#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6e n GLU 7 N 0.00 0.35 -1.65 3.23 -0.58 -1.26 -1.26 120.64 119.47 3i6e n GLU 7 Ca 0.00 0.05 -0.38 0.00 -0.42 0.00 0.00 57.16 56.41 3i6e n GLU 7 Cb 0.00 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.42 3i6e n GLU 7 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3i6e n GLN 8 N -1.29 1.12 -3.60 3.49 6.02 -1.26 -4.69 117.38 117.17 3i6e n GLN 8 Ca 0.12 0.42 -0.28 0.00 -0.01 0.00 0.00 57.00 57.25 3i6e n GLN 8 Cb 0.20 -2.26 -0.03 0.00 1.02 0.00 0.00 30.24 29.17 3i6e n GLN 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3i6e s LYS 9 N -2.74 3.57 -0.27 -1.09 1.02 -1.26 -1.44 119.74 117.52 3i6e s LYS 9 Ca 0.74 -0.21 -0.24 0.00 0.02 0.00 0.00 55.97 56.28 3i6e s LYS 9 Cb -0.43 -2.79 -0.00 0.00 -0.52 0.00 0.00 37.83 34.09 3i6e s LYS 9 CO 0.48 0.36 0.80 0.42 -0.92 0.00 0.00 175.35 176.49 3i6e s ILE 10 N -1.89 4.82 -1.01 2.17 1.01 0.09 -1.29 121.20 125.10 3i6e s ILE 10 Ca 0.40 1.36 0.17 0.00 0.00 0.00 0.00 60.65 62.58 3i6e s ILE 10 Cb -0.11 -4.12 -0.13 0.00 0.01 0.00 0.00 42.46 38.11 3i6e s ILE 10 CO 0.28 -0.15 0.76 2.30 0.00 0.00 0.00 174.94 178.13 3i6e n ILE 11 N 5.39 0.00 -3.60 2.92 -5.35 0.74 -0.61 119.36 118.85 3i6e n ILE 11 Ca 0.04 -0.17 -0.16 0.00 -0.27 0.00 0.00 62.75 62.19 3i6e n ILE 11 Cb 0.48 1.06 -0.07 0.00 -1.74 0.00 0.00 39.64 39.37 3i6e n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i6e s ALA 12 N -2.41 -1.53 -0.09 -1.28 0.00 -1.19 -4.96 121.76 110.31 3i6e s ALA 12 Ca 0.09 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 3i6e s ALA 12 Cb 0.13 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.07 3i6e s ALA 12 CO 0.61 -0.33 -0.03 1.41 0.00 0.00 0.00 175.76 177.42 3i6e s MET 13 N -0.89 0.98 -0.01 0.00 1.75 -1.26 -1.76 119.30 118.11 3i6e s MET 13 Ca -0.09 -0.04 0.07 0.00 -1.25 0.00 0.00 55.69 54.38 3i6e s MET 13 Cb -0.02 -1.21 -0.02 0.00 2.84 0.00 0.00 34.83 36.41 3i6e s MET 13 CO 0.07 -0.28 -0.22 -0.51 -0.65 0.00 0.00 175.02 173.42 3i6e s ASP 14 N 1.83 3.39 0.11 1.11 1.01 0.19 -4.97 116.67 119.33 3i6e s ASP 14 Ca 0.04 -0.41 0.07 0.00 0.71 0.00 0.00 52.55 52.96 3i6e s ASP 14 Cb -0.12 -0.49 -0.03 0.00 1.01 0.00 0.00 42.92 43.28 3i6e s ASP 14 CO -0.06 0.31 -0.18 -0.76 0.21 0.00 0.00 175.17 174.69 3i6e s LEU 15 N -0.80 2.33 -0.08 1.23 1.43 -1.26 -0.93 118.68 120.59 3i6e s LEU 15 Ca 0.11 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 3i6e s LEU 15 Cb -0.10 -0.72 0.05 0.00 0.03 0.00 0.00 46.19 45.44 3i6e s LEU 15 CO 0.00 -0.03 0.16 0.26 0.23 0.00 0.00 176.35 176.98 3i6e s TRP 16 N -1.50 -0.19 -0.48 0.29 0.51 -0.50 -4.36 118.94 112.72 3i6e s TRP 16 Ca 0.06 0.61 -0.18 0.00 -2.12 0.00 0.00 56.10 54.47 3i6e s TRP 16 Cb -0.08 -0.22 0.05 0.00 -0.81 0.00 0.00 33.47 32.41 3i6e s TRP 16 CO 0.04 -0.26 0.55 -1.58 -0.51 0.00 0.00 176.95 175.19 3i6e s HIS 17 N 2.10 3.10 0.33 -1.98 5.65 0.60 -0.59 115.29 124.50 3i6e s HIS 17 Ca 0.01 -0.52 0.02 0.00 0.25 0.00 0.00 55.06 54.82 3i6e s HIS 17 Cb -0.12 -3.33 -0.03 0.00 -1.18 0.00 0.00 32.58 27.92 3i6e s HIS 17 CO -0.06 -0.91 0.50 -0.51 -0.65 0.00 0.00 174.74 173.11 3i6e s LEU 18 N 2.40 4.06 -0.32 8.88 1.43 0.70 -0.26 118.68 135.56 3i6e s LEU 18 Ca 0.13 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.49 3i6e s LEU 18 Cb -0.19 -3.13 0.12 0.00 0.03 0.00 0.00 46.19 43.02 3i6e s LEU 18 CO 0.12 -0.28 0.17 0.00 0.23 0.00 0.00 176.35 176.59 3i6e s ALA 19 N -2.23 0.83 0.00 4.21 0.00 -0.70 -2.38 121.76 121.49 3i6e s ALA 19 Ca 0.39 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 3i6e s ALA 19 Cb -0.09 -1.52 -0.06 0.00 0.00 0.00 0.00 23.12 21.45 3i6e s ALA 19 CO 0.34 -1.89 0.40 -0.51 0.00 0.00 0.00 175.76 174.09 3i6e s LEU 20 N 1.53 4.46 0.41 0.00 1.43 0.34 -4.88 118.68 121.96 3i6e s LEU 20 Ca 0.14 0.93 -0.22 0.00 -1.03 0.00 0.00 54.13 53.95 3i6e s LEU 20 Cb -0.20 -2.60 -0.11 0.00 0.03 0.00 0.00 46.19 43.32 3i6e s LEU 20 CO -0.17 0.32 0.94 -2.16 0.23 0.00 0.00 176.35 175.51 3i6e s PRO 21 N -1.16 4.29 0.06 1.29 0.04 -1.26 -1.36 135.00 136.90 3i6e s PRO 21 Ca 0.24 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.43 3i6e s PRO 21 Cb -0.16 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3i6e s PRO 21 CO 0.13 0.04 0.00 1.33 0.04 0.00 0.00 177.00 178.54 3i6e n VAL 22 N -0.40 0.61 0.00 -0.36 0.24 -1.26 -1.14 118.33 116.02 3i6e n VAL 22 Ca 0.06 0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 3i6e n VAL 22 Cb 0.53 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 3i6e n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i6e s GLU 38 N -1.78 3.52 0.08 0.00 2.02 -1.26 -0.51 118.70 120.77 3i6e s GLU 38 Ca 0.00 -0.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.80 3i6e s GLU 38 Cb 0.00 -3.21 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 3i6e s GLU 38 CO 0.00 0.73 0.12 0.96 0.02 0.00 0.00 175.26 177.09 3i6e s ILE 39 N -0.88 0.16 -0.14 -1.63 -4.36 -1.00 -4.54 121.20 108.80 3i6e s ILE 39 Ca 0.14 -1.40 -0.00 0.00 -0.26 0.00 0.00 60.65 59.13 3i6e s ILE 39 Cb -0.12 -1.44 -0.01 0.00 1.25 0.00 0.00 42.46 42.14 3i6e s ILE 39 CO 0.03 -0.73 -0.13 -0.69 0.24 0.00 0.00 174.94 173.66 3i6e s VAL 40 N -3.89 2.99 -0.09 8.37 1.01 -0.17 -0.22 120.40 128.41 3i6e s VAL 40 Ca 0.07 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3i6e s VAL 40 Cb 0.06 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3i6e s VAL 40 CO -0.10 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 174.76 3i6e s VAL 41 N 0.56 3.68 -0.01 2.92 1.01 0.24 -0.63 120.40 128.16 3i6e s VAL 41 Ca -0.08 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3i6e s VAL 41 Cb -0.16 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3i6e s VAL 41 CO 0.04 0.58 -0.21 -0.22 0.00 0.00 0.00 175.10 175.29 3i6e s LEU 42 N -0.54 2.41 -0.06 3.92 2.96 0.83 -1.42 118.68 126.78 3i6e s LEU 42 Ca 0.08 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3i6e s LEU 42 Cb -0.12 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.15 3i6e s LEU 42 CO 0.02 0.30 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.70 3i6e s ARG 43 N -0.93 1.04 0.00 1.98 3.52 -0.11 -0.87 118.95 123.59 3i6e s ARG 43 Ca 0.12 -0.14 0.06 0.00 -0.13 0.00 0.00 55.73 55.63 3i6e s ARG 43 Cb -0.10 -1.06 -0.03 0.00 -1.56 0.00 0.00 34.95 32.20 3i6e s ARG 43 CO 0.01 -0.12 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.69 3i6e s LEU 44 N 1.16 2.57 -0.04 -0.88 1.43 0.18 -0.64 118.68 122.46 3i6e s LEU 44 Ca -0.07 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 3i6e s LEU 44 Cb -0.14 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 3i6e s LEU 44 CO -0.01 0.29 -0.21 -0.69 0.23 0.00 0.00 176.35 175.96 3i6e s VAL 45 N -0.82 1.71 0.39 -1.59 1.01 -0.72 -0.70 120.40 119.69 3i6e s VAL 45 Ca 0.13 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3i6e s VAL 45 Cb -0.10 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 3i6e s VAL 45 CO 0.03 0.48 0.56 0.00 0.00 0.00 0.00 175.10 176.18 3i6e s ALA 46 N -0.21 4.07 0.21 5.51 0.00 -0.42 -0.18 121.76 130.73 3i6e s ALA 46 Ca 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 51.96 50.48 3i6e s ALA 46 Cb -0.11 -1.86 0.21 0.00 0.00 0.00 0.00 23.12 21.36 3i6e s ALA 46 CO 0.02 -0.21 1.61 0.93 0.00 0.00 0.00 175.76 178.10 3i6e h GLU 47 N 0.66 -0.06 0.00 0.00 5.08 -1.53 0.15 114.58 118.87 3i6e h GLU 47 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3i6e h GLU 47 Cb 1.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3i6e h GLU 47 CO 0.54 -0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.92 3i6e n GLY 48 N -1.45 -0.79 0.00 -3.84 0.00 -1.26 -4.85 105.19 93.01 3i6e n GLY 48 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i6e n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6e n GLY 49 N -0.95 1.45 3.73 -0.02 0.00 0.51 -5.08 105.19 104.81 3i6e n GLY 49 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3i6e n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e s ALA 50 N -2.24 2.30 0.10 4.61 0.00 -1.26 -4.68 121.76 120.60 3i6e s ALA 50 Ca 0.00 1.14 0.08 0.00 0.00 0.00 0.00 51.96 53.18 3i6e s ALA 50 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3i6e s ALA 50 CO 0.00 -1.67 -0.21 -1.21 0.00 0.00 0.00 175.76 172.67 3i6e s GLU 51 N -3.50 1.12 -0.03 0.00 2.02 -1.26 -1.30 118.70 115.75 3i6e s GLU 51 Ca 0.81 -1.16 0.03 0.00 0.02 0.00 0.00 54.97 54.67 3i6e s GLU 51 Cb -0.35 -1.37 -0.00 0.00 0.10 0.00 0.00 34.13 32.50 3i6e s GLU 51 CO 0.41 0.32 -0.12 0.20 0.02 0.00 0.00 175.26 176.08 3i6e s GLY 52 N -1.91 0.67 0.05 -1.39 0.00 0.13 -4.37 107.32 100.50 3i6e s GLY 52 Ca 0.06 -0.49 0.07 0.00 0.00 0.00 0.00 44.72 44.36 3i6e s GLY 52 CO 0.04 -0.25 -0.16 -1.36 0.00 0.00 0.00 173.10 171.37 3i6e s PHE 53 N 0.03 2.60 0.00 1.90 0.08 -1.26 -0.65 117.98 120.69 3i6e s PHE 53 Ca -0.01 -0.23 -0.05 0.00 0.12 0.00 0.00 56.93 56.76 3i6e s PHE 53 Cb -0.09 -1.46 -0.00 0.00 -0.57 0.00 0.00 43.02 40.90 3i6e s PHE 53 CO 0.01 0.29 0.09 0.20 -0.10 0.00 0.00 175.22 175.71 3i6e s GLY 54 N -1.57 0.08 -0.01 4.36 0.00 -0.05 -3.12 107.32 107.01 3i6e s GLY 54 Ca 0.16 -0.21 0.07 0.00 0.00 0.00 0.00 44.72 44.74 3i6e s GLY 54 CO 0.07 -0.31 -0.23 1.85 0.00 0.00 0.00 173.10 174.47 3i6e s GLU 55 N -1.24 1.85 -0.13 2.90 2.12 -1.26 -0.12 118.70 122.81 3i6e s GLU 55 Ca -0.13 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.38 3i6e s GLU 55 Cb -0.07 -1.80 0.00 0.00 0.26 0.00 0.00 34.13 32.52 3i6e s GLU 55 CO 0.01 0.49 -0.20 0.00 -0.54 0.00 0.00 175.26 175.02 3i6e s ALA 56 N -0.55 2.33 -0.63 6.30 0.00 0.19 -3.66 121.76 125.74 3i6e s ALA 56 Ca 0.09 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.06 3i6e s ALA 56 Cb -0.09 -1.04 0.20 0.00 0.00 0.00 0.00 23.12 22.20 3i6e s ALA 56 CO -0.01 0.06 0.56 0.43 0.00 0.00 0.00 175.76 176.81 3i6e n SER 57 N 3.91 2.69 -4.77 0.00 7.64 -1.26 -1.00 113.62 120.82 3i6e n SER 57 Ca -0.19 -3.16 -0.40 0.00 1.01 0.00 0.00 58.87 56.13 3i6e n SER 57 Cb 0.52 