 0.00 1.01 0.00 0.00 58.87 58.52 3gtj n SER 1229Cb 0.62 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.74 3gtj n SER 1229CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3gtj s GLU 1230N -2.12 2.59 0.42 1.43 2.12 -1.26 -4.82 118.70 117.06 3gtj s GLU 1230Ca 0.01 -0.96 0.14 0.00 0.36 0.00 0.00 54.97 54.53 3gtj s GLU 1230Cb -0.00 -2.50 1.02 0.00 0.26 0.00 0.00 34.13 32.91 3gtj s GLU 1230CO 0.01 0.49 1.94 -0.44 -0.54 0.00 0.00 175.26 176.71 3gtj h ASP 1231N 2.83 0.41 -0.80 -1.70 3.45 -2.00 -1.08 116.42 117.53 3gtj h ASP 1231Ca -0.47 0.02 0.12 0.00 0.43 0.00 0.00 57.03 57.13 3gtj h ASP 1231Cb 1.19 -0.07 -0.06 0.00 -0.56 0.00 0.00 39.33 39.84 3gtj h ASP 1231CO 0.60 0.23 0.52 0.78 -1.57 0.00 0.00 179.24 179.80 3gtj h ASN 1232N 0.44 0.57 -3.89 6.45 4.21 -2.01 -3.44 115.58 117.92 3gtj h ASN 1232Ca 0.34 0.02 -0.52 0.00 1.21 0.00 0.00 56.30 57.36 3gtj h ASN 1232Cb 0.72 -0.09 0.21 0.00 -1.12 0.00 0.00 38.32 38.04 3gtj h ASN 1232CO -0.11 0.32 -0.06 0.47 -1.29 0.00 0.00 177.43 176.75 3gtj n ASP 1233N -4.51 -0.59 0.05 5.81 9.92 -0.41 -4.97 116.55 121.84 3gtj n ASP 1233Ca 0.14 0.33 -0.11 0.00 -0.53 0.00 0.00 54.79 54.63 3gtj n ASP 1233Cb 0.42 -1.37 -0.13 0.00 -0.64 0.00 0.00 41.12 39.40 3gtj n ASP 1233CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 3gtj h GLU 1234N -1.87 0.10 -4.92 -1.24 4.81 -1.86 -3.45 114.58 106.15 3gtj h GLU 1234Ca -0.45 -0.18 -0.67 0.00 -0.13 0.00 0.00 59.36 57.93 3gtj h GLU 1234Cb 1.28 0.07 -0.32 0.00 0.63 0.00 0.00 28.75 30.40 3gtj h GLU 1234CO 0.40 0.95 -0.76 0.21 -0.73 0.00 0.00 179.01 179.08 3gtj s LYS 1235N -2.65 2.83 -0.16 1.92 2.20 -1.26 -5.03 119.74 117.59 3gtj s LYS 1235Ca -0.04 -0.98 -0.22 0.00 -0.36 0.00 0.00 55.97 54.37 3gtj s LYS 1235Cb 0.08 -2.95 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 3gtj s LYS 1235CO 0.84 -0.39 0.68 -0.51 -0.36 0.00 0.00 175.35 175.61 3gtj s LEU 1236N 1.31 4.19 0.02 5.43 1.43 -1.26 -4.89 118.68 124.92 3gtj s LEU 1236Ca 0.00 0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 53.93 3gtj s LEU 1236Cb -0.16 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 43.09 3gtj s LEU 1236CO -0.05 -0.25 0.32 -0.63 0.23 0.00 0.00 176.35 175.97 3gtj s ILE 1237N 1.65 0.07 0.04 -0.59 1.01 -1.26 -2.91 121.20 119.21 3gtj s ILE 1237Ca 0.32 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.48 3gtj s ILE 1237Cb -0.16 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 3gtj s ILE 1237CO 0.12 -0.31 -0.21 -0.63 0.00 0.00 0.00 174.94 173.91 3gtj s ILE 1238N -1.99 1.71 -0.01 2.92 -1.09 -0.89 -3.22 121.20 118.63 3gtj s ILE 1238Ca -0.09 -1.22 0.02 0.00 -2.23 0.00 0.00 60.65 57.13 3gtj s ILE 1238Cb -0.03 -1.49 0.00 0.00 -1.58 0.00 0.00 42.46 39.37 3gtj s ILE 1238CO 0.00 0.22 -0.05 -0.13 -1.23 0.00 0.00 174.94 173.75 3gtj s ARG 1239N -1.19 0.51 0.04 2.79 0.52 -1.18 -2.32 118.95 118.11 3gtj s ARG 1239Ca 0.08 -0.17 -0.02 0.00 -0.52 0.00 0.00 55.73 55.10 3gtj s ARG 1239Cb -0.09 -0.51 -0.02 0.00 0.52 0.00 0.00 34.95 34.85 3gtj s ARG 1239CO 0.02 0.07 0.01 0.00 0.02 0.00 0.00 175.30 175.43 3gtj s ARG 1241N -2.85 0.47 0.60 0.00 0.52 -1.19 -2.42 118.95 114.08 3gtj s ARG 1241Ca -0.03 1.12 -0.18 0.00 -0.52 0.00 0.00 55.73 56.12 3gtj s ARG 1241Cb 0.00 0.47 -0.06 0.00 0.52 0.00 0.00 34.95 35.89 3gtj s ARG 1241CO -0.06 -0.36 0.86 1.55 0.02 0.00 0.00 175.30 177.31 3gtj n VAL 1242N 5.42 3.40 -3.63 3.52 3.14 -1.26 -3.02 118.33 125.90 3gtj n VAL 1242Ca -0.08 -0.50 -0.12 0.00 -2.96 0.00 0.00 64.34 60.69 3gtj n VAL 1242Cb 0.50 -1.03 -0.07 0.00 -1.06 0.00 0.00 33.84 32.17 3gtj n VAL 1242CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3gtj s VAL 1243N -1.57 0.00 -0.47 1.55 1.01 -1.26 -4.47 120.40 115.20 3gtj s VAL 1243Ca 0.75 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.79 3gtj s VAL 1243Cb -0.42 -1.00 0.29 0.00 0.00 0.00 0.00 36.38 35.25 3gtj s VAL 1243CO 0.48 0.00 1.02 -1.14 0.00 0.00 0.00 175.10 175.47 3gtj n ARG 1244N 2.52 0.92 -1.73 2.72 3.00 -1.26 -4.38 116.66 118.45 3gtj n ARG 1244Ca -0.13 -1.86 -0.42 0.00 -0.00 0.00 0.00 57.85 55.43 3gtj n ARG 1244Cb 0.55 -1.22 -0.03 0.00 0.00 0.00 0.00 32.46 31.77 3gtj n ARG 1244CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3gtj s PRO 1245N 0.43 3.85 2.77 -0.14 0.02 -1.26 -5.04 135.00 135.62 3gtj s PRO 1245Ca 0.26 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3gtj s PRO 1245Cb 0.27 -4.19 0.00 0.00 0.02 0.00 0.00 34.50 30.59 3gtj s PRO 1245CO -0.13 -1.28 0.00 0.36 -0.33 0.00 0.00 177.00 175.62 3gtj n LYS 1246N 7.84 0.00 -1.13 5.54 -0.00 -1.26 -5.20 118.16 123.95 3gtj n LYS 1246Ca 0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.45 3gtj n LYS 1246Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.42 3gtj n LYS 1246CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3gtj n GLU 1253N 0.00 -1.36 0.00 -1.58 2.13 -1.26 -5.20 120.64 113.37 3gtj n GLU 1253Ca 0.00 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.33 3gtj n GLU 1253Cb 0.00 -4.55 0.00 0.00 0.27 0.00 0.00 31.44 27.16 3gtj n GLU 1253CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gtj n ALA 1254N 0.16 0.00 -1.10 4.31 0.00 -1.26 -4.48 120.51 118.15 3gtj n ALA 1254Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 3gtj n ALA 1254Cb 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 3gtj n ALA 1254CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3gtj n GLU 1255N 0.00 -1.28 -1.94 0.00 0.28 -1.26 -4.79 120.64 111.65 3gtj n GLU 1255Ca 0.00 0.41 -0.42 0.00 -0.16 0.00 0.00 57.16 56.99 3gtj n GLU 1255Cb 0.00 -4.43 -0.03 0.00 1.43 0.00 0.00 31.44 28.42 3gtj n GLU 1255CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3gtj s GLU 1256N -2.38 3.20 0.00 3.44 2.02 -1.26 -3.56 118.70 120.16 3gtj s GLU 1256Ca 0.00 1.43 0.00 0.00 0.02 0.00 0.00 54.97 56.42 3gtj s GLU 1256Cb 0.00 -4.25 0.00 0.00 0.10 0.00 0.00 34.13 29.98 3gtj s GLU 1256CO 0.00 -2.02 0.00 -3.47 0.02 0.00 0.00 175.26 169.79 3gtj n ASP 1257N 10.89 0.00 0.21 -0.19 4.64 -1.26 -5.00 116.55 125.84 3gtj n ASP 1257Ca 0.24 0.00 -0.15 0.00 -1.38 0.00 0.00 54.79 53.50 3gtj n ASP 1257Cb 0.47 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.48 3gtj n ASP 1257CO 0.00 0.00 0.00 0.45 -0.82 0.00 0.00 177.20 176.83 3gtj h HIS 1258N 0.00 -0.86 -0.52 -0.67 3.86 -1.97 -2.86 115.15 112.13 3gtj h HIS 1258Ca 0.00 0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 3gtj h HIS 1258Cb 0.00 0.33 -0.08 0.00 1.06 0.00 0.00 27.41 28.72 3gtj h HIS 1258CO 0.00 -0.46 0.04 0.52 0.86 0.00 0.00 177.93 178.89 3gtj h MET 1259N -0.68 0.16 -1.25 2.45 2.86 -1.95 0.17 114.93 116.69 3gtj h MET 1259Ca -0.02 -0.01 0.36 0.00 -2.06 0.00 0.00 59.70 57.98 3gtj h MET 1259Cb 0.61 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 3gtj h MET 1259CO -0.06 0.10 1.14 1.25 1.06 0.00 0.00 176.91 180.41 3gtj h LEU 1260N 0.16 0.00 -0.37 1.22 7.12 -1.89 2.40 115.31 123.94 3gtj h LEU 1260Ca 0.27 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 58.09 3gtj h LEU 1260Cb 0.40 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.52 3gtj h LEU 1260CO -0.40 0.00 -0.64 0.50 -0.13 0.00 0.00 178.44 177.77 3gtj h LYS 1261N 0.00 0.64 0.00 1.25 3.64 -0.93 -3.14 116.57 118.04 3gtj h LYS 1261Ca 0.60 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3gtj h LYS 1261Cb 2.88 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 34.77 3gtj h LYS 1261CO -0.01 1.08 0.00 1.63 -2.27 0.00 0.00 179.45 179.88 3gtj n LYS 1262N -3.94 0.89 -0.08 1.90 5.02 0.80 -1.39 118.16 121.37 3gtj n LYS 1262Ca -0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.03 3gtj n LYS 1262Cb 0.66 -1.27 -0.12 0.00 -0.02 0.00 0.00 35.03 34.28 3gtj n LYS 1262CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gtj n ILE 1263N -0.77 1.61 0.32 -0.18 5.41 -0.94 -3.32 119.36 121.49 3gtj n ILE 1263Ca 0.11 -0.50 0.16 0.00 1.00 0.00 0.00 62.75 63.52 3gtj n ILE 1263Cb 0.05 -1.69 0.64 0.00 -0.71 0.00 0.00 39.64 37.93 3gtj n ILE 1263CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 3gtj h GLU 1264N -0.25 0.00 0.00 0.38 -0.00 -1.44 0.58 114.58 113.84 3gtj h GLU 1264Ca -0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.85 3gtj h GLU 1264Cb 1.83 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.58 3gtj h GLU 1264CO -0.09 0.00 -0.00 -0.97 -0.00 0.00 0.00 179.01 177.95 3gtj h ASN 1265N 0.00 -0.00 -0.81 3.06 -1.24 -1.40 -3.23 115.58 111.96 3gtj h ASN 1265Ca 0.00 -0.87 0.05 0.00 0.71 0.00 0.00 56.30 56.19 3gtj h ASN 1265Cb 0.45 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.45 3gtj h ASN 1265CO 0.00 0.93 0.53 0.74 -1.29 0.00 0.00 177.43 178.34 3gtj h THR 1266N -0.99 1.09 -0.24 -3.57 2.02 -1.50 -2.59 112.91 107.13 3gtj h THR 1266Ca -0.00 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 66.92 3gtj h THR 1266Cb 0.87 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3gtj h THR 1266CO 0.00 0.17 0.18 0.24 0.37 0.00 0.00 175.52 176.49 3gtj h MET 1267N 0.96 0.00 0.00 6.66 2.86 0.06 -3.30 114.93 122.16 3gtj h MET 1267Ca 0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 3gtj h MET 1267Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3gtj h MET 1267CO -0.11 0.00 -0.10 1.28 1.06 0.00 0.00 176.91 179.04 3gtj n LEU 1268N -4.31 0.30 -4.41 1.22 4.77 -0.99 -4.41 117.00 109.17 3gtj n LEU 1268Ca 0.03 0.25 -0.45 0.00 -0.03 0.00 0.00 56.01 55.81 3gtj n LEU 1268Cb 0.33 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3gtj n LEU 1268CO 0.34 -0.49 0.96 -1.61 -1.33 0.00 0.00 177.39 175.26 3gtj s GLU 1269N -1.23 3.89 0.00 3.23 2.02 -1.14 -3.58 118.70 121.90 3gtj s GLU 1269Ca -0.03 -2.49 0.00 0.00 0.02 0.00 0.00 54.97 52.47 3gtj s GLU 1269Cb 0.00 -4.79 0.00 0.00 0.10 0.00 0.00 34.13 29.45 3gtj s GLU 1269CO 0.04 -1.56 0.00 0.09 0.02 0.00 0.00 175.26 173.86 3gtj n ASN 1270N 4.88 0.00 -4.24 -0.19 3.02 -1.24 -4.76 115.26 112.73 3gtj n ASN 1270Ca 0.26 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.45 3gtj n ASN 1270Cb 0.44 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.48 3gtj n ASN 1270CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gtj s ILE 1271N 0.00 3.44 0.18 2.41 -1.09 -1.25 -5.01 121.20 119.88 3gtj s ILE 1271Ca 0.00 -1.11 -0.18 0.00 -2.23 0.00 0.00 60.65 57.13 3gtj s ILE 1271Cb 0.00 -2.89 -0.08 0.00 -1.58 0.00 0.00 42.46 37.91 3gtj s ILE 1271CO 0.00 -0.05 0.65 -0.89 -1.23 0.00 0.00 174.94 173.42 3gtj s THR 1272N 1.36 4.67 -0.08 2.92 2.01 -1.26 -2.67 115.64 122.59 3gtj s THR 1272Ca -0.02 1.15 0.06 0.00 0.31 0.00 0.00 61.69 63.19 3gtj s THR 1272Cb -0.19 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 3gtj s THR 1272CO 0.00 0.27 0.00 0.18 -0.69 0.00 0.00 174.62 174.38 3gtj n LEU 1273N 0.88 0.63 -3.65 4.42 4.32 -0.66 -4.92 117.00 118.02 3gtj n LEU 1273Ca -0.04 -0.01 -0.04 0.00 -0.02 0.00 0.00 56.01 55.90 3gtj n LEU 1273Cb 0.51 0.08 -0.07 0.00 -1.62 0.00 0.00 43.42 42.32 3gtj n LEU 1273CO 0.43 0.29 1.07 0.00 -1.22 0.00 0.00 177.39 177.95 3gtj s ARG 1274N -2.19 0.15 0.00 3.23 1.70 -1.26 -5.02 118.95 115.57 3gtj s ARG 1274Ca -0.06 0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 3gtj s ARG 1274Cb 0.02 0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 3gtj s ARG 1274CO 0.29 -0.02 0.00 0.41 -1.08 0.00 0.00 175.30 174.91 3gtj n GLY 1275N 1.78 0.50 3.84 3.88 0.00 -1.25 -3.26 105.19 110.68 3gtj n GLY 1275Ca -0.11 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 3gtj n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtj s VAL 1276N -1.28 5.47 1.01 1.61 1.01 -0.40 -4.86 120.40 122.96 3gtj s VAL 1276Ca 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.05 3gtj s VAL 1276Cb 0.00 -3.41 0.12 0.00 0.00 0.00 0.00 36.38 33.09 3gtj s VAL 1276CO 0.00 0.58 0.61 -1.84 0.00 0.00 0.00 175.10 174.45 3gtj n GLU 1277N 2.33 -0.92 0.00 2.72 0.28 -1.26 -3.39 120.64 120.39 3gtj n GLU 1277Ca -0.19 -0.23 0.00 0.00 -0.16 0.00 0.00 57.16 56.58 3gtj n GLU 1277Cb 0.54 -2.01 0.00 0.00 1.43 0.00 0.00 31.44 31.41 3gtj n GLU 1277CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3gtj n ASN 1278N -2.69 0.00 -4.81 -1.84 3.02 -1.26 -4.70 115.26 102.98 3gtj n ASN 1278Ca 0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 3gtj n ASN 1278Cb 0.55 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.42 3gtj n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gtj s ILE 1279N -1.33 5.12 0.00 2.41 1.09 -1.22 -3.97 121.20 123.30 3gtj s ILE 1279Ca 0.00 0.77 0.00 0.00 -1.10 0.00 0.00 60.65 60.32 3gtj s ILE 1279Cb 0.00 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.71 3gtj s ILE 1279CO 0.00 0.53 0.00 -0.62 -0.10 0.00 0.00 174.94 174.75 3gtj n GLU 1280N 2.29 2.98 -1.71 2.79 4.71 -0.80 -3.15 120.64 127.76 3gtj n GLU 1280Ca -0.13 0.00 -0.61 0.00 -0.01 0.00 0.00 57.16 56.41 3gtj n GLU 1280Cb 0.52 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.87 3gtj n GLU 1280CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 3gtj n ARG 1281N 0.00 0.67 -4.16 3.49 1.85 -1.26 -4.57 116.66 112.68 3gtj n ARG 1281Ca 0.00 0.25 -0.34 0.00 -1.00 0.00 0.00 57.85 56.75 3gtj n ARG 1281Cb 0.00 -1.85 -0.14 0.00 -1.05 0.00 0.00 32.46 29.42 3gtj n ARG 1281CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3gtj s VAL 1282N 3.00 3.04 -0.10 8.89 1.01 -1.26 -3.56 120.40 131.42 3gtj s VAL 1282Ca 1.00 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 3gtj s VAL 1282Cb -1.23 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3gtj s VAL 1282CO 0.70 0.47 0.04 -0.69 0.00 0.00 0.00 175.10 175.62 3gtj s VAL 1283N 1.17 4.65 -1.21 2.92 1.01 0.54 -4.92 120.40 124.56 3gtj s VAL 1283Ca 0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 3gtj s VAL 1283Cb -0.14 -2.98 0.20 0.00 0.00 0.00 0.00 36.38 33.46 3gtj s VAL 1283CO -0.03 0.61 2.06 0.23 0.00 0.00 0.00 175.10 177.97 3gtj n MET 1284N 2.11 4.65 -3.10 2.72 2.81 -1.26 -1.75 117.12 123.30 3gtj n MET 1284Ca -0.19 -3.90 -0.36 0.00 -1.81 0.00 0.00 57.70 51.43 3gtj n MET 1284Cb 0.54 -2.62 -0.06 0.00 -0.71 0.00 0.00 33.22 30.36 3gtj n MET 1284CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 3gtj s MET 1285N -1.90 4.26 -0.56 0.03 0.00 -0.35 -4.84 119.30 115.94 3gtj s MET 1285Ca 0.45 0.88 -0.10 0.00 0.00 0.00 0.00 55.69 56.92 3gtj s MET 1285Cb 0.16 -2.91 0.14 0.00 0.00 0.00 0.00 34.83 32.22 3gtj s MET 1285CO -0.07 0.41 0.45 0.21 0.00 0.00 0.00 175.02 176.02 3gtj s LYS 1286N -1.91 2.75 0.37 4.11 2.20 -1.26 0.25 119.74 126.25 3gtj s LYS 1286Ca 0.42 -1.95 -0.19 0.00 -0.36 0.00 0.00 55.97 53.89 3gtj s LYS 1286Cb -0.17 -4.05 -0.10 0.00 -1.51 0.00 0.00 37.83 32.00 3gtj s LYS 1286CO 0.21 -1.23 0.86 0.71 -0.36 0.00 0.00 175.35 175.54 3gtj s TYR 1287N 1.06 3.39 0.67 4.03 2.02 -0.49 -4.89 117.35 123.14 3gtj s TYR 1287Ca 0.08 1.47 -0.05 0.00 -0.37 0.00 0.00 57.07 58.21 3gtj s TYR 1287Cb -0.24 -2.73 0.05 0.00 -0.40 0.00 0.00 41.96 38.65 3gtj s TYR 1287CO -0.02 0.02 0.96 -0.51 -1.57 0.00 0.00 175.55 174.44 3gtj s ASP 1288N -2.13 4.94 -0.20 2.29 1.01 -1.26 -1.04 116.67 120.28 3gtj s ASP 1288Ca 0.57 0.37 -0.28 0.00 0.71 0.00 0.00 52.55 53.92 3gtj s ASP 1288Cb -0.11 -1.08 0.11 0.00 1.01 0.00 0.00 42.92 42.86 3gtj s ASP 1288CO 