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 3i6e n SER 57 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3i6e s PRO 58 N -1.61 4.33 -0.38 1.43 0.04 -1.26 -4.60 135.00 132.95 3i6e s PRO 58 Ca 0.31 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 3i6e s PRO 58 Cb 0.04 -2.97 0.10 0.00 0.04 0.00 0.00 34.50 31.72 3i6e s PRO 58 CO -0.12 -0.12 0.14 -0.46 0.04 0.00 0.00 177.00 176.48 3i6e s TRP 59 N -1.24 3.63 0.15 0.56 -0.00 -1.15 -4.77 118.94 116.12 3i6e s TRP 59 Ca 0.50 -2.57 -0.08 0.00 -0.00 0.00 0.00 56.10 53.96 3i6e s TRP 59 Cb -0.34 -3.06 0.20 0.00 -0.00 0.00 0.00 33.47 30.27 3i6e s TRP 59 CO 0.45 -0.96 0.91 0.00 -0.00 0.00 0.00 176.95 177.35 3i6e n ALA 60 N 4.49 0.03 0.20 5.86 0.00 -1.01 -0.09 120.51 129.99 3i6e n ALA 60 Ca -0.01 0.61 0.09 0.00 0.00 0.00 0.00 53.44 54.14 3i6e n ALA 60 Cb 0.42 -0.32 0.27 0.00 0.00 0.00 0.00 19.45 19.82 3i6e n ALA 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3i6e h VAL 61 N 0.00 0.42 0.00 0.00 -1.51 -1.95 -3.34 116.25 109.86 3i6e h VAL 61 Ca 0.24 -1.34 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 3i6e h VAL 61 Cb 0.39 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 3i6e h VAL 61 CO -0.59 0.21 0.00 0.49 -1.23 0.00 0.00 177.57 176.45 3i6e n PHE 62 N -3.22 0.00 0.10 5.19 3.72 0.87 -4.87 117.46 119.25 3i6e n PHE 62 Ca 0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.27 3i6e n PHE 62 Cb 0.53 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.94 3i6e n PHE 62 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3i6e h THR 63 N 0.00 1.54 0.00 4.37 1.35 -1.48 -3.49 112.91 115.20 3i6e h THR 63 Ca 0.00 -3.13 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 3i6e h THR 63 Cb 0.00 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 3i6e h THR 63 CO 0.00 0.91 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 3i6e n GLY 64 N 1.50 1.96 3.91 5.82 0.00 -1.08 -4.59 105.19 112.71 3i6e n GLY 64 Ca -0.07 -1.76 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 3i6e n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i6e s THR 65 N -1.57 4.66 0.37 2.61 -4.23 -1.26 -2.41 115.64 113.81 3i6e s THR 65 Ca 0.00 0.14 0.15 0.00 -1.18 0.00 0.00 61.69 60.79 3i6e s THR 65 Cb 0.00 -3.78 0.12 0.00 1.34 0.00 0.00 72.50 70.18 3i6e s THR 65 CO 0.00 -0.76 1.86 1.55 -0.54 0.00 0.00 174.62 176.72 3i6e h PRO 66 N 0.16 0.00 -0.18 3.99 0.13 -1.94 -2.32 132.00 131.85 3i6e h PRO 66 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 3i6e h PRO 66 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3i6e h PRO 66 CO 0.61 0.33 -0.31 0.93 -0.23 0.00 0.00 178.00 179.33 3i6e h GLU 67 N 0.00 0.35 -0.06 0.86 3.07 -1.99 -0.48 114.58 116.33 3i6e h GLU 67 Ca -0.00 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 3i6e h GLU 67 Cb 0.61 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3i6e h GLU 67 CO 0.04 0.63 -0.07 0.00 -1.40 0.00 0.00 179.01 178.22 3i6e h ALA 68 N 1.37 0.09 -0.38 3.43 0.00 -1.82 -2.54 119.26 119.41 3i6e h ALA 68 Ca 0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3i6e h ALA 68 Cb 0.71 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3i6e h ALA 68 CO 0.05 -0.09 0.02 0.77 0.00 0.00 0.00 179.25 180.00 3i6e h SER 69 N -0.28 0.55 0.18 0.00 0.02 -1.36 -0.46 113.55 112.19 3i6e h SER 69 Ca 0.01 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3i6e h SER 69 Cb 0.59 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3i6e h SER 69 CO 0.02 0.61 -0.08 0.22 -1.14 0.00 0.00 176.83 176.45 3i6e h TYR 70 N 0.57 -0.22 -0.62 3.45 3.20 -1.07 -2.49 116.97 119.78 3i6e h TYR 70 Ca 0.12 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 3i6e h TYR 70 Cb 0.33 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 3i6e h TYR 70 CO 0.01 -0.01 0.38 0.00 -1.64 0.00 0.00 178.16 176.91 3i6e h ALA 71 N 0.39 0.78 -0.44 1.82 0.00 -1.31 0.20 119.26 120.71 3i6e h ALA 71 Ca -0.02 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3i6e h ALA 71 Cb 0.31 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 3i6e h ALA 71 CO 0.04 0.25 -0.18 0.00 0.00 0.00 0.00 179.25 179.36 3i6e h ALA 72 N 1.20 0.17 0.28 0.00 0.00 -0.97 0.73 119.26 120.67 3i6e h ALA 72 Ca 0.22 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3i6e h ALA 72 Cb -0.05 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3i6e h ALA 72 CO -0.04 -0.53 -0.13 -0.07 0.00 0.00 0.00 179.25 178.48 3i6e h LEU 73 N -0.09 -0.31 -0.85 0.00 3.38 -1.06 0.24 115.31 116.62 3i6e h LEU 73 Ca 0.21 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3i6e h LEU 73 Cb 0.41 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3i6e h LEU 73 CO -0.50 0.11 0.54 -0.78 0.09 0.00 0.00 178.44 177.90 3i6e h ASP 74 N -0.82 0.88 0.00 -0.43 3.58 -0.38 -0.85 116.42 118.41 3i6e h ASP 74 Ca -0.04 -0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.15 3i6e h ASP 74 Cb 0.51 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 3i6e h ASP 74 CO 0.06 0.60 -1.95 -1.14 -2.88 0.00 0.00 179.24 173.93 3i6e n ARG 75 N -4.57 0.41 -0.00 0.28 0.63 0.23 -4.51 116.66 109.12 3i6e n ARG 75 Ca 0.11 0.11 -0.16 0.00 -0.92 0.00 0.00 57.85 56.99 3i6e n ARG 75 Cb 0.11 -1.29 -0.14 0.00 0.45 0.00 0.00 32.46 31.59 3i6e n ARG 75 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i6e n TYR 76 N -3.14 1.18 0.00 -0.14 4.01 -0.79 -4.41 117.16 113.88 3i6e n TYR 76 Ca -0.30 0.31 -0.02 0.00 -0.16 0.00 0.00 57.90 57.73 3i6e n TYR 76 Cb 0.80 -1.18 -0.11 0.00 -0.31 0.00 0.00 39.34 38.55 3i6e n TYR 76 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3i6e n LEU 77 N -3.31 0.71 -0.11 7.72 4.77 0.78 -4.34 117.00 123.22 3i6e n LEU 77 Ca -0.25 0.32 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 3i6e n LEU 77 Cb 1.05 0.14 0.01 0.00 -2.33 0.00 0.00 43.42 42.29 3i6e n LEU 77 CO 0.44 0.22 0.74 -0.09 -1.33 0.00 0.00 177.39 177.37 3i6e h ARG 78 N 0.00 -0.08 0.00 3.23 2.43 -1.36 -0.47 114.38 118.13 3i6e h ARG 78 Ca -0.22 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.94 3i6e h ARG 78 Cb 1.70 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.27 3i6e h ARG 78 CO 0.05 -0.06 -0.05 -1.35 -1.51 0.00 0.00 179.97 177.05 3i6e h PRO 79 N -0.09 0.00 0.00 0.20 0.11 -1.77 -1.67 132.00 128.78 3i6e h PRO 79 Ca 0.19 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.24 3i6e h PRO 79 Cb 0.38 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3i6e h PRO 79 CO -0.45 0.05 -0.30 1.25 -0.21 0.00 0.00 178.00 178.35 3i6e h LEU 80 N 0.00 0.00 0.01 2.35 5.85 -1.33 -3.38 115.31 118.81 3i6e h LEU 80 Ca -0.00 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 58.32 3i6e h LEU 80 Cb 0.10 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3i6e h LEU 80 CO 0.01 0.30 -2.46 0.52 -0.34 0.00 0.00 178.44 176.46 3i6e n VAL 81 N -3.19 1.51 -1.71 1.05 0.31 -0.48 -4.76 118.33 111.06 3i6e n VAL 81 Ca 0.03 -0.53 -0.43 0.00 -0.01 0.00 0.00 64.34 63.40 3i6e n VAL 81 Cb 0.63 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.99 3i6e n VAL 81 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i6e n ILE 82 N -3.50 0.07 0.00 2.52 2.08 -0.68 -1.77 119.36 118.08 3i6e n ILE 82 Ca -0.47 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 62.83 3i6e n ILE 82 Cb 0.97 -1.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.90 3i6e n ILE 82 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i6e n GLY 83 N 3.96 2.60 3.83 7.39 0.00 0.22 -4.96 105.19 118.22 3i6e n GLY 83 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3i6e n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i6e s ARG 84 N -0.60 2.99 0.07 1.61 1.81 -0.73 -4.59 118.95 119.51 3i6e s ARG 84 Ca 0.00 0.90 -0.20 0.00 -1.72 0.00 0.00 55.73 54.71 3i6e s ARG 84 Cb 0.00 -2.00 -0.07 0.00 -0.45 0.00 0.00 34.95 32.43 3i6e s ARG 84 CO 0.00 -1.05 0.59 1.03 -0.68 0.00 0.00 175.30 175.19 3i6e s ARG 85 N -5.07 4.25 0.49 3.54 0.52 -1.26 -0.73 118.95 120.69 3i6e s ARG 85 Ca 0.58 0.77 0.24 0.00 -0.52 0.00 0.00 55.73 56.80 3i6e s ARG 85 Cb -0.14 -3.25 1.31 0.00 0.52 0.00 0.00 34.95 33.39 3i6e s ARG 85 CO 0.55 0.60 1.92 0.28 0.02 0.00 0.00 175.30 178.67 3i6e h VAL 86 N 3.60 0.67 0.00 3.52 2.07 -1.03 -0.96 116.25 124.13 3i6e h VAL 86 Ca -0.49 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3i6e h VAL 86 Cb 1.21 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3i6e h VAL 86 CO 0.64 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.87 3i6e n GLY 87 N -1.62 -1.27 2.11 2.17 0.00 -0.39 -3.57 105.19 102.62 3i6e n GLY 87 Ca 0.15 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3i6e n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i6e n ASP 88 N -1.35 4.48 -0.20 1.61 8.00 -0.36 -4.67 116.55 124.05 3i6e n ASP 88 Ca 0.11 -3.46 0.01 0.00 0.71 0.00 0.00 54.79 52.16 3i6e n ASP 88 Cb 0.25 -0.84 0.11 0.00 -0.02 0.00 0.00 41.12 40.62 3i6e n ASP 88 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3i6e h ARG 89 N 1.09 0.20 -0.29 -1.24 2.43 -1.75 -0.08 114.38 114.74 3i6e h ARG 89 Ca 0.56 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.77 3i6e h ARG 89 Cb 2.25 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 31.71 3i6e h ARG 89 CO 1.07 0.13 -0.02 0.28 -1.51 0.00 0.00 179.97 179.92 3i6e h VAL 90 N 0.21 0.76 -0.41 0.20 2.07 -1.93 0.10 116.25 117.25 3i6e h VAL 90 Ca 0.33 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.78 3i6e h VAL 90 Cb 0.51 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3i6e h VAL 90 CO -0.45 0.01 0.09 0.00 0.02 0.00 0.00 177.57 177.24 3i6e h ALA 91 N 1.26 0.55 -0.28 1.67 0.00 -1.76 -0.61 119.26 120.10 3i6e h ALA 91 Ca 0.14 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i6e h ALA 91 Cb 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3i6e h ALA 91 CO -0.26 0.24 0.05 0.82 0.00 0.00 0.00 179.25 180.10 3i6e h ILE 92 N 0.53 0.87 -0.17 0.00 2.04 -0.51 -0.50 117.51 119.77 3i6e h ILE 92 Ca 0.13 -0.05 -0.13 0.00 1.00 0.00 0.00 64.86 65.81 3i6e h ILE 92 Cb 0.33 