0.16 -1.48 0.95 -0.60 0.21 0.00 0.00 175.17 174.40 3gtj s ARG 1289N -5.14 0.64 -0.16 8.23 3.52 -1.06 -4.88 118.95 120.11 3gtj s ARG 1289Ca 0.59 0.40 -0.14 0.00 -0.13 0.00 0.00 55.73 56.46 3gtj s ARG 1289Cb -0.11 0.31 -0.05 0.00 -1.56 0.00 0.00 34.95 33.54 3gtj s ARG 1289CO 0.43 -0.15 0.29 0.15 -0.81 0.00 0.00 175.30 175.22 3gtj s LYS 1290N -0.48 4.24 -0.00 5.12 1.02 -1.26 -1.41 119.74 126.97 3gtj s LYS 1290Ca -0.01 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.07 3gtj s LYS 1290Cb -0.03 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 3gtj s LYS 1290CO -0.00 0.25 -0.00 0.08 -0.92 0.00 0.00 175.35 174.75 3gtj s VAL 1291N 0.43 0.04 0.15 3.17 1.01 -0.82 -4.91 120.40 119.46 3gtj s VAL 1291Ca 0.16 -0.01 -0.34 0.00 0.00 0.00 0.00 61.98 61.80 3gtj s VAL 1291Cb -0.13 -0.05 -0.13 0.00 0.00 0.00 0.00 36.38 36.07 3gtj s VAL 1291CO 0.04 0.02 1.62 -2.65 0.00 0.00 0.00 175.10 174.13 3gtj n PRO 1292N 3.15 2.23 -3.44 2.72 -0.02 -1.26 -2.69 135.00 135.69 3gtj n PRO 1292Ca -0.13 0.81 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 3gtj n PRO 1292Cb 0.59 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.42 3gtj n PRO 1292CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gtj s SER 1293N 1.23 6.80 0.51 2.55 0.15 -0.81 -4.92 113.70 119.22 3gtj s SER 1293Ca 0.80 0.95 0.41 0.00 0.70 0.00 0.00 55.95 58.81 3gtj s SER 1293Cb -0.66 -2.27 1.59 0.00 -1.71 0.00 0.00 66.02 62.98 3gtj s SER 1293CO 0.38 0.25 1.62 -0.65 1.20 0.00 0.00 173.24 176.04 3gtj h PRO 1294N 5.14 0.03 0.00 5.44 0.11 -1.95 0.62 132.00 141.39 3gtj h PRO 1294Ca -0.49 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3gtj h PRO 1294Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3gtj h PRO 1294CO 0.65 0.02 -0.40 1.79 -0.21 0.00 0.00 178.00 179.85 3gtj h THR 1295N 0.03 0.76 0.00 -1.15 1.35 -2.02 -3.48 112.91 108.40 3gtj h THR 1295Ca 0.85 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3gtj h THR 1295Cb 3.11 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 71.73 3gtj h THR 1295CO -0.18 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 3gtj n GLY 1296N 0.85 4.31 3.54 5.82 0.00 0.21 -3.12 105.19 116.79 3gtj n GLY 1296Ca 0.01 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 3gtj n GLY 1296CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gtj s GLU 1297N 0.00 -0.43 -1.20 1.61 8.01 -1.26 -4.38 118.70 121.05 3gtj s GLU 1297Ca 0.00 1.05 -0.05 0.00 0.01 0.00 0.00 54.97 55.98 3gtj s GLU 1297Cb 0.00 -1.59 0.21 0.00 -4.31 0.00 0.00 34.13 28.44 3gtj s GLU 1297CO 0.00 -3.46 1.98 0.66 0.01 0.00 0.00 175.26 174.45 3gtj n TYR 1298N -4.76 2.64 -1.42 1.61 4.02 -1.26 -1.92 117.16 116.07 3gtj n TYR 1298Ca 0.05 -2.70 -0.40 0.00 -0.01 0.00 0.00 57.90 54.84 3gtj n TYR 1298Cb 0.54 -1.60 0.02 0.00 -0.02 0.00 0.00 39.34 38.28 3gtj n TYR 1298CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3gtj n VAL 1299N 1.53 1.66 -3.20 -0.72 0.31 -1.10 -4.47 118.33 112.35 3gtj n VAL 1299Ca 0.47 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 3gtj n VAL 1299Cb 0.29 -0.50 -0.07 0.00 -0.91 0.00 0.00 33.84 32.64 3gtj n VAL 1299CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3gtj s LYS 1300N -1.68 3.50 -0.26 5.55 1.02 -1.26 -1.94 119.74 124.67 3gtj s LYS 1300Ca 0.64 -0.23 -0.10 0.00 0.02 0.00 0.00 55.97 56.30 3gtj s LYS 1300Cb -0.52 -3.86 -0.05 0.00 -0.52 0.00 0.00 37.83 32.88 3gtj s LYS 1300CO 0.58 -0.77 0.16 -2.00 -0.92 0.00 0.00 175.35 172.40 3gtj s GLU 1301N 2.52 3.97 0.16 1.68 2.12 -0.50 -4.96 118.70 123.70 3gtj s GLU 1301Ca 0.20 -0.32 -0.23 0.00 0.36 0.00 0.00 54.97 54.99 3gtj s GLU 1301Cb -0.15 -3.56 -0.08 0.00 0.26 0.00 0.00 34.13 30.60 3gtj s GLU 1301CO 0.15 -0.07 0.73 -1.25 -0.54 0.00 0.00 175.26 174.28 3gtj s PRO 1302N 1.41 4.42 0.02 4.30 0.05 -1.26 -2.56 135.00 141.38 3gtj s PRO 1302Ca 0.07 1.01 0.00 0.00 0.05 0.00 0.00 61.00 62.13 3gtj s PRO 1302Cb -0.15 -3.16 -0.02 0.00 0.05 0.00 0.00 34.50 31.22 3gtj s PRO 1302CO 0.07 0.54 -0.04 -1.83 0.05 0.00 0.00 177.00 175.80 3gtj s GLU 1303N -1.35 0.34 0.01 4.56 -1.05 -0.21 -4.64 118.70 116.36 3gtj s GLU 1303Ca 0.36 -0.63 -0.28 0.00 -0.15 0.00 0.00 54.97 54.28 3gtj s GLU 1303Cb -0.21 0.05 -0.04 0.00 -0.44 0.00 0.00 34.13 33.49 3gtj s GLU 1303CO 0.24 -0.03 0.88 -1.58 0.95 0.00 0.00 175.26 175.71 3gtj s TRP 1304N -1.43 3.68 -0.01 4.83 0.52 -1.23 -1.40 118.94 123.89 3gtj s TRP 1304Ca -0.15 1.57 0.02 0.00 0.02 0.00 0.00 56.10 57.56 3gtj s TRP 1304Cb -0.10 -2.99 -0.00 0.00 -1.15 0.00 0.00 33.47 29.23 3gtj s TRP 1304CO -0.01 0.09 -0.05 0.08 0.02 0.00 0.00 176.95 177.08 3gtj s VAL 1305N 0.62 0.45 -0.17 4.03 1.01 0.14 -4.38 120.40 122.10 3gtj s VAL 1305Ca 0.46 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 3gtj s VAL 1305Cb -0.21 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 3gtj s VAL 1305CO 0.25 0.14 0.21 -0.76 0.00 0.00 0.00 175.10 174.94 3gtj s LEU 1306N 0.03 4.24 -0.04 3.92 1.43 -1.00 -1.21 118.68 126.05 3gtj s LEU 1306Ca 0.00 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 3gtj s LEU 1306Cb -0.04 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 3gtj s LEU 1306CO -0.00 0.16 -0.18 -1.61 0.23 0.00 0.00 176.35 174.95 3gtj s GLU 1307N 0.29 2.37 0.05 1.70 2.02 -0.71 -1.88 118.70 122.53 3gtj s GLU 1307Ca 0.13 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.34 3gtj s GLU 1307Cb -0.12 -2.27 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 3gtj s GLU 1307CO 0.01 0.60 -0.04 0.99 0.02 0.00 0.00 175.26 176.85 3gtj s THR 1308N -0.71 0.29 -0.29 3.63 2.01 -0.79 -0.34 115.64 119.45 3gtj s THR 1308Ca 0.11 -1.46 -0.10 0.00 0.31 0.00 0.00 61.69 60.56 3gtj s THR 1308Cb -0.10 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 3gtj s THR 1308CO 0.00 -0.75 0.15 -1.81 -0.69 0.00 0.00 174.62 171.52 3gtj s ASP 1309N -2.31 5.58 0.00 3.53 1.11 -1.23 -3.46 116.67 119.88 3gtj s ASP 1309Ca -0.02 -0.33 0.00 0.00 0.18 0.00 0.00 52.55 52.39 3gtj s ASP 1309Cb -0.00 -2.02 0.00 0.00 1.07 0.00 0.00 42.92 41.97 3gtj s ASP 1309CO -0.05 -0.13 0.00 0.61 1.18 0.00 0.00 175.17 176.78 3gtj n GLY 1310N 4.99 1.79 2.66 0.21 0.00 -1.04 -1.90 105.19 111.90 3gtj n GLY 1310Ca -0.14 -2.01 -0.22 0.00 0.00 0.00 0.00 46.02 43.65 3gtj n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtj s VAL 1311N -2.21 -0.12 -0.36 1.61 1.01 -1.25 -3.69 120.40 115.39 3gtj s VAL 1311Ca 0.00 0.20 0.15 0.00 0.00 0.00 0.00 61.98 62.33 3gtj s VAL 1311Cb 0.00 -0.32 0.42 0.00 0.00 0.00 0.00 36.38 36.48 3gtj s VAL 1311CO 0.00 0.00 0.91 -3.20 0.00 0.00 0.00 175.10 172.81 3gtj n ASN 1312N 5.30 1.70 -0.35 3.32 4.05 -1.26 -4.97 115.26 123.04 3gtj n ASN 1312Ca -0.05 -2.92 0.32 0.00 0.45 0.00 0.00 54.58 52.38 3gtj n ASN 1312Cb 0.50 -0.55 0.55 0.00 1.23 0.00 0.00 39.78 41.51 3gtj n ASN 1312CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 3gtj n LEU 1313N -0.02 0.23 -0.33 1.20 7.94 -1.26 -1.28 117.00 123.48 3gtj n LEU 1313Ca 0.17 1.29 0.07 0.00 -1.11 0.00 0.00 56.01 56.42 3gtj n LEU 1313Cb 0.74 -0.63 0.15 0.00 0.53 0.00 0.00 43.42 44.21 3gtj n LEU 1313CO 0.26 -1.42 0.62 -1.20 -1.11 0.00 0.00 177.39 174.55 3gtj n SER 1314N -4.64 -0.30 -0.12 1.96 7.64 -1.26 -2.96 113.62 113.95 3gtj n SER 1314Ca 0.34 1.57 0.06 0.00 1.01 0.00 0.00 58.87 61.85 3gtj n SER 1314Cb 1.25 -0.49 0.08 0.00 -1.01 0.00 0.00 64.21 64.04 3gtj n SER 1314CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gtj n GLU 1315N -5.47 1.38 -0.10 1.43 -0.58 -0.41 -4.72 120.64 112.18 3gtj n GLU 1315Ca 0.16 -1.99 -0.23 0.00 -0.42 0.00 0.00 57.16 54.67 3gtj n GLU 