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3i6e h ILE 92 CO 0.00 0.03 -0.43 0.24 0.00 0.00 0.00 178.15 177.99 3i6e h MET 93 N 0.15 0.41 -0.15 2.37 2.86 -0.69 0.31 114.93 120.19 3i6e h MET 93 Ca 0.13 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3i6e h MET 93 Cb 0.13 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3i6e h MET 93 CO -0.17 0.77 0.09 0.22 1.06 0.00 0.00 176.91 178.87 3i6e h ASP 94 N 0.33 0.18 -0.41 1.22 3.58 -0.77 -2.16 116.42 118.39 3i6e h ASP 94 Ca 0.03 -0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.28 3i6e h ASP 94 Cb 0.90 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 3i6e h ASP 94 CO 0.08 0.18 -0.27 -0.33 -2.88 0.00 0.00 179.24 176.02 3i6e h GLU 95 N 0.16 0.93 -0.74 0.28 5.08 -0.86 -3.15 114.58 116.28 3i6e h GLU 95 Ca 0.05 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 58.01 3i6e h GLU 95 Cb 0.04 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3i6e h GLU 95 CO -0.01 1.08 0.49 0.00 -1.00 0.00 0.00 179.01 179.57 3i6e h ALA 96 N 0.89 1.52 -0.44 3.43 0.00 -0.19 -0.62 119.26 123.85 3i6e h ALA 96 Ca 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3i6e h ALA 96 Cb 0.84 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3i6e h ALA 96 CO 0.07 0.43 0.17 0.00 0.00 0.00 0.00 179.25 179.92 3i6e h ALA 97 N 1.55 1.48 0.00 0.00 0.00 -1.35 -2.85 119.26 118.09 3i6e h ALA 97 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i6e h ALA 97 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3i6e h ALA 97 CO -0.07 0.40 -1.04 0.54 0.00 0.00 0.00 179.25 179.08 3i6e n ARG 98 N -4.36 0.53 0.27 0.00 1.74 -0.86 -4.18 116.66 109.79 3i6e n ARG 98 Ca 0.03 0.07 0.15 0.00 -0.77 0.00 0.00 57.85 57.34 3i6e n ARG 98 Cb 0.15 -1.75 0.69 0.00 -1.02 0.00 0.00 32.46 30.53 3i6e n ARG 98 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i6e h ALA 99 N 2.14 1.05 -2.30 7.54 0.00 -0.88 -3.44 119.26 123.36 3i6e h ALA 99 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3i6e h ALA 99 Cb 0.93 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.49 3i6e h ALA 99 CO 0.00 0.10 -0.02 0.54 0.00 0.00 0.00 179.25 179.86 3i6e s VAL 100 N -3.80 0.00 0.31 0.00 0.11 -1.24 -4.94 120.40 110.84 3i6e s VAL 100 Ca -0.00 -0.03 -0.27 0.00 -2.93 0.00 0.00 61.98 58.75 3i6e s VAL 100 Cb 0.10 -0.82 -0.09 0.00 -1.53 0.00 0.00 36.38 34.04 3i6e s VAL 100 CO 0.56 -0.02 1.00 0.00 -3.33 0.00 0.00 175.10 173.32 3i6e s ALA 101 N 0.05 3.25 0.00 1.54 0.00 -1.26 -4.83 121.76 120.51 3i6e s ALA 101 Ca -0.02 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3i6e s ALA 101 Cb -0.04 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3i6e s ALA 101 CO 0.02 0.01 0.00 0.72 0.00 0.00 0.00 175.76 176.51 3i6e n HIS 102 N 0.75 0.00 -3.98 0.00 8.25 -1.26 -4.89 115.22 114.10 3i6e n HIS 102 Ca 0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 3i6e n HIS 102 Cb 0.48 0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.62 3i6e n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i6e h THR 104 N -1.80 0.23 -0.20 0.00 1.35 -1.87 -2.19 112.91 108.44 3i6e h THR 104 Ca -0.61 -0.41 -0.09 0.00 -0.55 0.00 0.00 66.41 64.75 3i6e h THR 104 Cb 1.38 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3i6e h THR 104 CO 0.65 0.05 -0.24 -0.33 -0.25 0.00 0.00 175.52 175.41 3i6e h GLU 105 N 0.00 0.51 -0.83 4.72 3.07 -1.85 -0.63 114.58 119.57 3i6e h GLU 105 Ca -0.00 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 58.54 3i6e h GLU 105 Cb 0.32 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 3i6e h GLU 105 CO 0.01 0.87 0.40 0.00 -1.40 0.00 0.00 179.01 178.89 3i6e h ALA 106 N 0.63 1.13 -0.22 3.43 0.00 -1.72 0.41 119.26 122.92 3i6e h ALA 106 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3i6e h ALA 106 Cb 0.80 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3i6e h ALA 106 CO 0.06 0.66 -0.27 0.87 0.00 0.00 0.00 179.25 180.57 3i6e h LYS 107 N 1.19 0.42 -0.50 0.00 1.57 -1.29 -0.14 116.57 117.83 3i6e h LYS 107 Ca 0.29 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 3i6e h LYS 107 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3i6e h LYS 107 CO -0.04 0.65 -0.19 0.00 -0.57 0.00 0.00 179.45 179.31 3i6e h ALA 108 N 1.35 0.72 -0.55 3.86 0.00 -0.33 -1.44 119.26 122.87 3i6e h ALA 108 Ca 0.05 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3i6e h ALA 108 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3i6e h ALA 108 CO 0.05 0.67 0.20 0.00 0.00 0.00 0.00 179.25 180.17 3i6e h ALA 109 N 0.91 0.72 -0.22 0.00 0.00 -0.39 -0.40 119.26 119.88 3i6e h ALA 109 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3i6e h ALA 109 Cb 0.76 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3i6e h ALA 109 CO 0.06 0.35 0.11 1.25 0.00 0.00 0.00 179.25 181.02 3i6e h LEU 110 N 0.76 0.28 -1.02 0.00 5.85 -0.85 -0.79 115.31 119.54 3i6e h LEU 110 Ca 0.18 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3i6e h LEU 110 Cb 0.24 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3i6e h LEU 110 CO -0.01 0.32 0.39 -0.78 -0.34 0.00 0.00 178.44 178.02 3i6e h ASP 111 N 0.23 0.98 -0.52 1.25 3.58 -1.10 -1.06 116.42 119.77 3i6e h ASP 111 Ca 0.08 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 3i6e h ASP 111 Cb 0.11 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 3i6e h ASP 111 CO -0.01 0.81 0.11 0.28 -2.88 0.00 0.00 179.24 177.55 3i6e h SER 112 N 1.08 0.80 -0.40 2.28 0.02 -0.70 -1.61 113.55 115.02 3i6e h SER 112 Ca 0.27 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 3i6e h SER 112 Cb 0.07 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3i6e h SER 112 CO -0.04 0.84 -0.18 0.00 -1.14 0.00 0.00 176.83 176.31 3i6e h ALA 113 N 0.99 0.82 -0.53 3.77 0.00 -0.79 0.16 119.26 123.68 3i6e h ALA 113 Ca 0.16 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3i6e h ALA 113 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3i6e h ALA 113 CO 0.00 0.65 0.04 -0.07 0.00 0.00 0.00 179.25 179.87 3i6e h LEU 114 N 0.78 0.84 -0.07 0.00 3.38 -1.03 0.12 115.31 119.32 3i6e h LEU 114 Ca 0.11 -0.20 -0.25 0.00 0.09 0.00 0.00 57.88 57.64 3i6e h LEU 114 Cb 0.72 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.26 3i6e h LEU 114 CO 0.06 0.88 -0.93 -0.07 0.09 0.00 0.00 178.44 178.46 3i6e h LEU 115 N 0.82 0.92 -0.44 1.67 3.38 -1.15 -1.22 115.31 119.29 3i6e h LEU 115 Ca 0.16 -0.68 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 3i6e h LEU 115 Cb 0.44 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3i6e h LEU 115 CO 0.02 1.48 0.21 -0.78 0.09 0.00 0.00 178.44 179.45 3i6e h ASP 116 N 0.46 0.57 0.04 -0.43 3.58 -0.74 0.13 116.42 120.03 3i6e h ASP 116 Ca -0.10 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.22 3i6e h ASP 116 Cb 1.57 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.48 3i6e h ASP 116 CO 0.19 0.54 -0.02 0.25 -2.88 0.00 0.00 179.24 177.32 3i6e h LEU 117 N 0.56 -0.05 -1.48 2.28 5.85 -0.76 0.09 115.31 121.80 3i6e h LEU 117 Ca 0.15 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3i6e h LEU 117 Cb 0.12 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3i6e h LEU 117 CO -0.02 0.09 0.25 0.00 -0.34 0.00 0.00 178.44 178.41 3i6e h ALA 118 N 0.78 1.61 -0.38 1.25 0.00 -1.06 -0.63 119.26 120.82 3i6e h ALA 118 Ca -0.01 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3i6e h ALA 118 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3i6e h ALA 118 CO 0.01 0.33 -0.37 0.78 0.00 0.00 0.00 179.25 180.01 3i6e h GLY 119 N 0.67 0.99 0.87 0.00 0.00 -0.36 -1.93 103.07 103.31 3i6e h GLY 119 Ca 0.16 -0.99 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 3i6e h GLY 119 CO -0.03 0.90 -0.01 3.21 0.00 0.00 0.00 176.54 180.61 3i6e h ARG 120 N 0.75 0.51 -0.36 4.80 2.47 -0.31 0.13 114.38 122.38 3i6e h ARG 120 Ca 0.07 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3i6e h ARG 120 Cb 0.95 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.21 3i6e h ARG 120 CO 0.09 0.67 0.21 0.82 0.56 0.00 0.00 179.97 182.32 3i6e h ILE 121 N 0.30 1.13 -0.02 2.04 1.08 -1.11 -3.05 117.51 117.88 3i6e h ILE 121 Ca 0.08 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3i6e h ILE 121 Cb 0.44 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 3i6e h ILE 121 CO 0.02 0.13 -0.09 -1.54 -0.69 0.00 0.00 178.15 175.98 3i6e n SER 122 N -4.79 1.64 -3.30 1.72 3.41 -0.73 -4.97 113.62 106.60 3i6e n SER 122 Ca -0.00 -1.43 -0.16 0.00 -0.26 0.00 0.00 58.87 57.02 3i6e n SER 122 Cb 0.06 0.06 0.08 0.00 -0.26 0.00 0.00 64.21 64.15 3i6e n SER 122 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i6e n ASN 123 N 0.14 -4.51 -3.91 4.04 5.15 0.25 -5.03 115.26 111.39 3i6e n ASN 123 Ca 0.16 -0.66 -0.11 0.00 -0.60 0.00 0.00 54.58 53.37 3i6e n ASN 123 Cb 0.40 -5.11 -0.13 0.00 -0.53 0.00 0.00 39.78 34.41 3i6e n ASN 123 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i6e s LEU 124 N -5.79 2.04 0.63 1.20 1.43 0.02 -4.83 118.68 113.38 3i6e s LEU 124 Ca 0.25 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.02 3i6e s LEU 124 Cb -0.03 0.09 -0.02 0.00 0.03 0.00 0.00 46.19 46.25 3i6e s LEU 124 CO 0.72 -0.13 1.07 -2.16 0.23 0.00 0.00 176.35 176.09 3i6e s PRO 125 N -0.58 3.10 0.28 1.29 0.04 -1.20 -0.93 135.00 137.00 3i6e s PRO 125 Ca -0.06 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.22 3i6e s PRO 125 Cb -0.04 -2.00 0.55 0.00 0.04 0.00 0.00 34.50 33.05 3i6e s PRO 125 CO -0.00 -0.99 1.82 0.28 0.04 0.00 0.00 177.00 178.15 3i6e h VAL 126 N 0.17 0.88 0.00 -0.36 2.07 -1.58 -0.64 116.25 116.78 3i6e h VAL 126 Ca -0.46 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3i6e h VAL 126 Cb 1.23 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3i6e h VAL 126 CO 0.56 0.17 -0.00 4.11 0.02 0.00 0.00 177.57 182.43 3i6e h TRP 127 N 0.91 0.00 0.00 1.57 5.08 -1.87 0.12 115.95 121.76 3i6e h TRP 127 Ca 0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.46 3i6e h TRP 127 Cb 0.53 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.69 3i6e h TRP 127 CO -0.02 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.14 3i6e h ALA 128 N 2.00 1.00 -0.01 0.11 0.00 -1.38 0.24 119.26 121.22 3i6e h ALA 128 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i6e h ALA 128 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3i6e h ALA 128 CO 0.00 0.00 -0.40 1.28 0.00 0.00 0.00 179.25 180.13 3i6e n LEU 129 N -2.94 1.75 -0.98 0.00 4.77 0.40 -4.10 117.00 115.90 3i6e n LEU 129 Ca 0.01 -0.61 0.08 0.00 -0.03 0.00 0.00 56.01 55.45 3i6e n LEU 129 Cb 0.31 -0.04 0.25 0.00 -2.33 0.00 0.00 43.42 41.61 3i6e n LEU 129 CO 0.26 0.32 0.71 0.18 -1.33 0.00 0.00 177.39 177.54 3i6e n LEU 130 N -0.17 3.81 0.00 2.23 4.77 -0.66 -4.93 117.00 122.05 3i6e n LEU 130 Ca 0.10 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.50 3i6e n LEU 130 Cb 0.43 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3i6e n LEU 130 CO 0.27 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3i6e n GLY 131 N 0.16 0.91 0.00 -0.72 0.00 -1.17 -4.87 105.19 99.50 3i6e n GLY 131 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3i6e n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6e n GLY 132 N -0.85 -0.92 3.40 -0.02 0.00 -0.02 -5.01 105.19 101.77 3i6e n GLY 132 Ca 0.00 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 3i6e n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i6e s LYS 133 N -0.28 1.42 0.00 1.61 -2.85 -1.26 -3.87 119.74 114.52 3i6e s LYS 133 Ca 0.00 -1.38 0.00 0.00 -1.00 0.00 0.00 55.97 53.59 3i6e s LYS 133 Cb 0.00 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 3i6e s LYS 133 CO 0.00 0.44 0.20 0.00 0.10 0.00 0.00 175.35 176.09 3i6e s ARG 135 N -0.58 0.62 0.05 0.00 1.70 -1.23 -5.04 118.95 114.45 3i6e s ARG 135 Ca 0.00 0.34 0.22 0.00 -0.47 0.00 0.00 55.73 55.82 3i6e s ARG 135 Cb 0.00 0.29 -0.08 0.00 -0.57 0.00 0.00 34.95 34.59 3i6e s ARG 135 CO 0.00 -0.13 0.88 -0.25 -1.08 0.00 0.00 175.30 174.72 3i6e n ASP 136 N 2.17 0.53 -4.09 -2.89 8.00 -1.26 -4.82 116.55 114.19 3i6e n ASP 136 Ca -0.16 -0.16 -0.08 0.00 0.71 0.00 0.00 54.79 55.09 3i6e n ASP 136 Cb 0.57 1.07 -0.10 0.00 -0.02 0.00 0.00 41.12 42.64 3i6e n ASP 136 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i6e s THR 137 N -3.28 0.16 -0.03 -3.53 -4.23 -1.26 -1.35 115.64 102.12 3i6e s THR 137 Ca 0.01 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3i6e s THR 137 Cb 0.14 -1.73 0.03 0.00 1.34 0.00 0.00 72.50 72.28 3i6e s THR 137 CO 0.83 -0.72 0.01 -0.63 -0.54 0.00 0.00 174.62 173.57 3i6e s ILE 138 N -3.97 0.08 0.37 2.99 1.01 -0.67 -4.94 121.20 116.08 3i6e s ILE 138 Ca 0.14 0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.66 3i6e s ILE 138 Cb 0.07 -0.20 -0.11 0.00 0.01 0.00 0.00 42.46 42.23 3i6e s ILE 138 CO -0.05 0.13 1.51 -2.84 0.00 0.00 0.00 174.94 173.69 3i6e s PRO 139 N 1.13 4.10 -0.03 2.79 0.02 -1.26 -0.03 135.00 141.72 3i6e s PRO 139 Ca -0.08 2.58 -0.02 0.00 0.02 0.00 0.00 61.00 63.50 3i6e s PRO 139 Cb -0.13 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 3i6e s PRO 139 CO -0.02 -0.56 0.09 -1.17 -0.33 0.00 0.00 177.00 175.01 3i6e s LEU 140 N -1.89 3.98 -0.01 -5.54 2.96 -0.59 -1.42 118.68 116.18 3i6e s LEU 140 Ca 0.54 0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.73 3i6e s LEU 140 Cb -0.47 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 3i6e s LEU 140 CO 0.61 0.30 -0.21 -0.55 -1.32 0.00 0.00 176.35 175.19 3i6e s SER 141 N -1.57 2.45 -0.04 3.68 0.15 0.20 -3.59 113.70 114.98 3i6e s SER 141 Ca 0.21 -0.40 0.06 0.00 0.70 0.00 0.00 55.95 56.52 3i6e s SER 141 Cb -0.12 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 63.91 3i6e s SER 141 CO 0.12 0.24 -0.22 0.00 1.20 0.00 0.00 173.24 174.57 3i6e s SER 143 N -0.51 7.01 -0.39 0.00 0.01 -1.26 -1.33 113.70 117.23 3i6e s SER 143 Ca 0.07 1.56 0.01 0.00 1.31 0.00 0.00 55.95 58.90 3i6e s SER 143 Cb -0.11 -2.48 0.11 0.00 0.21 0.00 0.00 66.02 63.75 3i6e s SER 143 CO 0.01 -0.18 0.13 -0.63 0.41 0.00 0.00 173.24 172.98 3i6e s ILE 144 N -1.87 2.71 -0.03 1.44 -1.09 0.02 -4.86 121.20 117.51 3i6e s ILE 144 Ca 0.53 -2.34 0.05 0.00 -2.23 0.00 0.00 60.65 56.67 3i6e s ILE 144 Cb -0.13 -2.92 0.07 0.00 -1.58 0.00 0.00 42.46 37.90 3i6e s ILE 144 CO 0.18 -0.66 0.95 0.00 -1.23 0.00 0.00 174.94 174.19 3i6e n ALA 145 N 4.27 1.89 -2.55 9.38 0.00 -1.26 -1.25 120.51 130.98 3i6e n ALA 145 Ca 0.02 -1.33 -0.42 0.00 0.00 0.00 0.00 53.44 51.71 3i6e n ALA 145 Cb 0.41 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 3i6e n ALA 145 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i6e s ASN 146 N -1.31 7.21 0.26 0.00 3.84 -1.26 -4.89 114.94 118.80 3i6e s ASN 146 Ca 0.08 1.85 0.21 0.00 0.21 0.00 0.00 52.86 55.21 3i6e s ASN 146 Cb 0.07 -2.57 1.00 0.00 -0.55 0.00 0.00 41.25 39.20 3i6e s ASN 146 CO 0.01 -0.38 1.63 -0.81 -2.79 0.00 0.00 177.10 174.76 3i6e n PRO 147 N 3.95 0.15 -3.60 0.43 -0.04 -1.26 -3.70 135.00 130.92 3i6e n PRO 147 Ca 0.08 0.54 -0.40 0.00 -0.04 0.00 0.00 63.50 63.67 3i6e n PRO 147 Cb 0.48 -1.88 -0.08 0.00 -0.04 0.00 0.00 33.50 31.98 3i6e n PRO 147 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i6e s ASP 148 N -4.01 5.67 0.62 3.54 2.15 -1.26 -4.95 116.67 118.43 3i6e s ASP 148 Ca 0.01 -2.51 0.33 0.00 0.43 0.00 0.00 52.55 50.80 3i6e s ASP 148 Cb 0.07 -1.96 1.87 0.00 -0.30 0.00 0.00 42.92 42.60 3i6e s ASP 148 CO 0.26 -0.51 2.17 0.15 -0.17 0.00 0.00 175.17 177.07 3i6e h PHE 149 N 7.63 0.00 -0.66 -5.34 3.57 -2.00 -1.87 116.94 118.28 3i6e h PHE 149 Ca -0.05 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 3i6e h PHE 149 Cb 1.01 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 3i6e h PHE 149 CO 0.74 0.00 0.30 -0.44 -2.23 0.00 0.00 178.31 176.68 3i6e h ASP 150 N 0.00 0.87 -0.58 0.41 3.32 -1.92 -1.07 116.42 117.45 3i6e h ASP 150 Ca 0.04 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3i6e h ASP 150 Cb 0.31 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3i6e h ASP 150 CO -0.00 0.78 0.31 0.00 -1.72 0.00 0.00 179.24 178.61 3i6e h ALA 151 N 1.13 1.41 0.00 3.45 0.00 -1.74 -2.07 119.26 121.45 3i6e h ALA 151 Ca 0.22 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3i6e h ALA 151 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i6e h ALA 151 CO -0.02 0.48 -0.42 -0.44 0.00 0.00 0.00 179.25 178.84 3i6e h ASP 152 N 0.85 0.00 -0.14 0.00 3.32 -1.45 -1.53 116.42 117.46 3i6e h ASP 152 Ca 0.21 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 3i6e h ASP 152 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3i6e h ASP 152 CO -0.03 0.42 -0.29 0.40 -1.72 0.00 0.00 179.24 178.02 3i6e h ILE 153 N 0.00 1.28 -0.35 0.35 2.04 -0.53 0.33 117.51 120.63 3i6e h ILE 153 Ca -0.00 -1.40 -0.11 0.00 1.00 0.00 0.00 64.86 64.34 3i6e h ILE 153 Cb 1.09 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3i6e h ILE 153 CO 0.06 0.45 -0.22 0.00 0.00 0.00 0.00 178.15 178.43 3i6e h ALA 154 N 1.14 0.50 -0.44 1.87 0.00 -1.21 -1.62 119.26 119.49 3i6e h ALA 154 Ca 0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3i6e h ALA 154 Cb 0.78 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3i6e h ALA 154 CO 0.06 0.47 0.24 1.25 0.00 0.00 0.00 179.25 181.28 3i6e h LEU 155 N 0.55 0.55 -1.78 0.00 5.85 -0.86 -1.45 115.31 118.18 3i6e h LEU 155 Ca 0.07 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3i6e h LEU 155 Cb 0.78 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3i6e h LEU 155 CO 0.06 0.49 -0.16 0.24 -0.34 0.00 0.00 178.44 178.73 3i6e h MET 156 N 0.58 0.00 -0.32 1.25 2.86 -0.23 0.36 114.93 119.43 3i6e h MET 156 Ca 0.16 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3i6e h MET 156 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3i6e h MET 156 CO -0.02 0.16 0.11 0.93 1.06 0.00 0.00 176.91 179.14 3i6e h GLU 157 N 0.00 0.49 -0.21 1.72 4.39 -0.28 -0.97 114.58 119.71 3i6e h GLU 157 Ca -0.00 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 3i6e h GLU 157 Cb 0.33 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3i6e h GLU 157 CO 0.02 0.52 -0.07 -0.09 -1.16 0.00 0.00 179.01 178.23 3i6e h ARG 158 N 0.36 0.42 -0.56 2.33 2.43 -0.53 -2.58 114.38 116.26 3i6e h ARG 158 Ca 0.10 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3i6e h ARG 158 Cb 0.23 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 3i6e h ARG 158 CO -0.00 0.69 0.29 -0.07 -1.51 0.00 0.00 179.97 179.36 3i6e h LEU 159 N 0.13 0.42 -0.92 3.80 3.38 -0.20 0.39 115.31 122.31 3i6e h LEU 159 Ca 0.05 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3i6e h LEU 159 Cb 0.55 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3i6e h LEU 159 CO 0.03 0.28 -0.01 -0.09 0.09 0.00 0.00 178.44 178.74 3i6e h ARG 160 N 0.56 0.78 -0.37 1.13 2.43 -1.19 0.25 114.38 117.98 3i6e h ARG 160 Ca 0.25 -0.21 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 3i6e h ARG 160 Cb 0.16 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3i6e h ARG 160 CO -0.17 0.80 -0.35 0.00 -1.51 0.00 0.00 179.97 178.74 3i6e h ALA 161 N 1.26 0.68 0.00 2.80 0.00 -0.89 -2.59 119.26 120.52 3i6e h ALA 161 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i6e h ALA 161 Cb 0.46 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i6e h ALA 161 CO 0.02 0.67 0.00 -0.25 0.00 0.00 0.00 179.25 179.69 3i6e n ASP 162 N -4.06 0.00 0.00 0.00 9.92 0.13 -4.87 116.55 117.67 3i6e n ASP 162 Ca -0.01 -0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 3i6e n ASP 162 Cb 0.52 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 3i6e n ASP 162 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i6e n GLY 163 N 0.44 0.70 3.68 0.44 0.00 -0.77 -2.99 105.19 106.68 3i6e n GLY 163 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3i6e n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6e s VAL 164 N -2.48 3.73 -2.10 1.61 1.01 0.01 -3.63 120.40 118.55 3i6e s VAL 164 Ca 0.00 1.02 0.18 0.00 0.00 0.00 0.00 61.98 63.19 3i6e s VAL 164 Cb 0.00 -3.66 0.25 0.00 0.00 0.00 0.00 36.38 32.97 3i6e s VAL 164 CO 0.00 -0.04 