1315Cb 0.49 -1.18 -0.12 0.00 -0.57 0.00 0.00 31.44 30.06 3gtj n GLU 1315CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3gtj n VAL 1316N -0.94 1.58 0.30 2.62 0.31 -1.16 -4.46 118.33 116.58 3gtj n VAL 1316Ca 0.09 -0.40 0.19 0.00 -0.01 0.00 0.00 64.34 64.21 3gtj n VAL 1316Cb 0.56 -1.78 0.89 0.00 -0.91 0.00 0.00 33.84 32.60 3gtj n VAL 1316CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gtj h MET 1317N -0.53 0.00 0.00 5.55 -0.00 -1.85 -2.78 114.93 115.32 3gtj h MET 1317Ca -0.53 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.17 3gtj h MET 1317Cb 1.70 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.30 3gtj h MET 1317CO -0.19 0.02 0.00 0.25 -0.00 0.00 0.00 176.91 177.00 3gtj n THR 1318N -3.18 0.69 -2.02 -0.10 -2.24 -1.26 -4.70 114.28 101.46 3gtj n THR 1318Ca -0.01 0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.53 3gtj n THR 1318Cb 0.21 -0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 67.55 3gtj n THR 1318CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gtj s VAL 1319N -2.88 2.63 0.27 2.28 1.01 -1.05 -5.02 120.40 117.65 3gtj s VAL 1319Ca 0.11 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 3gtj s VAL 1319Cb 0.12 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 3gtj s VAL 1319CO 0.31 0.10 1.03 -2.84 0.00 0.00 0.00 175.10 173.70 3gtj s PRO 1320N -0.69 4.69 0.00 2.72 0.02 -1.26 -3.86 135.00 136.62 3gtj s PRO 1320Ca 0.57 1.66 0.00 0.00 0.02 0.00 0.00 61.00 63.25 3gtj s PRO 1320Cb -0.42 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 30.94 3gtj s PRO 1320CO 0.46 0.30 0.00 0.41 -0.33 0.00 0.00 177.00 177.84 3gtj n GLY 1321N 1.22 2.17 3.81 0.52 0.00 -1.26 -5.02 105.19 106.63 3gtj n GLY 1321Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3gtj n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gtj s ILE 1322N -2.10 2.48 -0.47 -0.61 -0.00 -1.25 -2.62 121.20 116.63 3gtj s ILE 1322Ca 0.00 -1.51 -0.16 0.00 -0.00 0.00 0.00 60.65 58.98 3gtj s ILE 1322Cb 0.00 -2.99 0.06 0.00 -0.00 0.00 0.00 42.46 39.53 3gtj s ILE 1322CO 0.00 0.00 0.43 -0.62 -0.00 0.00 0.00 174.94 174.75 3gtj s ASP 1323N -4.03 6.16 -0.21 4.36 2.15 0.53 -4.45 116.67 121.18 3gtj s ASP 1323Ca 0.45 -1.15 0.02 0.00 0.43 0.00 0.00 52.55 52.30 3gtj s ASP 1323Cb 0.00 -2.20 0.31 0.00 -0.30 0.00 0.00 42.92 40.73 3gtj s ASP 1323CO 0.25 -0.66 1.44 -0.81 -0.17 0.00 0.00 175.17 175.22 3gtj n PRO 1324N 5.40 1.59 0.00 4.34 -0.05 -1.26 -2.80 135.00 142.22 3gtj n PRO 1324Ca -0.11 -1.40 0.00 0.00 -0.05 0.00 0.00 63.50 61.94 3gtj n PRO 1324Cb 0.45 -1.55 0.00 0.00 -0.05 0.00 0.00 33.50 32.35 3gtj n PRO 1324CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 3gtj n THR 1325N -0.25 0.25 0.00 0.52 5.66 -1.26 -4.88 114.28 114.32 3gtj n THR 1325Ca 0.28 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 3gtj n THR 1325Cb 1.04 1.12 0.00 0.00 -1.55 0.00 0.00 70.33 70.94 3gtj n THR 1325CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3gtj n ARG 1326N -0.13 2.61 -1.66 1.09 1.74 -1.12 -5.09 116.66 114.10 3gtj n ARG 1326Ca 0.00 0.00 -0.57 0.00 -0.77 0.00 0.00 57.85 56.51 3gtj n ARG 1326Cb 0.24 -0.62 -0.07 0.00 -1.02 0.00 0.00 32.46 30.99 3gtj n ARG 1326CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3gtj n ILE 1327N -0.63 0.16 -4.33 0.55 3.06 -1.15 -4.84 119.36 112.19 3gtj n ILE 1327Ca 0.00 -0.03 -0.22 0.00 -2.50 0.00 0.00 62.75 60.00 3gtj n ILE 1327Cb 0.07 -0.96 -0.16 0.00 0.54 0.00 0.00 39.64 39.12 3gtj n ILE 1327CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 3gtj s TYR 1328N 2.27 1.09 -0.16 9.51 5.04 -0.37 -5.01 117.35 129.72 3gtj s TYR 1328Ca 0.94 -0.38 0.02 0.00 -2.44 0.00 0.00 57.07 55.21 3gtj s TYR 1328Cb -1.07 -0.87 0.02 0.00 0.35 0.00 0.00 41.96 40.38 3gtj s TYR 1328CO 0.60 -0.25 -0.20 0.99 -1.34 0.00 0.00 175.55 175.35 3gtj s THR 1329N 0.86 2.00 -0.86 4.34 2.01 -1.26 -2.15 115.64 120.59 3gtj s THR 1329Ca -0.12 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 60.97 3gtj s THR 1329Cb -0.15 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.57 3gtj s THR 1329CO 0.01 0.53 0.95 -0.46 -0.69 0.00 0.00 174.62 174.96 3gtj n ASN 1330N 4.41 0.01 -4.57 3.53 6.94 -1.09 -4.06 115.26 120.43 3gtj n ASN 1330Ca -0.20 0.44 -0.38 0.00 -0.02 0.00 0.00 54.58 54.41 3gtj n ASN 1330Cb 0.51 -0.44 -0.03 0.00 -2.36 0.00 0.00 39.78 37.46 3gtj n ASN 1330CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3gtj s SER 1331N -2.89 6.27 0.55 0.53 0.15 -1.26 -4.77 113.70 112.28 3gtj s SER 1331Ca -0.00 -1.56 0.32 0.00 0.70 0.00 0.00 55.95 55.41 3gtj s SER 1331Cb 0.00 -2.57 1.59 0.00 -1.71 0.00 0.00 66.02 63.33 3gtj s SER 1331CO 0.00 -1.72 2.10 2.19 1.20 0.00 0.00 173.24 177.01 3gtj h PHE 1332N 9.55 0.00 -0.22 3.44 -5.15 -1.93 -1.92 116.94 120.71 3gtj h PHE 1332Ca 0.24 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.90 3gtj h PHE 1332Cb 0.98 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.13 3gtj h PHE 1332CO 1.30 0.08 -0.34 0.97 -2.00 0.00 0.00 178.31 178.32 3gtj h ILE 1333N 0.00 1.29 -0.27 0.88 -0.00 -1.92 -2.74 117.51 114.74 3gtj h ILE 1333Ca -0.00 -1.43 -0.16 0.00 -0.00 0.00 0.00 64.86 63.27 3gtj h ILE 1333Cb 0.33 1.49 -0.00 0.00 -0.00 0.00 0.00 36.82 38.64 3gtj h ILE 1333CO 0.01 0.45 -0.45 0.44 -0.00 0.00 0.00 178.15 178.60 3gtj h ASP 1334N 0.40 0.86 -0.98 2.19 5.19 -1.74 -3.15 116.42 119.18 3gtj h ASP 1334Ca 0.05 -0.52 0.28 0.00 -0.62 0.00 0.00 57.03 56.21 3gtj h ASP 1334Cb 0.78 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 40.00 3gtj h ASP 1334CO 0.06 1.22 0.70 0.40 -3.12 0.00 0.00 179.24 178.50 3gtj h ILE 1335N 0.53 0.52 0.00 0.35 1.08 -1.36 -1.22 117.51 117.42 3gtj h ILE 1335Ca 0.02 -0.02 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 3gtj h ILE 1335Cb 1.05 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 3gtj h ILE 1335CO 0.10 0.01 -0.19 -0.03 -0.69 0.00 0.00 178.15 177.35 3gtj h MET 1336N 0.07 0.00 0.00 2.37 4.05 -1.44 -2.45 114.93 117.52 3gtj h MET 1336Ca 0.48 0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.66 3gtj h MET 1336Cb 1.80 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.55 3gtj h MET 1336CO -0.04 0.19 -1.86 0.39 0.23 0.00 0.00 176.91 175.82 3gtj n GLU 1337N -3.18 0.65 -0.08 0.39 1.02 -0.49 -4.00 120.64 114.95 3gtj n GLU 1337Ca 0.02 0.12 -0.22 0.00 -0.02 0.00 0.00 57.16 57.06 3gtj n GLU 1337Cb 0.56 -1.68 -0.12 0.00 -0.02 0.00 0.00 31.44 30.18 3gtj n GLU 1337CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gtj n VAL 1338N -2.81 1.60 -1.04 2.62 0.31 -1.06 -4.60 118.33 113.35 3gtj n VAL 1338Ca -0.18 -0.24 0.07 0.00 -0.01 0.00 0.00 64.34 63.98 3gtj n VAL 1338Cb 0.96 -1.93 0.26 0.00 -0.91 0.00 0.00 33.84 32.22 3gtj n VAL 1338CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3gtj n LEU 1339N -4.13 3.99 0.00 7.52 4.77 -0.92 -5.09 117.00 123.13 3gtj n LEU 1339Ca -0.34 -3.10 0.00 0.00 -0.03 0.00 0.00 56.01 52.54 3gtj n LEU 1339Cb 0.81 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3gtj n LEU 1339CO 0.24 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 3gtj n GLY 1340N -0.55 -2.64 0.14 -0.72 0.00 -1.26 -4.19 105.19 95.96 3gtj n GLY 1340Ca 0.23 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 3gtj n GLY 1340CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3gtj h ILE 1341N 0.00 1.20 0.00 -0.61 6.09 -1.91 -3.29 117.51 119.00 3gtj h ILE 1341Ca 0.00 -2.72 -0.08 0.00 -1.37 0.00 0.00 64.86 60.69 3gtj h ILE 1341Cb 0.00 2.91 -0.01 0.00 0.47 0.00 0.00 36.82 40.19 3gtj h ILE 1341CO 0.00 0.84 -0.40 -0.33 -3.07 0.00 0.00 178.15 175.19 3gtj h GLU 1342N 0.12 0.00 0.00 2.19 4.39 -1.96 -1.42 114.58 117.90 3gtj h GLU 1342Ca -0.26 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.38 3gtj h GLU 1342Cb 2.