1.18 0.61 0.00 0.00 0.00 175.10 176.85 3i6e n GLY 165 N 3.80 1.05 3.12 4.51 0.00 -1.26 -4.37 105.19 112.04 3i6e n GLY 165 Ca 0.15 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 3i6e n GLY 165 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6e s LEU 166 N -1.39 2.09 0.03 0.99 1.43 -1.24 -1.58 118.68 119.01 3i6e s LEU 166 Ca 0.26 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3i6e s LEU 166 Cb 0.17 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 3i6e s LEU 166 CO 0.24 0.11 0.05 0.27 0.23 0.00 0.00 176.35 177.26 3i6e s ILE 167 N -0.54 0.13 -0.18 -0.59 -4.36 -1.06 -2.31 121.20 112.30 3i6e s ILE 167 Ca 0.04 -1.04 -0.00 0.00 -0.26 0.00 0.00 60.65 59.38 3i6e s ILE 167 Cb -0.06 -0.68 0.04 0.00 1.25 0.00 0.00 42.46 43.02 3i6e s ILE 167 CO 0.00 -0.57 -0.05 -0.75 0.24 0.00 0.00 174.94 173.81 3i6e s LYS 168 N -2.16 1.44 -0.19 0.37 2.20 -0.44 -1.10 119.74 119.85 3i6e s LYS 168 Ca -0.09 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 3i6e s LYS 168 Cb -0.04 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.18 3i6e s LYS 168 CO -0.03 -0.46 1.08 -1.17 -0.36 0.00 0.00 175.35 174.41 3i6e s LEU 169 N 1.61 4.14 -0.32 5.43 2.96 0.43 -0.80 118.68 132.13 3i6e s LEU 169 Ca -0.00 1.48 -0.29 0.00 -0.22 0.00 0.00 54.13 55.10 3i6e s LEU 169 Cb -0.16 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.01 3i6e s LEU 169 CO -0.08 -0.65 1.06 -0.75 -1.32 0.00 0.00 176.35 174.61 3i6e s LYS 170 N 3.04 4.06 0.41 1.98 2.20 -0.38 -1.49 119.74 129.56 3i6e s LYS 170 Ca 0.47 1.05 0.07 0.00 -0.36 0.00 0.00 55.97 57.20 3i6e s LYS 170 Cb -0.17 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 3i6e s LYS 170 CO 0.10 -0.88 0.18 0.95 -0.36 0.00 0.00 175.35 175.33 3i6e s THR 171 N 3.60 2.35 0.00 3.43 -4.23 -0.08 -4.77 115.64 115.94 3i6e s THR 171 Ca 0.45 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3i6e s THR 171 Cb -0.12 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.72 3i6e s THR 171 CO 0.15 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 3i6e n GLY 172 N -1.23 0.74 0.06 3.99 0.00 -1.26 -4.29 105.19 103.20 3i6e n GLY 172 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3i6e n GLY 172 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i6e n PHE 173 N -2.18 0.50 -2.22 1.61 1.16 -1.26 -4.72 117.46 110.34 3i6e n PHE 173 Ca 0.00 0.15 0.00 0.00 -1.87 0.00 0.00 57.45 55.73 3i6e n PHE 173 Cb 0.02 -0.62 0.00 0.00 -1.61 0.00 0.00 39.48 37.27 3i6e n PHE 173 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3i6e n ARG 174 N -2.07 3.03 -2.02 3.97 1.74 -1.26 -5.14 116.66 114.90 3i6e n ARG 174 Ca 0.03 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.83 3i6e n ARG 174 Cb 0.44 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.94 3i6e n ARG 174 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3i6e s ASP 175 N 1.00 5.09 0.30 0.55 3.84 -1.26 -4.97 116.67 121.22 3i6e s ASP 175 Ca 0.00 0.85 -0.01 0.00 -0.00 0.00 0.00 52.55 53.39 3i6e s ASP 175 Cb 0.00 -1.57 0.46 0.00 -1.38 0.00 0.00 42.92 40.44 3i6e s ASP 175 CO 0.00 -1.51 1.92 -0.74 -0.00 0.00 0.00 175.17 174.85 3i6e h HIS 176 N -0.69 0.92 -1.01 2.11 -0.00 -2.01 -2.55 115.15 111.93 3i6e h HIS 176 Ca -0.45 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 59.96 3i6e h HIS 176 Cb 1.29 -0.30 -0.07 0.00 -0.00 0.00 0.00 27.41 28.33 3i6e h HIS 176 CO 0.41 0.65 0.65 0.00 -0.00 0.00 0.00 177.93 179.65 3i6e h ALA 177 N 1.45 1.38 -0.65 5.26 0.00 -2.00 -1.43 119.26 123.28 3i6e h ALA 177 Ca 0.24 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3i6e h ALA 177 Cb 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3i6e h ALA 177 CO -0.04 0.48 0.43 0.35 0.00 0.00 0.00 179.25 180.47 3i6e h PHE 178 N 1.21 0.77 -0.11 0.00 3.57 -1.84 -0.05 116.94 120.49 3i6e h PHE 178 Ca 0.43 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.85 3i6e h PHE 178 Cb 0.12 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3i6e h PHE 178 CO -0.00 0.47 -0.29 -0.44 -2.23 0.00 0.00 178.31 175.81 3i6e h ASP 179 N 0.82 0.45 -0.60 0.41 3.32 -1.30 -2.90 116.42 116.61 3i6e h ASP 179 Ca 0.25 -0.59 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 3i6e h ASP 179 Cb -0.00 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3i6e h ASP 179 CO -0.06 0.96 0.24 0.40 -1.72 0.00 0.00 179.24 179.05 3i6e h ILE 180 N -0.04 1.23 0.07 0.35 2.04 -1.09 -2.19 117.51 117.87 3i6e h ILE 180 Ca -0.01 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.15 3i6e h ILE 180 Cb 0.91 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3i6e h ILE 180 CO 0.06 0.28 -0.30 -0.03 0.00 0.00 0.00 178.15 178.17 3i6e h MET 181 N 0.84 -0.47 -0.98 2.37 4.05 -1.05 -0.34 114.93 119.36 3i6e h MET 181 Ca 0.20 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.67 3i6e h MET 181 Cb 0.21 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.07 3i6e h MET 181 CO -0.02 -0.31 0.65 0.00 0.23 0.00 0.00 176.91 177.46 3i6e h ARG 182 N -0.49 1.26 -0.52 0.39 3.08 -1.42 -2.13 114.38 114.56 3i6e h ARG 182 Ca 0.04 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3i6e h ARG 182 Cb 0.54 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3i6e h ARG 182 CO -0.21 0.83 0.03 -0.07 -1.07 0.00 0.00 179.97 179.49 3i6e h LEU 183 N 1.30 0.87 0.05 3.04 3.38 -1.02 -1.81 115.31 121.12 3i6e h LEU 183 Ca 0.37 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3i6e h LEU 183 Cb -0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3i6e h LEU 183 CO -0.09 0.94 -0.12 -0.33 0.09 0.00 0.00 178.44 178.93 3i6e h GLU 184 N 0.76 -0.22 0.03 1.13 5.08 -0.64 -2.24 114.58 118.48 3i6e h GLU 184 Ca 0.15 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3i6e h GLU 184 Cb 0.48 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3i6e h GLU 184 CO 0.02 -0.15 -0.02 1.25 -1.00 0.00 0.00 179.01 179.12 3i6e h LEU 185 N -0.23 -0.04 -0.81 1.33 6.46 -1.34 -2.59 115.31 118.09 3i6e h LEU 185 Ca 0.03 -0.06 0.12 0.00 -0.12 0.00 0.00 57.88 57.85 3i6e h LEU 185 Cb 0.25 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.11 3i6e h LEU 185 CO -0.08 0.04 0.42 0.40 -0.62 0.00 0.00 178.44 178.59 3i6e h ILE 186 N -0.11 0.79 0.00 4.05 2.04 -1.25 0.24 117.51 123.27 3i6e h ILE 186 Ca -0.00 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3i6e h ILE 186 Cb 0.09 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3i6e h ILE 186 CO 0.01 0.12 -0.23 0.00 0.00 0.00 0.00 178.15 178.05 3i6e h ALA 187 N 1.51 1.44 0.00 1.87 0.00 -1.25 0.18 119.26 123.01 3i6e h ALA 187 Ca 0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i6e h ALA 187 Cb 0.53 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i6e h ALA 187 CO -0.32 0.29 -0.17 -0.09 0.00 0.00 0.00 179.25 178.96 3i6e h ARG 188 N 0.00 0.00 0.00 0.00 2.43 -0.47 -3.36 114.38 112.98 3i6e h ARG 188 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i6e h ARG 188 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3i6e h ARG 188 CO 0.03 0.04 -0.58 -0.25 -1.51 0.00 0.00 179.97 177.70 3i6e n ASP 189 N -4.72 0.59 -2.63 -3.80 8.00 0.61 -4.42 116.55 110.18 3i6e n ASP 189 Ca -0.03 -0.02 -0.16 0.00 0.71 0.00 0.00 54.79 55.29 3i6e n ASP 189 Cb 0.10 0.21 0.02 0.00 -0.02 0.00 0.00 41.12 41.43 3i6e n ASP 189 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i6e n PHE 190 N -1.85 1.93 0.20 1.24 3.72 0.64 -4.89 117.46 118.45 3i6e n PHE 190 Ca 0.04 -2.97 0.03 0.00 -0.05 0.00 0.00 57.45 54.50 3i6e n PHE 190 Cb 0.40 -0.28 0.12 0.00 -0.94 0.00 0.00 39.48 38.77 3i6e n PHE 190 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3i6e n PRO 191 N -0.19 0.02 -0.13 -1.08 -0.04 -1.21 -2.47 135.00 129.90 3i6e n PRO 191 Ca 0.20 0.37 -0.11 0.00 -0.04 0.00 0.00 63.50 63.92 3i6e n PRO 191 Cb 0.75 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 3i6e n PRO 191 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i6e h GLU 192 N 0.00 0.79 -7.06 0.54 3.07 -1.90 -3.45 114.58 106.57 3i6e h GLU 192 Ca 0.00 -0.32 -0.51 0.00 -0.50 0.00 0.00 59.36 58.04 3i6e h GLU 192 Cb 0.08 -0.04 0.08 0.00 -0.84 0.00 0.00 28.75 28.03 3i6e h GLU 192 CO 0.00 0.93 0.46 -0.06 -1.40 0.00 0.00 179.01 178.94 3i6e s PHE 193 N -4.73 2.69 -0.10 4.33 0.08 -1.03 -4.95 117.98 114.27 3i6e s PHE 193 Ca -0.12 1.53 -0.10 0.00 0.12 0.00 0.00 56.93 58.36 3i6e s PHE 193 Cb 0.10 -3.35 -0.05 0.00 -0.57 0.00 0.00 43.02 39.15 3i6e s PHE 193 CO 0.82 -1.67 0.22 1.03 -0.10 0.00 0.00 175.22 175.53 3i6e s ARG 194 N -3.11 3.67 -0.08 0.44 0.52 -0.61 -5.00 118.95 114.78 3i6e s ARG 194 Ca 0.71 0.02 0.01 0.00 -0.52 0.00 0.00 55.73 55.95 3i6e s ARG 194 Cb -0.26 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 3i6e s ARG 194 CO 0.30 0.69 -0.10 0.08 0.02 0.00 0.00 175.30 176.29 3i6e s VAL 195 N -0.85 3.38 0.27 3.52 1.01 -1.26 -2.55 120.40 123.92 3i6e s VAL 195 Ca 0.17 -0.59 0.12 0.00 0.00 0.00 0.00 61.98 61.68 3i6e s VAL 195 Cb -0.13 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 3i6e s VAL 195 CO 0.06 0.57 -0.19 -0.13 0.00 0.00 0.00 175.10 175.41 3i6e s ARG 196 N -0.46 1.71 -0.00 2.72 3.00 -0.26 0.65 118.95 126.30 3i6e s ARG 196 Ca 0.06 -1.71 0.03 0.00 0.00 0.00 0.00 55.73 54.12 3i6e s ARG 196 Cb -0.12 -1.81 -0.01 0.00 0.00 0.00 0.00 34.95 33.01 3i6e s ARG 196 CO 0.02 0.34 -0.11 0.08 0.00 0.00 0.00 175.30 175.64 3i6e s VAL 197 N -2.39 0.84 -0.05 3.52 1.01 -0.25 -0.43 120.40 122.65 3i6e s VAL 197 Ca 0.29 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3i6e s VAL 197 Cb -0.05 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.64 3i6e s VAL 197 CO 0.15 0.19 0.05 -0.62 0.00 0.00 0.00 175.10 174.87 3i6e s ASP 198 N -0.37 1.22 0.02 3.32 -1.08 -0.55 0.56 116.67 119.79 3i6e s ASP 198 Ca 0.03 0.05 0.25 0.00 -0.52 0.00 0.00 52.55 52.36 3i6e s ASP 198 Cb -0.05 -0.19 0.48 0.00 -1.46 0.00 0.00 42.92 41.70 3i6e s ASP 198 CO -0.00 -0.24 1.40 -1.22 0.52 0.00 0.00 175.17 175.62 3i6e n TYR 199 N 5.27 0.07 -4.01 -5.34 4.02 -0.72 -0.90 117.16 115.56 3i6e n TYR 199 Ca -0.04 