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.75 3gtj h GLU 1342CO 0.22 0.40 -0.27 0.00 -1.16 0.00 0.00 179.01 178.20 3gtj h ALA 1343N 1.60 0.98 0.74 3.43 0.00 -1.73 -3.15 119.26 121.13 3gtj h ALA 1343Ca -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3gtj h ALA 1343Cb 0.89 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3gtj h ALA 1343CO 0.05 0.34 -0.36 0.78 0.00 0.00 0.00 179.25 180.07 3gtj h GLY 1344N 2.30 -1.04 -0.90 0.00 0.00 -1.33 -2.87 103.07 99.22 3gtj h GLY 1344Ca -0.00 0.39 0.33 0.00 0.00 0.00 0.00 47.33 48.04 3gtj h GLY 1344CO 0.04 -0.38 0.30 -2.13 0.00 0.00 0.00 176.54 174.37 3gtj n ARG 1345N -5.47 -0.06 0.05 4.80 0.63 -1.03 -0.11 116.66 115.48 3gtj n ARG 1345Ca -0.13 1.29 -0.07 0.00 -0.92 0.00 0.00 57.85 58.01 3gtj n ARG 1345Cb 0.41 -2.21 0.08 0.00 0.45 0.00 0.00 32.46 31.19 3gtj n ARG 1345CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gtj h ALA 1346N 1.81 0.75 0.04 5.13 0.00 -1.55 -2.52 119.26 122.93 3gtj h ALA 1346Ca 0.68 -0.54 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 3gtj h ALA 1346Cb 1.67 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.40 3gtj h ALA 1346CO -0.76 0.72 -0.84 0.00 0.00 0.00 0.00 179.25 178.37 3gtj h ALA 1347N 1.07 0.05 -0.60 0.00 0.00 -0.31 -1.77 119.26 117.70 3gtj h ALA 1347Ca -0.01 -0.65 0.06 0.00 0.00 0.00 0.00 54.91 54.31 3gtj h ALA 1347Cb 1.14 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3gtj h ALA 1347CO 0.10 0.49 0.31 1.25 0.00 0.00 0.00 179.25 181.40 3gtj h LEU 1348N 0.04 0.45 0.75 0.00 5.85 -1.24 -0.05 115.31 121.11 3gtj h LEU 1348Ca -0.12 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 3gtj h LEU 1348Cb 1.55 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.54 3gtj h LEU 1348CO 0.16 0.30 -0.36 0.22 -0.34 0.00 0.00 178.44 178.42 3gtj h TYR 1349N 0.59 -0.93 -1.07 1.25 3.20 -1.47 -0.71 116.97 117.82 3gtj h TYR 1349Ca 0.27 -0.02 0.29 0.00 3.14 0.00 0.00 58.73 62.40 3gtj h TYR 1349Cb 0.18 0.31 -0.08 0.00 1.54 0.00 0.00 36.73 38.68 3gtj h TYR 1349CO -0.10 -0.58 0.71 -0.22 -1.64 0.00 0.00 178.16 176.33 3gtj h LYS 1350N -1.01 0.27 0.11 1.82 3.64 -0.56 0.34 116.57 121.18 3gtj h LYS 1350Ca -0.10 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.01 3gtj h LYS 1350Cb 0.77 -0.06 0.03 0.00 -0.41 0.00 0.00 32.23 32.56 3gtj h LYS 1350CO 0.17 0.18 -1.03 1.49 -2.27 0.00 0.00 179.45 177.99 3gtj h GLU 1351N 0.28 0.51 -0.78 1.90 4.57 -0.73 0.27 114.58 120.60 3gtj h GLU 1351Ca 0.58 -0.69 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 3gtj h GLU 1351Cb 1.71 0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 30.49 3gtj h GLU 1351CO -0.22 1.30 0.44 0.28 -1.18 0.00 0.00 179.01 179.62 3gtj h VAL 1352N 0.05 1.23 0.84 0.32 2.07 0.86 -2.77 116.25 118.85 3gtj h VAL 1352Ca -0.16 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 3gtj h VAL 1352Cb 1.75 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3gtj h VAL 1352CO 0.20 0.25 -0.41 0.22 0.02 0.00 0.00 177.57 177.85 3gtj h TYR 1353N 1.07 -1.05 -0.16 1.57 3.20 -0.39 -2.82 116.97 118.39 3gtj h TYR 1353Ca 0.27 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.17 3gtj h TYR 1353Cb 0.02 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3gtj h TYR 1353CO -0.00 -0.65 0.43 -0.91 -1.64 0.00 0.00 178.16 175.39 3gtj h ASN 1354N -1.24 0.00 0.10 -2.11 2.35 -0.44 0.71 115.58 114.96 3gtj h ASN 1354Ca -0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3gtj h ASN 1354Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 3gtj h ASN 1354CO 0.19 0.00 -0.05 0.58 -1.65 0.00 0.00 177.43 176.50 3gtj h VAL 1355N 0.00 1.13 -0.10 2.81 2.07 -1.25 -2.30 116.25 118.61 3gtj h VAL 1355Ca 0.08 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 3gtj h VAL 1355Cb 0.94 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3gtj h VAL 1355CO -0.00 0.26 0.03 0.40 0.02 0.00 0.00 177.57 178.27 3gtj h ILE 1356N -0.66 1.18 0.00 4.57 1.08 -0.69 -3.18 117.51 119.81 3gtj h ILE 1356Ca -0.01 -0.55 -0.04 0.00 -0.39 0.00 0.00 64.86 63.87 3gtj h ILE 1356Cb 0.52 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 3gtj h ILE 1356CO 0.02 0.16 -0.21 0.00 -0.69 0.00 0.00 178.15 177.43 3gtj h ALA 1357N 0.84 0.99 0.00 1.87 0.00 -1.41 -2.98 119.26 118.57 3gtj h ALA 1357Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gtj h ALA 1357Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gtj h ALA 1357CO -0.00 0.27 0.04 0.66 0.00 0.00 0.00 179.25 180.22 3gtj h SER 1358N 0.00 0.00 -0.29 0.00 4.64 -1.38 -2.54 113.55 113.98 3gtj h SER 1358Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gtj h SER 1358Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3gtj h SER 1358CO 0.03 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.32 3gtj n ASP 1359N -2.65 3.06 0.00 4.97 2.03 -1.13 -4.96 116.55 117.88 3gtj n ASP 1359Ca -0.02 -2.26 0.00 0.00 0.52 0.00 0.00 54.79 53.03 3gtj n ASP 1359Cb 0.09 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 3gtj n ASP 1359CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gtj n GLY 1360N 0.16 0.97 3.87 0.27 0.00 -0.96 -5.05 105.19 104.45 3gtj n GLY 1360Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3gtj n GLY 1360CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gtj s SER 1361N -3.00 5.58 -0.08 1.61 0.01 -1.20 -5.02 113.70 111.59 3gtj s SER 1361Ca 0.00 1.26 -0.03 0.00 1.31 0.00 0.00 55.95 58.49 3gtj s SER 1361Cb 0.00 -2.13 0.05 0.00 0.21 0.00 0.00 66.02 64.15 3gtj s SER 1361CO 0.00 -1.27 0.15 -0.47 0.41 0.00 0.00 173.24 172.06 3gtj s TYR 1362N -3.27 -0.17 -0.08 2.43 5.04 -1.26 -4.16 117.35 115.87 3gtj s TYR 1362Ca 0.57 0.59 0.04 0.00 -2.44 0.00 0.00 57.07 55.83 3gtj s TYR 1362Cb -0.11 -0.25 -0.01 0.00 0.35 0.00 0.00 41.96 41.93 3gtj s TYR 1362CO 0.53 -0.26 -0.19 0.08 -1.34 0.00 0.00 175.55 174.37 3gtj s VAL 1363N 2.17 2.59 0.29 3.14 1.01 -1.26 -4.58 120.40 123.75 3gtj s VAL 1363Ca 0.02 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 3gtj s VAL 1363Cb -0.12 -2.01 -0.11 0.00 0.00 0.00 0.00 36.38 34.14 3gtj s VAL 1363CO -0.06 0.56 1.57 0.21 0.00 0.00 0.00 175.10 177.39 3gtj s ASN 1364N -0.12 6.41 0.28 3.32 3.84 -1.15 -4.86 114.94 122.67 3gtj s ASN 1364Ca -0.03 2.92 -0.05 0.00 0.21 0.00 0.00 52.86 55.91 3gtj s ASN 1364Cb -0.14 -2.63 0.56 0.00 -0.55 0.00 0.00 41.25 38.48 3gtj s ASN 1364CO 0.04 -0.89 1.57 0.22 -2.79 0.00 0.00 177.10 175.25 3gtj h TYR 1365N 4.86 -0.32 0.00 0.43 3.20 -1.99 -0.86 116.97 122.29 3gtj h TYR 1365Ca -0.47 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.48 3gtj h TYR 1365Cb 1.22 0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.78 3gtj h TYR 1365CO 0.59 -0.41 0.17 0.07 -1.64 0.00 0.00 178.16 176.94 3gtj h ARG 1366N 0.01 0.00 0.00 1.82 0.11 -1.90 -2.24 114.38 112.18 3gtj h ARG 1366Ca 0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.59 3gtj h ARG 1366Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 3gtj h ARG 1366CO -0.95 0.00 0.00 0.72 0.10 0.00 0.00 179.97 179.84 3gtj n HIS 1367N -2.22 0.00 -0.35 4.08 8.25 -0.33 -3.36 115.22 121.29 3gtj n HIS 1367Ca -0.01 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.69 3gtj n HIS 1367Cb 0.20 -0.27 0.51 0.00 1.12 0.00 0.00 29.99 31.55 3gtj n HIS 1367CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3gtj h MET 1368N 0.00 0.36 0.30 -0.41 2.86 -1.68 0.44 114.93 116.80 3gtj h MET 1368Ca 0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3gtj h MET 1368Cb 0.00 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3gtj h MET 1368CO 0.00 0.24 -0.50 0.00 1.06 0.00 0.00 176.91 177.70 3gtj h ALA 1369N 1.66 -1.06 -0.62 6.32 0.00 -1.60 0.13 119.26 124.09 3gtj h ALA 1369Ca 0.65 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.51 3gtj h ALA 1369Cb 1.65 0.81 -0.11 0.00 0.00 0.00 0.00 17.79 20.14 3gtj h ALA 1369CO -0.38 -1.14 -0.45 1.25 0.00 0.00 0.00 179.25 178.53 3gtj h LEU 1370N -0.85 -1.56 -0.19 0.00 5.85 -0.94 -0.07 115.31 117.55 3gtj h LEU 1370Ca -0.03 0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3gtj h LEU 1370Cb 0.79 0.71 -0.03 0.00 0.37 0.00 0.00 40.66 42.50 3gtj h LEU 1370CO -0.17 -0.33 -0.18 0.25 -0.34 0.00 0.00 178.44 177.66 3gtj h LEU 1371N -0.21 -0.63 -1.00 2.25 5.85 -0.89 -1.87 115.31 118.81 3gtj h LEU 1371Ca 0.18 0.09 0.33 0.00 0.84 0.00 0.00 57.88 59.32 3gtj h LEU 1371Cb 0.56 0.27 -0.15 0.00 0.37 0.00 0.00 40.66 41.70 3gtj h LEU 1371CO -0.71 -0.11 0.54 0.58 -0.34 0.00 0.00 178.44 178.39 3gtj h VAL 1372N -0.09 0.25 -0.50 1.05 2.07 -0.07 0.28 116.25 119.24 3gtj h VAL 1372Ca 0.03 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 3gtj h VAL 1372Cb 0.18 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 3gtj h VAL 1372CO -0.23 0.05 -0.06 0.44 0.02 0.00 0.00 177.57 177.79 3gtj h ASP 1373N 0.26 0.87 -0.19 0.57 3.32 -0.23 -2.85 116.42 118.17 3gtj h ASP 1373Ca 0.74 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 57.50 3gtj h ASP 1373Cb 1.74 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 41.04 3gtj h ASP 1373CO -0.64 0.96 0.00 0.58 -1.72 0.00 0.00 179.24 178.43 3gtj h VAL 1374N 0.80 1.18 0.00 -1.35 2.07 0.06 -1.04 116.25 117.97 3gtj h VAL 1374Ca 0.14 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3gtj h VAL 1374Cb 0.57 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3gtj h VAL 1374CO 0.03 0.23 0.00 0.23 0.02 0.00 0.00 177.57 178.09 3gtj n MET 1375N -4.31 0.99 0.01 1.57 2.81 -1.07 -4.19 117.12 112.92 3gtj n MET 1375Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3gtj n MET 1375Cb 0.22 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 3gtj n MET 1375CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3gtj n THR 1376N 0.18 0.01 -0.12 2.03 -1.04 -0.44 -3.31 114.28 111.59 3gtj n THR 1376Ca 0.00 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.21 3gtj n THR 1376Cb 0.33 -0.60 0.60 0.00 -1.82 0.00 0.00 70.33 68.85 3gtj n THR 1376CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3gtj h THR 1377N 0.00 0.72 0.00 12.58 1.35 -1.61 -2.96 112.91 123.00 3gtj h THR 1377Ca 0.00 -0.07 -0.61 0.00 -0.55 0.00 0.00 66.41 65.17 3gtj h THR 1377Cb 0.09 0.49 0.02 0.00 -1.73 0.00 0.00 68.15 67.02 3gtj h THR 1377CO 0.00 0.04 3.42 1.67 -0.25 0.00 0.00 175.52 180.40 3gtj n GLN 1378N -4.42 3.13 0.00 4.72 7.27 -1.26 -4.85 117.38 121.98 3gtj n GLN 1378Ca 0.14 -2.09 0.00 0.00 0.07 0.00 0.00 57.00 55.12 3gtj n GLN 1378Cb 0.65 -2.81 0.00 0.00 2.41 0.00 0.00 30.24 30.49 3gtj n GLN 1378CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gtj n GLY 1379N 3.74 1.21 0.00 1.69 0.00 -1.12 -4.73 105.19 105.98 3gtj n GLY 1379Ca 0.66 0.41 0.00 0.00 0.00 0.00 0.00 46.02 47.09 3gtj n GLY 1379CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtj n GLY 1380N 0.00 5.89 3.66 -0.02 0.00 -1.26 -4.96 105.19 108.49 3gtj n GLY 1380Ca 0.00 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 3gtj n GLY 1380CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtj s LEU 1381N 0.00 4.31 -0.30 0.99 1.43 -1.26 -4.31 118.68 119.54 3gtj s LEU 1381Ca 0.00 2.20 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 3gtj s LEU 1381Cb 0.00 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.76 3gtj s LEU 1381CO 0.00 -0.91 -0.02 -0.89 0.23 0.00 0.00 176.35 174.76 3gtj s THR 1382N 3.99 2.54 1.18 5.49 2.01 -1.21 -5.06 115.64 124.59 3gtj s THR 1382Ca 0.72 -1.74 -0.14 0.00 0.31 0.00 0.00 61.69 60.84 3gtj s THR 1382Cb -0.33 -2.58 0.25 0.00 0.01 0.00 0.00 72.50 69.85 3gtj s THR 1382CO 0.29 -0.23 0.76 -1.54 -0.69 0.00 0.00 174.62 173.21 3gtj n SER 1383N 4.47 -1.98 -2.50 3.53 3.41 -1.26 -4.63 113.62 114.65 3gtj n SER 1383Ca -0.09 -0.18 -0.36 0.00 -0.26 0.00 0.00 58.87 57.98 3gtj n SER 1383Cb 0.42 -1.18 0.07 0.00 -0.26 0.00 0.00 64.21 63.26 3gtj n SER 1383CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3gtj n VAL 1384N -4.88 3.61 -4.47 -3.33 0.31 0.28 -2.00 118.33 107.85 3gtj n VAL 1384Ca 0.02 -3.32 -0.25 0.00 -0.01 0.00 0.00 64.34 60.79 3gtj n VAL 1384Cb 0.56 -1.19 -0.08 0.00 -0.91 0.00 0.00 33.84 32.22 3gtj n VAL 1384CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3gtj s THR 1385N -4.83 0.37 -1.34 2.52 2.01 -1.26 -4.84 115.64 108.26 3gtj s THR 1385Ca 0.60 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.63 3gtj s THR 1385Cb 0.48 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 70.71 3gtj s THR 1385CO -0.13 0.00 0.95 -2.11 -0.69 0.00 0.00 174.62 172.63 3gtj n ARG 1386N -0.88 0.03 -0.06 4.92 1.85 -1.26 -1.33 116.66 119.93 3gtj n ARG 1386Ca -0.03 0.30 -0.22 0.00 -1.00 0.00 0.00 57.85 56.90 3gtj n ARG 1386Cb 0.64 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.42 3gtj n ARG 1386CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3gtj n HIS 1387N -1.33 0.98 0.00 2.89 8.25 -1.26 -4.64 115.22 120.11 3gtj n HIS 1387Ca 0.01 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 3gtj n HIS 1387Cb 0.03 -1.11 0.00 0.00 1.12 0.00 0.00 29.99 30.02 3gtj n HIS 1387CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtj n GLY 1388N 1.73 -0.28 2.35 -1.41 0.00 -0.44 -4.88 105.19 102.26 3gtj n GLY 1388Ca -0.35 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 3gtj n GLY 1388CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3gtj n PHE 1389N 0.00 -3.65 -1.28 1.61 1.16 -0.85 -4.76 117.46 109.69 3gtj n PHE 1389Ca 0.00 -0.67 0.00 0.00 -1.87 0.00 0.00 57.45 54.91 3gtj n PHE 1389Cb 0.00 -0.74 0.00 0.00 -1.61 0.00 0.00 39.48 37.13 3gtj n PHE 1389CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 3gtj n ASN 1390N -4.13 -0.91 -2.63 5.98 0.23 -1.26 -4.51 115.26 108.02 3gtj n ASN 1390Ca 0.10 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 54.05 3gtj n ASN 1390Cb 0.39 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.07 3gtj n ASN 1390CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3gtj n ARG 1391N -0.10 -2.06 -3.02 -3.83 -4.01 -1.26 -4.82 116.66 97.57 3gtj n ARG 1391Ca 0.00 0.03 -0.24 0.00 -1.04 0.00 0.00 57.85 56.60 3gtj n ARG 1391Cb 0.00 -3.63 -0.04 0.00 -3.04 0.00 0.00 32.46 25.75 3gtj n ARG 1391CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 3gtj n SER 1392N -1.37 3.31 -3.85 2.89 3.41 -1.26 -4.96 113.62 111.79 3gtj n SER 1392Ca 0.03 -3.47 -0.26 0.00 -0.26 0.00 0.00 58.87 54.91 3gtj n SER 1392Cb 0.39 -0.58 -0.01 0.00 -0.26 0.00 0.00 64.21 63.75 3gtj n SER 1392CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3gtj n ASN 1393N -0.08 -1.52 0.00 4.04 6.94 -1.26 -4.86 115.26 118.52 3gtj n ASN 1393Ca 0.29 -0.80 0.00 0.00 -0.02 0.00 0.00 54.58 54.05 3gtj n ASN 1393Cb 0.48 -0.97 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 3gtj n ASN 1393CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3gtj n THR 1394N -3.41 0.00 -3.15 5.53 -1.04 -1.26 -5.05 114.28 105.91 3gtj n THR 1394Ca -0.11 0.32 0.05 0.00 -2.04 0.00 0.00 64.05 62.27 3gtj n THR 1394Cb 0.37 -1.26 -0.00 0.00 -1.82 0.00 0.00 70.33 67.62 3gtj n THR 1394CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3gtj