0.02 -0.28 0.00 -0.01 0.00 0.00 57.90 57.59 3i6e n TYR 199 Cb 0.50 -0.31 -0.02 0.00 -0.02 0.00 0.00 39.34 39.49 3i6e n TYR 199 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3i6e n ASN 200 N -1.59 -1.25 -0.27 7.72 4.13 -1.22 -0.43 115.26 122.34 3i6e n ASN 200 Ca 0.05 -0.99 -0.04 0.00 1.68 0.00 0.00 54.58 55.28 3i6e n ASN 200 Cb 0.35 -3.04 -0.02 0.00 -1.54 0.00 0.00 39.78 35.54 3i6e n ASN 200 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i6e n GLN 201 N -4.42 -1.78 0.29 3.52 6.02 -0.04 -4.87 117.38 116.11 3i6e n GLN 201 Ca -0.20 0.60 0.18 0.00 -0.01 0.00 0.00 57.00 57.57 3i6e n GLN 201 Cb 0.63 -4.99 0.80 0.00 1.02 0.00 0.00 30.24 27.70 3i6e n GLN 201 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3i6e h GLY 202 N 0.00 0.00 -3.63 1.08 0.00 -0.78 -3.33 103.07 96.40 3i6e h GLY 202 Ca -0.07 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.75 3i6e h GLY 202 CO 0.11 0.00 0.21 1.08 0.00 0.00 0.00 176.54 177.94 3i6e s LEU 203 N -6.25 4.44 0.46 3.11 1.43 -0.49 -4.96 118.68 116.42 3i6e s LEU 203 Ca -0.00 1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 54.69 3i6e s LEU 203 Cb 0.10 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 3i6e s LEU 203 CO 0.52 0.07 0.75 -1.61 0.23 0.00 0.00 176.35 176.30 3i6e s GLU 204 N -1.69 3.49 0.17 1.70 0.41 -1.26 -4.48 118.70 117.04 3i6e s GLU 204 Ca 0.43 0.08 -0.17 0.00 -0.41 0.00 0.00 54.97 54.89 3i6e s GLU 204 Cb -0.20 -2.43 0.11 0.00 -1.78 0.00 0.00 34.13 29.83 3i6e s GLU 204 CO 0.24 -0.17 1.65 0.82 -0.49 0.00 0.00 175.26 177.32 3i6e h ILE 205 N 0.30 0.52 0.00 -1.63 2.04 -1.98 -2.06 117.51 114.71 3i6e h ILE 205 Ca -0.47 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3i6e h ILE 205 Cb 1.21 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3i6e h ILE 205 CO 0.61 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 177.86 3i6e n ASP 206 N -5.34 0.00 0.00 1.72 5.68 -1.26 -2.97 116.55 114.38 3i6e n ASP 206 Ca 0.03 -0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 3i6e n ASP 206 Cb 0.25 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3i6e n ASP 206 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3i6e n GLU 207 N -1.14 2.17 0.19 0.11 0.28 -0.83 -4.88 120.64 116.54 3i6e n GLU 207 Ca 0.08 -0.17 -0.14 0.00 -0.16 0.00 0.00 57.16 56.76 3i6e n GLU 207 Cb 0.07 -0.60 -0.07 0.00 1.43 0.00 0.00 31.44 32.27 3i6e n GLU 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i6e h ALA 208 N 0.00 -0.60 0.37 -1.84 0.00 -1.30 -2.83 119.26 113.06 3i6e h ALA 208 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3i6e h ALA 208 Cb 0.07 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i6e h ALA 208 CO 0.00 -0.87 -0.18 0.28 0.00 0.00 0.00 179.25 178.48 3i6e h VAL 209 N -0.60 0.64 -0.78 0.00 2.07 -1.90 -1.80 116.25 113.88 3i6e h VAL 209 Ca -0.01 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3i6e h VAL 209 Cb 0.55 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3i6e h VAL 209 CO -0.06 0.00 0.51 1.55 0.02 0.00 0.00 177.57 179.60 3i6e h PRO 210 N -0.49 1.01 -0.30 1.57 0.13 -1.91 -0.21 132.00 131.79 3i6e h PRO 210 Ca -0.05 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 3i6e h PRO 210 Cb 0.38 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 3i6e h PRO 210 CO 0.08 0.67 -0.11 0.00 -0.23 0.00 0.00 178.00 178.42 3i6e h ARG 211 N 1.04 0.61 -0.55 0.86 3.08 -1.50 -2.26 114.38 115.65 3i6e h ARG 211 Ca 0.29 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3i6e h ARG 211 Cb -0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3i6e h ARG 211 CO -0.07 0.81 0.18 0.28 -1.07 0.00 0.00 179.97 180.11 3i6e h VAL 212 N 0.37 1.23 -0.51 2.04 2.07 -1.19 -1.82 116.25 118.45 3i6e h VAL 212 Ca 0.07 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 66.86 3i6e h VAL 212 Cb 0.61 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3i6e h VAL 212 CO 0.04 0.29 0.25 -0.07 0.02 0.00 0.00 177.57 178.10 3i6e h LEU 213 N 0.77 0.36 0.10 2.57 3.38 -0.95 0.66 115.31 122.20 3i6e h LEU 213 Ca 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3i6e h LEU 213 Cb 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3i6e h LEU 213 CO -0.01 0.25 -0.05 0.44 0.09 0.00 0.00 178.44 179.16 3i6e h ASP 214 N 0.49 -0.12 -0.27 -0.43 3.32 -1.21 -2.79 116.42 115.42 3i6e h ASP 214 Ca 0.23 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3i6e h ASP 214 Cb 0.15 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3i6e h ASP 214 CO -0.17 0.10 0.18 0.58 -1.72 0.00 0.00 179.24 178.21 3i6e h VAL 215 N -0.34 1.05 0.00 -1.35 2.07 -1.15 -1.12 116.25 115.42 3i6e h VAL 215 Ca -0.01 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3i6e h VAL 215 Cb 0.28 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3i6e h VAL 215 CO 0.02 0.06 -0.05 0.00 0.02 0.00 0.00 177.57 177.63 3i6e h ALA 216 N 1.83 1.65 -0.14 1.67 0.00 -0.59 -2.28 119.26 121.41 3i6e h ALA 216 Ca 0.10 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3i6e h ALA 216 Cb -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i6e h ALA 216 CO -0.02 0.06 0.10 1.96 0.00 0.00 0.00 179.25 181.35 3i6e h GLN 217 N 0.00 0.01 0.00 0.00 1.08 -1.11 -0.63 115.11 114.46 3i6e h GLN 217 Ca -0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i6e h GLN 217 Cb 0.11 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 3i6e h GLN 217 CO 0.01 0.01 0.00 1.19 -0.95 0.00 0.00 178.83 179.08 3i6e n PHE 218 N -4.50 0.00 -3.79 2.96 3.72 -0.86 -4.94 117.46 110.06 3i6e n PHE 218 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 3i6e n PHE 218 Cb 0.22 -0.15 0.01 0.00 -0.94 0.00 0.00 39.48 38.62 3i6e n PHE 218 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i6e n GLN 219 N -1.15 -3.71 -1.08 -1.08 6.02 -0.24 -4.97 117.38 111.18 3i6e n GLN 219 Ca 0.17 0.52 -0.30 0.00 -0.01 0.00 0.00 57.00 57.38 3i6e n GLN 219 Cb 0.16 -4.79 0.14 0.00 1.02 0.00 0.00 30.24 26.77 3i6e n GLN 219 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3i6e s PRO 220 N -6.16 1.25 0.50 -1.09 0.04 -1.26 -4.89 135.00 123.38 3i6e s PRO 220 Ca 0.08 1.02 0.15 0.00 0.04 0.00 0.00 61.00 62.28 3i6e s PRO 220 Cb -0.02 -1.79 1.20 0.00 0.04 0.00 0.00 34.50 33.92 3i6e s PRO 220 CO 0.85 -2.30 2.12 -0.44 0.04 0.00 0.00 177.00 177.26 3i6e h ASP 221 N -1.60 0.09 -4.52 6.66 3.32 -0.16 -3.44 116.42 116.76 3i6e h ASP 221 Ca -0.48 -0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.75 3i6e h ASP 221 Cb 1.27 -0.02 -0.17 0.00 0.22 0.00 0.00 39.33 40.64 3i6e h ASP 221 CO 0.51 0.06 0.66 0.72 -1.72 0.00 0.00 179.24 179.47 3i6e s PHE 222 N -5.15 -0.22 -0.16 4.55 -0.12 -1.26 -4.28 117.98 111.34 3i6e s PHE 222 Ca -0.06 0.12 0.02 0.00 -0.05 0.00 0.00 56.93 56.97 3i6e s PHE 222 Cb 0.17 0.53 0.01 0.00 -0.63 0.00 0.00 43.02 43.11 3i6e s PHE 222 CO 0.69 -0.38 -0.21 0.42 -0.05 0.00 0.00 175.22 175.68 3i6e s ILE 223 N -2.77 2.08 -0.11 -4.49 1.01 0.02 -1.10 121.20 115.83 3i6e s ILE 223 Ca 0.08 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 59.65 3i6e s ILE 223 Cb -0.01 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 3i6e s ILE 223 CO -0.06 0.54 0.26 -0.70 0.00 0.00 0.00 174.94 174.98 3i6e s GLU 224 N 1.00 3.92 -0.09 2.79 2.12 0.19 -0.56 118.70 128.07 3i6e s GLU 224 Ca -0.02 0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.35 3i6e s GLU 224 Cb -0.15 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3i6e s GLU 224 CO -0.06 0.52 0.09 0.94 -0.54 0.00 0.00 175.26 176.20 3i6e n GLN 225 N 2.67 -0.23 0.06 4.30 -0.06 0.24 -1.75 117.38 122.61 3i6e n GLN 225 Ca -0.15 0.14 0.02 0.00 -2.00 0.00 0.00 57.00 55.01 3i6e n GLN 225 Cb 0.53 -0.28 0.37 0.00 -4.06 0.00 0.00 30.24 26.79 3i6e n GLN 225 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 3i6e h PRO 226 N 0.56 0.37 -5.39 3.69 0.11 -1.88 -0.05 132.00 129.42 3i6e h PRO 226 Ca -0.08 -0.07 -0.62 0.00 0.11 0.00 0.00 66.00 65.33 3i6e h PRO 226 Cb 0.19 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 31.11 3i6e h PRO 226 CO 0.04 0.42 -0.56 0.14 -0.21 0.00 0.00 178.00 177.83 3i6e s VAL 227 N -4.93 1.49 0.45 3.15 -7.23 -1.26 -1.40 120.40 110.66 3i6e s VAL 227 Ca -0.07 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.87 3i6e s VAL 227 Cb 0.16 -2.62 -0.10 0.00 0.56 0.00 0.00 36.38 34.38 3i6e s VAL 227 CO 0.74 0.00 1.01 0.54 -0.31 0.00 0.00 175.10 177.08 3i6e n ARG 228 N -1.04 1.31 -0.31 4.82 5.12 -1.25 -4.31 116.66 121.01 3i6e n ARG 228 Ca -0.10 0.47 0.15 0.00 -1.93 0.00 0.00 57.85 56.44 3i6e n ARG 228 Cb 0.67 -2.07 0.31 0.00 -1.16 0.00 0.00 32.46 30.21 3i6e n ARG 228 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i6e h ALA 229 N 1.41 1.35 0.00 7.54 0.00 -1.93 -0.39 119.26 127.23 3i6e h ALA 229 Ca -0.45 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i6e h ALA 229 Cb 1.34 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3i6e h ALA 229 CO 0.56 -0.51 0.00 -2.39 0.00 0.00 0.00 179.25 176.91 3i6e n HIS 230 N -5.25 0.00 -1.39 0.00 1.44 -1.26 -4.28 115.22 104.47 3i6e n HIS 230 Ca 0.23 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.55 3i6e n HIS 230 Cb 0.74 -0.38 -0.03 0.00 0.12 0.00 0.00 29.99 30.44 3i6e n HIS 230 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3i6e n HIS 231 N -1.38 2.48 -0.22 -1.40 8.25 -0.16 -4.67 115.22 118.13 3i6e n HIS 231 Ca 0.06 -3.07 -0.07 0.00 -0.26 0.00 0.00 57.72 54.39 3i6e n HIS 231 Cb 0.16 -2.44 0.03 0.00 1.12 0.00 0.00 29.99 28.87 3i6e n HIS 231 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3i6e h PHE 232 N 5.01 0.87 -0.09 4.41 -1.00 -1.85 -0.99 116.94 123.30 3i6e h PHE 232 Ca 0.85 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 61.59 3i6e h PHE 232 Cb 0.30 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.58 3i6e h PHE 232 CO 1.84 0.66 0.04 0.93 -1.61 0.00 0.00 178.31 180.17 3i6e h GLU 233 N 0.83 0.13 -0.34 1.51 5.08 -1.94 -1.28 114.58 118.57 3i6e h GLU 233 Ca 0.21 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 3i6e h GLU 233 Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3i6e h GLU 233 CO -0.03 0.23 -0.16 1.25 -1.00 0.00 0.00 179.01 179.31 3i6e h LEU 234 N -0.00 0.61 -0.82 1.33 5.85 -1.93 -1.31 115.31 119.05 3i6e h LEU 234 Ca 0.03 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3i6e h LEU 234 Cb 0.15 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3i6e h LEU 234 CO -0.00 0.78 0.18 -0.03 -0.34 0.00 0.00 178.44 179.03 3i6e h MET 235 N 0.56 1.07 -0.69 1.25 4.05 -1.04 0.23 114.93 120.36 3i6e h MET 235 Ca 0.09 -0.24 -0.07 0.00 -0.28 0.00 0.00 59.70 59.20 3i6e h MET 235 Cb 0.59 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 3i6e h MET 235 CO 0.04 0.93 0.15 0.00 0.23 0.00 0.00 176.91 178.26 3i6e h ALA 236 N 1.17 0.96 -0.62 0.39 0.00 -0.72 -0.12 119.26 120.32 3i6e h ALA 236 Ca 0.22 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3i6e h ALA 236 Cb 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3i6e h ALA 236 CO -0.00 0.66 0.09 0.00 0.00 0.00 0.00 179.25 180.00 3i6e h ARG 237 N 1.05 1.04 -0.28 0.00 3.08 -0.35 -2.65 114.38 116.27 3i6e h ARG 237 Ca 0.21 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3i6e h ARG 237 Cb 0.39 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3i6e h ARG 237 CO 0.01 0.97 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.67 3i6e h LEU 238 N 0.95 0.47 -1.38 3.04 3.38 -0.15 -2.63 115.31 118.99 3i6e h LEU 238 Ca 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i6e h LEU 238 Cb 0.44 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3i6e h LEU 238 CO 0.01 0.64 0.39 -0.09 0.09 0.00 0.00 178.44 179.48 3i6e h ARG 239 N 0.44 0.81 -0.00 1.13 2.43 -0.67 -2.26 114.38 116.27 3i6e h ARG 239 Ca 0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3i6e h ARG 239 Cb 0.51 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3i6e h ARG 239 CO 0.03 0.55 -0.01 0.41 -1.51 0.00 0.00 179.97 179.43 3i6e n GLY 240 N -1.41 -0.83 0.13 2.80 0.00 -0.99 -3.98 105.19 100.90 3i6e n GLY 240 Ca 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.85 3i6e n GLY 240 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6e h LEU 241 N 0.52 0.00 -8.59 0.99 3.38 -1.38 -3.48 115.31 106.75 3i6e h LEU 241 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 3i6e h LEU 241 Cb 0.17 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 3i6e h LEU 241 CO 0.00 0.54 -0.36 0.42 0.09 0.00 0.00 178.44 179.13 3i6e s THR 242 N -2.94 0.00 -2.08 0.22 -4.23 -1.26 -5.04 115.64 100.32 3i6e s THR 242 Ca 0.02 -1.77 0.21 0.00 -1.18 0.00 0.00 61.69 58.98 3i6e s THR 242 Cb 0.08 -2.50 0.49 0.00 1.34 0.00 0.00 72.50 71.91 3i6e s THR 242 CO 0.76 0.00 1.42 0.47 -0.54 0.00 0.00 174.62 176.74 3i6e n ASP 243 N -0.97 3.57 -4.70 3.99 8.00 -1.26 -4.89 116.55 120.28 3i6e n ASP 243 Ca 0.02 -1.98 -0.42 0.00 0.71 0.00 0.00 54.79 53.13 3i6e n ASP 243 Cb 0.63 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 3i6e n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i6e s VAL 244 N -1.22 4.87 0.18 2.53 1.01 -1.26 -4.97 120.40 121.53 3i6e s VAL 244 Ca 0.40 1.99 -0.33 0.00 0.00 0.00 0.00 61.98 64.05 3i6e s VAL 244 Cb 0.22 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 32.17 3i6e s VAL 244 CO 0.30 0.13 1.44 -2.65 0.00 0.00 0.00 175.10 174.32 3i6e n PRO 245 N 4.18 1.85 -3.75 2.72 -0.02 -1.26 -4.82 135.00 133.90 3i6e n PRO 245 Ca 0.06 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.83 3i6e n PRO 245 Cb 0.50 -2.34 -0.12 0.00 -0.02 0.00 0.00 33.50 31.52 3i6e n PRO 245 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i6e s LEU 246 N 0.52 3.66 -0.13 2.45 2.96 -1.26 -0.80 118.68 126.08 3i6e s LEU 246 Ca 0.75 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 54.17 3i6e s LEU 246 Cb -0.73 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 3i6e s LEU 246 CO 0.45 -0.11 0.09 -0.76 -1.32 0.00 0.00 176.35 174.70 3i6e s LEU 247 N 1.57 4.09 0.01 -0.68 1.43 0.27 -0.18 118.68 125.19 3i6e s LEU 247 Ca 0.05 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.30 3i6e s LEU 247 Cb -0.16 -2.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 3i6e s LEU 247 CO 0.03 0.34 0.44 0.00 0.23 0.00 0.00 176.35 177.40 3i6e s ALA 248 N -0.64 3.67 0.00 4.21 0.00 -0.43 -0.59 121.76 127.98 3i6e s ALA 248 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.91 3i6e s ALA 248 Cb -0.12 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3i6e s ALA 248 CO 0.02 0.45 0.00 -3.47 0.00 0.00 0.00 175.76 172.77 3i6e n ASP 249 N 1.84 0.00 0.23 0.00 -0.08 -1.26 -0.78 116.55 116.51 3i6e n ASP 249 Ca -0.13 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.33 3i6e n ASP 249 Cb 0.52 0.00 0.85 0.00 2.34 0.00 0.00 41.12 44.83 3i6e n ASP 249 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3i6e h GLU 250 N 0.00 0.00 0.00 -0.67 3.07 -1.94 0.48 114.58 115.53 3i6e h GLU 250 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i6e h GLU 250 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3i6e h GLU 250 CO 0.00 0.00 0.00 0.77 -1.40 0.00 0.00 179.01 178.38 3i6e h SER 251 N 0.00 0.00 -3.40 1.42 0.02 -1.89 -3.43 113.55 106.26 3i6e h SER 251 Ca 0.08 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.46 3i6e h SER 251 Cb 0.63 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.79 3i6e h SER 251 CO -0.00 0.00 -0.79 -0.69 -1.14 0.00 0.00 176.83 174.21 3i6e s VAL 252 N -3.47 1.16 -0.15 2.27 1.01 0.16 -4.89 120.40 116.49 3i6e s VAL 252 Ca 0.04 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3i6e s VAL 252 Cb 0.09 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3i6e s VAL 252 CO 0.54 0.03 -0.27 -1.22 0.00 0.00 0.00 175.10 174.18 3i6e n TYR 253 N 4.84 0.20 -3.89 5.22 4.02 -1.26 -4.83 117.16 121.45 3i6e n TYR 253 Ca -0.12 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3i6e n TYR 253 Cb 0.47 -0.50 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 3i6e n TYR 253 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i6e n GLY 254 N 1.51 4.47 0.36 2.72 0.00 -1.26 -2.85 105.19 110.13 3i6e n GLY 254 Ca -0.11 -2.01 0.12 0.00 0.00 0.00 0.00 46.02 44.02 3i6e n GLY 254 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i6e h PRO 255 N 0.00 0.77 -0.27 1.61 0.11 -1.92 -0.93 132.00 131.37 3i6e h PRO 255 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3i6e h PRO 255 Cb 0.00 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 3i6e h PRO 255 CO 0.00 0.51 0.18 0.93 -0.21 0.00 0.00 178.00 179.40 3i6e h GLU 256 N 0.79 0.35 -0.45 1.05 3.07 -1.98 -0.59 114.58 116.82 3i6e h GLU 256 Ca 0.54 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 59.26 3i6e h GLU 256 Cb 0.81 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3i6e h GLU 256 CO -0.32 0.23 -0.20 -0.44 -1.40 0.00 0.00 179.01 176.88 3i6e h ASP 257 N 0.36 0.91 -0.66 1.42 3.32 -1.74 -2.82 116.42 117.20 3i6e h ASP 257 Ca 0.10 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.84 3i6e h ASP 257 Cb -0.04 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 3i6e h ASP 257 CO -0.02 1.08 0.43 -0.03 -1.72 0.00 0.00 179.24 178.97 3i6e h MET 258 N 0.78 0.83 -0.50 3.56 4.05 -0.73 0.38 114.93 123.30 3i6e h MET 258 Ca 0.11 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 3i6e h MET 258 Cb 0.74 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 3i6e h MET 258 CO 0.06 0.55 0.30 0.28 0.23 0.00 0.00 176.91 178.34 3i6e h VAL 259 N 0.86 1.07 -0.23 -5.77 2.07 -1.03 0.14 116.25 113.36 3i6e h VAL 259 Ca 0.25 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3i6e h VAL 259 Cb -0.05 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3i6e h VAL 259 CO -0.08 0.11 -0.00 -0.09 0.02 0.00 0.00 177.57 177.53 3i6e h ARG 260 N 0.61 0.40 -0.77 1.57 2.43 -1.09 -1.59 114.38 115.95 3i6e h ARG 260 Ca 0.20 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3i6e h ARG 260 Cb -0.00 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3i6e h ARG 260 CO -0.08 0.58 0.45 0.00 -1.51 0.00 0.00 179.97 179.42 3i6e h ALA 261 N 0.80 0.98 -0.43 2.80 0.00 -0.05 -0.75 119.26 122.61 3i6e h ALA 261 Ca 0.06 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3i6e h ALA 261 Cb 0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i6e h ALA 261 CO 0.01 0.46 -0.06 0.00 0.00 0.00 0.00 179.25 179.66 3i6e h ALA 262 N 1.24 0.59 -0.81 0.00 0.00 -0.94 -1.50 119.26 117.84 3i6e h ALA 262 Ca 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3i6e h ALA 262 Cb -0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3i6e h ALA 262 CO -0.05 0.43 0.38 1.25 0.00 0.00 0.00 179.25 181.26 3i6e h HIS 263 N 0.63 1.17 -0.01 0.00 6.17 -0.88 -2.65 115.15 119.58 3i6e h HIS 263 Ca 0.11 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 3i6e h HIS 263 Cb 0.57 -0.36 0.00 0.00 2.52 0.00 0.00 27.41 30.14 3i6e h HIS 263 CO 0.04 0.85 -0.05 0.39 0.71 0.00 0.00 177.93 179.87 3i6e n GLU 264 N -4.34 0.98 -3.68 5.26 1.02 -0.32 -4.95 120.64 114.60 3i6e n GLU 264 Ca 0.08 -0.32 -0.24 0.00 -0.02 0.00 0.00 57.16 56.65 3i6e n GLU 264 Cb 0.14 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.13 3i6e n GLU 264 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i6e n GLY 265 N 1.18 -0.46 0.09 0.62 0.00 -0.59 -4.81 105.19 101.21 3i6e n GLY 265 Ca 0.18 0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.54 3i6e n GLY 265 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i6e n ILE 266 N -4.66 0.00 -3.86 -0.61 -5.35 -1.02 -4.43 119.36 99.43 3i6e n ILE 266 Ca -0.08 -0.04 -0.08 0.00 -0.27 0.00 0.00 62.75 62.28 3i6e n ILE 266 Cb 0.59 -0.19 -0.01 0.00 -1.74 0.00 0.00 39.64 38.28 3i6e n ILE 266 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i6e n ASP 268 N -0.70 0.96 -3.52 0.00 8.00 0.74 -4.98 116.55 117.06 3i6e n ASP 268 Ca -0.05 -0.52 -0.02 0.00 0.71 0.00 0.00 54.79 54.92 3i6e n ASP 268 Cb 0.59 1.30 0.01 0.00 -0.02 0.00 0.00 41.12 43.00 3i6e n ASP 268 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i6e s GLY 269 N -3.04 -0.03 0.04 