s GLY 1395N -2.18 -0.96 0.11 3.41 0.00 -1.26 -4.81 107.32 101.62 3gtj s GLY 1395Ca 0.00 1.88 -0.17 0.00 0.00 0.00 0.00 44.72 46.43 3gtj s GLY 1395CO 0.00 3.93 0.93 0.00 0.00 0.00 0.00 173.10 177.96 3gtj n ALA 1396N 5.25 -0.32 -0.34 3.20 0.00 -1.26 -0.48 120.51 126.56 3gtj n ALA 1396Ca 0.06 0.53 0.06 0.00 0.00 0.00 0.00 53.44 54.09 3gtj n ALA 1396Cb 0.56 -0.12 0.24 0.00 0.00 0.00 0.00 19.45 20.12 3gtj n ALA 1396CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gtj h LEU 1397N 0.00 0.93 0.18 0.00 3.38 -1.98 -2.40 115.31 115.42 3gtj h LEU 1397Ca 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3gtj h LEU 1397Cb 0.27 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3gtj h LEU 1397CO -0.58 0.53 -0.09 -0.03 0.09 0.00 0.00 178.44 178.37 3gtj h MET 1398N 1.02 -0.24 -0.23 1.13 4.05 -1.15 -3.05 114.93 116.45 3gtj h MET 1398Ca 0.46 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.96 3gtj h MET 1398Cb 0.38 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 3gtj h MET 1398CO -0.22 -0.16 0.66 0.00 0.23 0.00 0.00 176.91 177.42 3gtj h ARG 1399N -0.44 0.00 0.03 0.39 3.08 -1.36 0.30 114.38 116.38 3gtj h ARG 1399Ca -0.03 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.80 3gtj h ARG 1399Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3gtj h ARG 1399CO 0.04 0.00 -0.99 0.00 -1.07 0.00 0.00 179.97 177.95 3gtj n SER 1401N -3.67 1.63 -0.01 0.00 3.41 0.10 -4.18 113.62 110.90 3gtj n SER 1401Ca -0.06 -2.07 -0.05 0.00 -0.26 0.00 0.00 58.87 56.42 3gtj n SER 1401Cb 0.87 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 3gtj n SER 1401CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3gtj n PHE 1402N 0.10 0.00 -3.52 7.33 7.35 -1.24 -4.92 117.46 122.56 3gtj n PHE 1402Ca 0.02 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.60 3gtj n PHE 1402Cb 0.36 -0.21 -0.04 0.00 0.35 0.00 0.00 39.48 39.94 3gtj n PHE 1402CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3gtj s GLU 1403N -2.23 0.86 -0.74 -4.13 2.12 -1.26 -5.03 118.70 108.29 3gtj s GLU 1403Ca -0.10 -0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.13 3gtj s GLU 1403Cb 0.03 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.82 3gtj s GLU 1403CO 0.14 -0.33 0.67 0.39 -0.54 0.00 0.00 175.26 175.59 3gtj n GLU 1404N 0.26 -1.45 0.09 4.30 1.02 -1.26 -4.79 120.64 118.80 3gtj n GLU 1404Ca -0.12 1.34 -0.22 0.00 -0.02 0.00 0.00 57.16 58.14 3gtj n GLU 1404Cb 0.60 -4.79 -0.15 0.00 -0.02 0.00 0.00 31.44 27.08 3gtj n GLU 1404CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3gtj h THR 1405N 0.39 1.37 0.06 2.62 2.02 -1.94 -3.31 112.91 114.13 3gtj h THR 1405Ca -0.17 -2.59 -0.00 0.00 0.77 0.00 0.00 66.41 64.41 3gtj h THR 1405Cb 1.11 3.09 0.00 0.00 -1.74 0.00 0.00 68.15 70.62 3gtj h THR 1405CO 0.31 0.76 -0.03 0.58 0.37 0.00 0.00 175.52 177.51 3gtj h VAL 1406N -0.14 0.00 -0.78 3.16 2.07 -1.91 -3.21 116.25 115.44 3gtj h VAL 1406Ca -0.21 -0.15 0.31 0.00 0.82 0.00 0.00 66.70 67.47 3gtj h VAL 1406Cb 1.88 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.53 3gtj h VAL 1406CO 0.20 0.00 0.45 -1.84 0.02 0.00 0.00 177.57 176.39 3gtj n GLU 1407N -2.64 -0.04 0.22 1.57 0.00 -1.26 0.26 120.64 118.75 3gtj n GLU 1407Ca -0.01 0.94 -0.14 0.00 0.00 0.00 0.00 57.16 57.95 3gtj n GLU 1407Cb 0.03 -1.74 -0.08 0.00 0.00 0.00 0.00 31.44 29.66 3gtj n GLU 1407CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3gtj h ILE 1408N 0.00 0.58 -0.59 3.84 1.08 -1.67 -2.77 117.51 117.98 3gtj h ILE 1408Ca 0.60 -0.36 -0.03 0.00 -0.39 0.00 0.00 64.86 64.69 3gtj h ILE 1408Cb 1.69 0.76 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 3gtj h ILE 1408CO -0.48 0.07 0.26 -0.07 -0.69 0.00 0.00 178.15 177.24 3gtj h LEU 1409N -0.75 0.76 0.22 1.44 3.38 -0.18 -1.13 115.31 119.04 3gtj h LEU 1409Ca -0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3gtj h LEU 1409Cb 0.52 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3gtj h LEU 1409CO 0.09 0.66 -0.12 -0.26 0.09 0.00 0.00 178.44 178.90 3gtj h PHE 1410N 0.83 -0.33 -0.25 1.13 0.05 -0.85 -0.11 116.94 117.41 3gtj h PHE 1410Ca 0.20 -0.00 0.07 0.00 3.82 0.00 0.00 57.97 62.06 3gtj h PHE 1410Cb 0.12 0.12 -0.01 0.00 2.00 0.00 0.00 35.95 38.17 3gtj h PHE 1410CO 0.01 -0.19 0.19 1.05 -0.18 0.00 0.00 178.31 179.19 3gtj h GLU 1411N -0.32 0.00 0.00 1.51 4.11 -1.52 0.58 114.58 118.94 3gtj h GLU 1411Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 3gtj h GLU 1411Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3gtj h GLU 1411CO 0.04 0.00 -0.11 0.00 0.07 0.00 0.00 179.01 179.01 3gtj h ALA 1412N 1.86 1.15 0.00 1.06 0.00 -0.93 0.13 119.26 122.53 3gtj h ALA 1412Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gtj h ALA 1412Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gtj h ALA 1412CO -0.00 0.14 -0.89 0.78 0.00 0.00 0.00 179.25 179.27 3gtj h GLY 1413N 1.21 0.00 0.66 0.00 0.00 0.21 -3.10 103.07 102.05 3gtj h GLY 1413Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3gtj h GLY 1413CO 0.01 0.00 -1.39 0.00 0.00 0.00 0.00 176.54 175.16 3gtj n ALA 1414N -2.07 2.51 1.00 3.60 0.00 -0.55 -4.06 120.51 120.94 3gtj n ALA 1414Ca 0.01 -0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.18 3gtj n ALA 1414Cb 0.52 -0.96 0.19 0.00 0.00 0.00 0.00 19.45 19.20 3gtj n ALA 1414CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gtj n SER 1415N -2.58 0.58 -3.54 0.00 7.64 0.33 -4.68 113.62 111.38 3gtj n SER 1415Ca -0.03 -0.37 -0.24 0.00 1.01 0.00 0.00 58.87 59.24 3gtj n SER 1415Cb 0.61 0.37 0.05 0.00 -1.01 0.00 0.00 64.21 64.23 3gtj n SER 1415CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtj n ALA 1416N -1.50 -2.40 -1.95 -0.43 0.00 -1.25 -4.75 120.51 108.23 3gtj n ALA 1416Ca 0.05 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 3gtj n ALA 1416Cb 0.33 -4.15 -0.04 0.00 0.00 0.00 0.00 19.45 15.59 3gtj n ALA 1416CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gtj s GLU 1417N -5.45 4.55 -0.18 0.00 2.02 -1.17 -4.81 118.70 113.66 3gtj s GLU 1417Ca 0.35 1.83 -0.10 0.00 0.02 0.00 0.00 54.97 57.07 3gtj s GLU 1417Cb -0.09 -3.23 -0.05 0.00 0.10 0.00 0.00 34.13 30.86 3gtj s GLU 1417CO 0.81 0.04 0.16 -1.17 0.02 0.00 0.00 175.26 175.11 3gtj s LEU 1418N -0.70 4.24 -0.30 1.80 2.96 -1.26 -1.05 118.68 124.37 3gtj s LEU 1418Ca 0.49 0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 54.62 3gtj s LEU 1418Cb -0.32 -2.13 -0.00 0.00 0.50 0.00 0.00 46.19 44.24 3gtj s LEU 1418CO 0.38 0.20 0.12 -0.62 -1.32 0.00 0.00 176.35 175.11 3gtj s ASP 1419N 0.20 5.35 0.31 3.68 2.15 0.46 -4.94 116.67 123.88 3gtj s ASP 1419Ca 0.10 -0.54 0.08 0.00 0.43 0.00 0.00 52.55 52.62 3gtj s ASP 1419Cb -0.11 -1.95 0.87 0.00 -0.30 0.00 0.00 42.92 41.42 3gtj s ASP 1419CO -0.00 -0.17 1.68 -0.78 -0.17 0.00 0.00 175.17 175.73 3gtj h ASP 1420N 8.30 0.40 -3.21 -0.34 3.58 -1.88 -3.16 116.42 120.11 3gtj h ASP 1420Ca -0.33 0.17 -0.30 0.00 0.42 0.00 0.00 57.03 56.99 3gtj h ASP 1420Cb 1.14 0.14 0.04 0.00 1.72 0.00 0.00 39.33 42.37 3gtj h ASP 1420CO 0.61 -0.05 -0.44 0.00 -2.88 0.00 0.00 179.24 176.48 3gtj n ARG 1422N -3.04 1.67 -1.00 0.00 5.12 -1.26 -4.87 116.66 113.28 3gtj n ARG 1422Ca -0.10 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.53 3gtj n ARG 1422Cb 0.60 -1.34 0.16 0.00 -1.16 0.00 0.00 32.46 30.71 3gtj n ARG 1422CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3gtj s GLY 1423N -4.75 1.62 0.04 -0.13 0.00 -1.26 -4.65 107.32 98.20 3gtj s GLY 1423Ca -0.08 0.09 -0.21 0.00 0.00 0.00 0.00 44.72 44.51 3gtj s GLY 1423CO 0.53 0.59 1.32 -2.08 0.00 0.00 0.00 173.10 173.46 3gtj h VAL 1424N -1.75 0.00 -0.65 1.40 2.07 -1.93 -3.24 116.25 112.14 3gtj h VAL 1424Ca -0.50 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3gtj h VAL 1424Cb 1.28 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3gtj h VAL 1424CO 0.51 0.00 0.43 0.28 0.02 0.00 0.00 177.57 178.81 3gtj h SER 1425N -0.67 0.73 -0.99 0.57 0.02 -1.98 0.08 113.55 111.30 3gtj h SER 1425Ca -0.06 -0.02 0.15 0.00 -0.84 0.00 0.00 61.79 61.02 3gtj h SER 1425Cb 0.54 -0.18 -0.09 0.00 0.14 0.00 0.00 62.40 62.82 3gtj h SER 1425CO 0.04 0.52 0.62 -0.33 -1.14 0.00 0.00 176.83 176.54 3gtj h GLU 1426N 0.85 0.86 0.00 3.45 5.08 -1.90 -1.82 114.58 121.11 3gtj h GLU 1426Ca 0.24 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3gtj h GLU 1426Cb -0.06 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.00 3gtj h GLU 1426CO -0.06 0.57 -0.22 0.09 -1.00 0.00 0.00 179.01 178.39 3gtj n ASN 1427N -4.66 0.63 0.01 1.42 5.03 -0.00 -3.04 115.26 114.65 3gtj n ASN 1427Ca 0.20 0.37 -0.18 0.00 0.87 0.00 0.00 54.58 55.84 3gtj n ASN 1427Cb 0.44 -0.39 -0.12 0.00 -1.02 0.00 0.00 39.78 38.69 3gtj n ASN 1427CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3gtj h VAL 1428N 0.00 1.47 0.00 2.41 2.07 -1.16 -2.30 116.25 118.74 3gtj h VAL 1428Ca 0.00 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.36 3gtj h VAL 1428Cb 0.68 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3gtj h VAL 1428CO 0.00 0.62 0.00 -0.38 0.02 0.00 0.00 177.57 177.83 3gtj n ILE 1429N -4.24 0.00 -0.80 4.57 5.41 -0.76 -1.41 119.36 122.13 3gtj n ILE 1429Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.64 3gtj n ILE 1429Cb 0.68 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 3gtj n ILE 1429CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3gtj n LEU 1430N -0.07 0.00 -1.93 1.39 4.77 -1.22 -5.03 117.00 114.91 3gtj n LEU 1430Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 3gtj n LEU 1430Cb 0.07 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3gtj n LEU 1430CO 0.00 0.00 -0.17 0.61 -1.33 0.00 0.00 177.39 176.50 3gtj n GLY 1431N 0.00 -0.29 3.84 -0.72 0.00 -0.50 -5.01 105.19 102.51 3gtj n GLY 1431Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 3gtj n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gtj s GLN 1432N -4.91 2.61 -0.15 1.61 -0.21 -0.88 -5.06 119.66 112.66 3gtj s GLN 1432Ca 0.04 -1.41 -0.26 0.00 0.02 0.00 0.00 55.36 53.75 3gtj s GLN 1432Cb -0.02 -2.39 -0.02 0.00 1.00 0.00 0.00 33.01 31.58 3gtj s GLN 1432CO 0.05 0.01 0.85 1.41 -2.12 0.00 0.00 175.29 175.49 3gtj s MET 1433N -4.01 4.33 0.25 2.91 -2.45 -1.26 -4.62 119.30 114.45 3gtj s MET 1433Ca 0.42 1.07 -0.17 0.00 -1.25 0.00 0.00 55.69 55.76 3gtj s MET 1433Cb -0.04 -3.55 -0.08 0.00 1.25 0.00 0.00 34.83 32.40 3gtj s MET 1433CO 0.26 -0.28 0.71 0.00 1.05 0.00 0.00 175.02 176.76 3gtj s ALA 1434N 1.98 3.40 -0.97 4.11 0.00 -1.26 -4.95 121.76 124.06 3gtj s ALA 1434Ca 0.40 0.09 -0.25 0.00 0.00 0.00 0.00 51.96 52.20 3gtj s ALA 1434Cb -0.17 -2.77 -0.13 0.00 0.00 0.00 0.00 23.12 20.05 3gtj s ALA 1434CO 0.14 0.34 2.12 -2.14 0.00 0.00 0.00 175.76 176.22 3gtj s PRO 1435N -2.35 1.92 -0.15 0.00 0.02 -1.26 -4.27 135.00 128.92 3gtj s PRO 1435Ca 0.47 -0.27 -0.08 0.00 0.02 0.00 0.00 61.00 61.14 3gtj s PRO 1435Cb -0.14 -5.00 0.05 0.00 0.02 0.00 0.00 34.50 29.44 3gtj s PRO 1435CO 0.20 -4.34 0.35 0.42 -0.33 0.00 0.00 177.00 173.30 3gtj s ILE 1436N 13.37 -0.04 0.00 2.83 1.01 -1.25 -4.79 121.20 132.33 3gtj s ILE 1436Ca 0.79 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.55 3gtj s ILE 1436Cb -0.07 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.87 3gtj s ILE 1436CO 0.09 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.69 3gtj n GLY 1437N 4.26 0.29 0.38 6.18 0.00 -1.18 0.15 105.19 115.27 3gtj n GLY 1437Ca -0.24 0.25 0.22 0.00 0.00 0.00 0.00 46.02 46.25 3gtj n GLY 1437CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gtj h THR 1438N 0.00 0.47 -0.65 2.61 2.02 -1.91 -1.06 112.91 114.39 3gtj h THR 1438Ca 0.00 -0.15 -0.16 0.00 0.77 0.00 0.00 66.41 66.87 3gtj h THR 1438Cb 0.00 -0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.31 3gtj h THR 1438CO 0.00 0.08 0.18 0.61 0.37 0.00 0.00 175.52 176.76 3gtj n GLY 1439N -1.39 3.67 0.27 2.16 0.00 0.39 -4.55 105.19 105.74 3gtj n GLY 1439Ca 0.28 -1.01 0.16 0.00 0.00 0.00 0.00 46.02 45.45 3gtj n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtj h ALA 1440N 2.71 1.00 -2.54 4.61 0.00 -1.25 -3.34 119.26 120.44 3gtj h ALA 1440Ca 0.20 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.73 3gtj h ALA 1440Cb 2.16 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.81 3gtj h ALA 1440CO 0.63 0.01 -0.56 -0.59 0.00 0.00 0.00 179.25 178.74 3gtj s PHE 1441N -3.60 1.50 0.51 0.00 -0.12 -1.26 -4.94 117.98 110.07 3gtj s PHE 1441Ca 0.02 -1.43 0.08 0.00 -0.05 0.00 0.00 56.93 55.55 3gtj s PHE 1441Cb 0.08 -0.74 0.04 0.00 -0.63 0.00 0.00 43.02 41.78 3gtj s PHE 1441CO 0.56 -0.62 0.59 -0.51 -0.05 0.00 0.00 175.22 175.19 3gtj s ASP 1442N -3.31 5.06 -0.01 1.98 -0.00 -1.26 -5.11 116.67 114.03 3gtj s ASP 1442Ca 0.38 -0.86 0.02 0.00 -0.00 0.00 0.00 52.55 52.09 3gtj s ASP 1442Cb 0.05 0.03 -0.01 0.00 -0.00 0.00 0.00 42.92 42.99 3gtj s ASP 1442CO 0.18 -1.07 -0.07 -0.69 -0.00 0.00 0.00 175.17 173.51 3gtj s VAL 1443N -2.61 0.59 0.22 -1.27 1.01 -1.26 -5.17 120.40 111.92 3gtj s VAL 1443Ca 0.51 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 3gtj s VAL 1443Cb -0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 3gtj s VAL 1443CO 0.32 0.17 0.22 -0.04 0.00 0.00 0.00 175.10 175.77 3gtj s MET 1444N -0.17 1.33 -0.20 2.72 1.00 -1.26 -5.16 119.30 117.57 3gtj s MET 1444Ca 0.03 -1.58 -0.10 0.00 0.00 0.00 0.00 55.69 54.04 3gtj s MET 1444Cb -0.03 0.32 -0.05 0.00 0.00 0.00 0.00 34.83 35.07 3gtj s MET 1444CO -0.00 -0.47 0.12 0.96 0.00 0.00 0.00 175.02 175.62 3gtj s ILE 1445N -4.05 5.30 -2.33 2.53 -4.36 -1.26 -5.03 121.20 112.01 3gtj s ILE 1445Ca 0.35 0.15 0.25 0.00 -0.26 0.00 0.00 60.65 61.14 3gtj s ILE 1445Cb 0.05 -3.42 0.23 0.00 1.25 0.00 0.00 42.46 40.57 3gtj s ILE 1445CO 0.13 0.44 1.39 -0.90 0.24 0.00 0.00 174.94 176.24 3gtj n ASP 1446N 3.55 1.94 0.00 4.36 3.85 -1.26 -5.07 116.55 123.91 3gtj n ASP 1446Ca -0.16 -1.49 0.00 0.00 -0.71 0.00 0.00 54.79 52.42 3gtj n ASP 1446Cb 0.52 0.17 0.00 0.00 -1.35 0.00 0.00 41.12 40.46 3gtj n ASP 1446CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3gtj n GLU 1447N 0.24 0.00 0.00 0.11 4.71 -1.26 -4.81 120.64 119.63 3gtj n GLU 1447Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 3gtj n GLU 1447Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.88 3gtj n GLU 1447CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3gtj n GLU 1448N 0.00 0.00 -3.40 3.49 0.00 -1.26 -4.79 120.64 114.69 3gtj n GLU 1448Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.92 3gtj n GLU 1448Cb 0.00 -2.88 -0.10 0.00 0.00 0.00 0.00 31.44 28.46 3gtj n GLU 1448CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3gtj s SER 1449N -1.86 2.02 -1.48 4.31 0.15 -1.26 -4.47 113.70 111.12 3gtj s SER 1449Ca 0.00 -2.10 -0.11 0.00 0.70 0.00 0.00 55.95 54.44 3gtj s SER 1449Cb 0.00 -0.02 0.06 0.00 -1.71 0.00 0.00 66.02 64.36 3gtj s SER 1449CO 0.00 -0.27 0.97 0.18 1.20 0.00 0.00 173.24 175.33 3gtj n LEU 1450N 3.90 -2.74 0.00 3.45 7.99 -1.26 -5.06 117.00 123.28 3gtj n LEU 1450Ca 0.14 -0.76 0.00 0.00 -0.01 0.00 0.00 56.01 55.39 3gtj n LEU 1450Cb 0.42 -2.63 0.00 0.00 -0.11 0.00 0.00 43.42 41.09 3gtj n LEU 1450CO 0.11 0.48 0.00 0.55 -1.51 0.00 0.00 177.39 177.02