0.44 0.00 -1.18 -1.60 107.32 101.94 3i6e s GLY 269 Ca 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.65 3i6e s GLY 269 CO 0.66 2.31 -0.08 0.54 0.00 0.00 0.00 173.10 176.53 3i6e s VAL 270 N -2.35 0.52 -0.30 1.40 0.11 0.17 -1.31 120.40 118.63 3i6e s VAL 270 Ca 0.21 -1.08 -0.17 0.00 -2.93 0.00 0.00 61.98 58.01 3i6e s VAL 270 Cb -0.01 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 3i6e s VAL 270 CO 0.03 -0.39 0.48 -0.55 -3.33 0.00 0.00 175.10 171.34 3i6e s SER 271 N -1.58 6.34 -0.18 3.54 0.15 0.04 -1.18 113.70 120.83 3i6e s SER 271 Ca -0.10 0.21 -0.10 0.00 0.70 0.00 0.00 55.95 56.66 3i6e s SER 271 Cb -0.10 -2.26 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 3i6e s SER 271 CO 0.00 -0.35 0.17 -0.63 1.20 0.00 0.00 173.24 173.63 3i6e s ILE 272 N 2.29 5.40 -0.02 6.45 1.01 0.46 -4.76 121.20 132.02 3i6e s ILE 272 Ca 0.18 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.11 3i6e s ILE 272 Cb -0.16 -3.50 0.03 0.00 0.01 0.00 0.00 42.46 38.85 3i6e s ILE 272 CO 0.11 0.46 0.02 -0.54 0.00 0.00 0.00 174.94 174.99 3i6e s LYS 273 N 0.13 0.05 0.50 2.79 1.02 -1.26 -1.40 119.74 121.56 3i6e s LYS 273 Ca 0.11 0.15 0.21 0.00 0.02 0.00 0.00 55.97 56.46 3i6e s LYS 273 Cb -0.12 -0.30 1.30 0.00 -0.52 0.00 0.00 37.83 38.20 3i6e s LYS 273 CO 0.00 -0.15 2.07 -0.84 -0.92 0.00 0.00 175.35 175.52 3i6e h ILE 274 N 6.23 0.85 0.00 2.17 3.07 -1.86 -0.70 117.51 127.26 3i6e h ILE 274 Ca -0.44 -0.44 -0.01 0.00 1.55 0.00 0.00 64.86 65.52 3i6e h ILE 274 Cb 1.13 1.25 -0.00 0.00 -0.27 0.00 0.00 36.82 38.93 3i6e h ILE 274 CO 0.48 0.11 -0.04 0.24 -1.05 0.00 0.00 178.15 177.90 3i6e h MET 275 N 0.00 0.00 0.04 0.16 2.86 -1.91 0.12 114.93 116.20 3i6e h MET 275 Ca -0.00 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.26 3i6e h MET 275 Cb 0.24 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 3i6e h MET 275 CO 0.02 0.04 -2.18 1.63 1.06 0.00 0.00 176.91 177.47 3i6e n LYS 276 N -3.22 0.66 0.08 1.72 5.02 -0.36 -3.06 118.16 119.01 3i6e n LYS 276 Ca -0.01 0.26 0.11 0.00 -2.02 0.00 0.00 58.31 56.65 3i6e n LYS 276 Cb 0.23 -1.60 0.45 0.00 -0.02 0.00 0.00 35.03 34.08 3i6e n LYS 276 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i6e n SER 277 N -3.66 0.48 -2.05 4.39 3.41 -0.64 -4.45 113.62 111.11 3i6e n SER 277 Ca -0.41 0.59 -0.14 0.00 -0.26 0.00 0.00 58.87 58.65 3i6e n SER 277 Cb 0.95 -0.71 0.03 0.00 -0.26 0.00 0.00 64.21 64.22 3i6e n SER 277 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6e n GLY 278 N 0.40 -0.08 0.00 5.00 0.00 0.02 -4.73 105.19 105.80 3i6e n GLY 278 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3i6e n GLY 278 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6e n GLY 279 N -1.26 3.45 0.16 -0.02 0.00 -1.14 -3.86 105.19 102.51 3i6e n GLY 279 Ca -0.07 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 3i6e n GLY 279 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6e h LEU 280 N 0.00 0.67 -0.16 0.99 4.07 -1.89 -2.90 115.31 116.09 3i6e h LEU 280 Ca 0.00 -0.75 -0.00 0.00 0.08 0.00 0.00 57.88 57.20 3i6e h LEU 280 Cb 0.00 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 3i6e h LEU 280 CO 0.00 1.34 0.09 0.74 -1.08 0.00 0.00 178.44 179.53 3i6e h THR 281 N 0.08 1.10 -0.25 0.22 2.02 -1.97 -1.61 112.91 112.51 3i6e h THR 281 Ca -0.10 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.84 3i6e h THR 281 Cb 1.46 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 3i6e h THR 281 CO 0.15 0.09 0.17 0.03 0.37 0.00 0.00 175.52 176.34 3i6e h ARG 282 N 0.15 0.19 -0.39 6.66 3.08 -1.86 0.73 114.38 122.95 3i6e h ARG 282 Ca 0.06 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 3i6e h ARG 282 Cb 0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3i6e h ARG 282 CO -0.01 0.13 -0.24 0.00 -1.07 0.00 0.00 179.97 178.78 3i6e h ALA 283 N 1.86 0.55 -0.81 0.04 0.00 -1.20 -2.08 119.26 117.62 3i6e h ALA 283 Ca 0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3i6e h ALA 283 Cb 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3i6e h ALA 283 CO -0.02 0.54 0.38 1.96 0.00 0.00 0.00 179.25 182.11 3i6e h GLN 284 N 0.65 1.17 -0.85 0.00 4.20 -0.13 -2.24 115.11 117.90 3i6e h GLN 284 Ca 0.08 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3i6e h GLN 284 Cb 0.80 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 3i6e h GLN 284 CO 0.07 0.90 0.43 1.15 -0.67 0.00 0.00 178.83 180.71 3i6e h THR 285 N 1.16 1.26 -0.56 -0.54 2.02 -0.69 -0.56 112.91 115.00 3i6e h THR 285 Ca 0.28 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 3i6e h THR 285 Cb 0.13 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 3i6e h THR 285 CO -0.03 0.30 0.25 0.58 0.37 0.00 0.00 175.52 176.99 3i6e h VAL 286 N 1.21 1.21 -0.83 3.16 2.07 -0.83 -0.51 116.25 121.74 3i6e h VAL 286 Ca 0.29 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3i6e h VAL 286 Cb 0.09 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3i6e h VAL 286 CO -0.04 0.24 0.38 0.00 0.02 0.00 0.00 177.57 178.17 3i6e h ALA 287 N 1.09 1.07 -0.33 1.67 0.00 -0.92 -0.73 119.26 121.11 3i6e h ALA 287 Ca 0.19 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3i6e h ALA 287 Cb 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i6e h ALA 287 CO -0.02 0.65 -0.44 0.00 0.00 0.00 0.00 179.25 179.43 3i6e h ARG 288 N 1.18 0.84 -0.50 0.00 3.08 -0.83 -1.38 114.38 116.77 3i6e h ARG 288 Ca 0.28 -0.47 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 3i6e h ARG 288 Cb 0.15 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3i6e h ARG 288 CO -0.03 1.11 -0.18 0.82 -1.07 0.00 0.00 179.97 180.62 3i6e h ILE 289 N 0.67 1.27 -0.13 2.04 2.04 -0.90 -1.67 117.51 120.83 3i6e h ILE 289 Ca 0.04 -1.34 0.01 0.00 1.00 0.00 0.00 64.86 64.57 3i6e h ILE 289 Cb 1.03 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3i6e h ILE 289 CO 0.10 0.47 0.06 0.00 0.00 0.00 0.00 178.15 178.78 3i6e h ALA 290 N 0.91 0.15 -0.68 1.87 0.00 -0.99 -2.48 119.26 118.04 3i6e h ALA 290 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i6e h ALA 290 Cb 0.75 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3i6e h ALA 290 CO 0.06 -0.38 0.44 0.00 0.00 0.00 0.00 179.25 179.38 3i6e h ALA 291 N 1.06 1.50 0.00 0.00 0.00 -1.10 0.96 119.26 121.68 3i6e h ALA 291 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i6e h ALA 291 Cb 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3i6e h ALA 291 CO -0.03 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3i6e h ALA 292 N 1.56 1.00 -0.48 0.00 0.00 -0.87 -1.45 119.26 119.03 3i6e h ALA 292 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3i6e h ALA 292 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3i6e h ALA 292 CO -0.05 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.92 3i6e n HIS 293 N -2.82 0.63 -2.79 0.00 8.25 -0.42 -4.96 115.22 113.12 3i6e n HIS 293 Ca 0.00 -0.39 -0.12 0.00 -0.26 0.00 0.00 57.72 56.95 3i6e n HIS 293 Cb 0.22 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.35 3i6e n HIS 293 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i6e n GLY 294 N 1.24 0.07 3.46 -1.41 0.00 -0.55 -5.03 105.19 102.97 3i6e n GLY 294 Ca 0.18 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3i6e n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6e s LEU 295 N -3.99 2.65 0.60 0.99 1.43 0.20 -4.98 118.68 115.58 3i6e s LEU 295 Ca 0.21 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 3i6e s LEU 295 Cb -0.09 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 3i6e s LEU 295 CO 0.26 0.30 0.95 0.00 0.23 0.00 0.00 176.35 178.08 3i6e s MET 296 N -1.11 3.23 0.01 1.70 0.23 -0.63 -3.35 119.30 119.38 3i6e s MET 296 Ca 0.13 0.34 0.03 0.00 -1.03 0.00 0.00 55.69 55.16 3i6e s MET 296 Cb -0.11 -2.19 -0.01 0.00 -1.53 0.00 0.00 34.83 30.99 3i6e s MET 296 CO 0.03 -0.62 -0.09 0.00 -2.03 0.00 0.00 175.02 172.31 3i6e s ALA 297 N -3.06 0.74 0.03 3.16 0.00 -1.26 -0.66 121.76 120.72 3i6e s ALA 297 Ca 0.54 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.02 3i6e s ALA 297 Cb -0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 3i6e s ALA 297 CO 0.49 0.13 -0.17 -0.47 0.00 0.00 0.00 175.76 175.74 3i6e s TYR 298 N -0.58 1.49 -1.07 0.00 5.04 -0.33 -2.56 117.35 119.35 3i6e s TYR 298 Ca -0.00 -0.35 -0.19 0.00 -2.44 0.00 0.00 57.07 54.10 3i6e s TYR 298 Cb -0.05 -0.90 0.11 0.00 0.35 0.00 0.00 41.96 41.47 3i6e s TYR 298 CO 0.00 0.05 1.37 0.20 -1.34 0.00 0.00 175.55 175.83 3i6e s GLY 299 N -1.04 1.81 0.84 8.97 0.00 -0.01 -0.41 107.32 117.49 3i6e s GLY 299 Ca 0.05 -2.79 -0.11 0.00 0.00 0.00 0.00 44.72 41.87 3i6e s GLY 299 CO 0.01 2.31 1.18 -0.32 0.00 0.00 0.00 173.10 176.28 3i6e s GLY 300 N 3.91 1.73 0.28 0.20 0.00 -0.49 -1.67 107.32 111.27 3i6e s GLY 300 Ca 0.42 -1.15 -0.17 0.00 0.00 0.00 0.00 44.72 43.81 3i6e s GLY 300 CO -0.05 -0.53 0.65 0.51 0.00 0.00 0.00 173.10 173.68 3i6e s ASP 301 N -4.74 -0.14 0.00 1.64 -4.77 -1.26 -4.50 116.67 102.90 3i6e s ASP 301 Ca 0.68 -0.79 0.00 0.00 -3.30 0.00 0.00 52.55 49.14 3i6e s ASP 301 Cb -0.07 0.70 0.00 0.00 -1.09 0.00 0.00 42.92 42.46 3i6e s ASP 301 CO 0.49 -1.32 0.00 0.23 0.70 0.00 0.00 175.17 175.27 3i6e n MET 302 N -0.45 2.17 -2.57 2.11 2.81 -1.26 -4.98 117.12 114.96 3i6e n MET 302 Ca -0.04 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.42 3i6e n MET 302 Cb 0.60 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.11 3i6e n MET 302 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3i6e n PHE 303 N -0.39 4.48 -3.70 2.03 3.72 -1.26 -4.92 117.46 117.42 3i6e n PHE 303 Ca 0.00 -3.01 -0.22 0.00 -0.05 0.00 0.00 57.45 54.17 3i6e n PHE 303 Cb 0.00 -2.44 -0.04 0.00 -0.94 0.00 0.00 39.48 36.06 3i6e n PHE 303 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 3i6e s GLU 304 N 2.98 2.48 0.11 -1.08 -1.05 -1.26 -4.85 118.70 116.03 3i6e s GLU 304 Ca 0.49 -1.58 0.02 0.00 -0.15 0.00 0.00 54.97 53.74 3i6e s GLU 304 Cb 0.04 -2.30 0.02 0.00 -0.44 0.00 0.00 34.13 31.44 3i6e s GLU 304 CO 0.03 -0.16 0.13 0.00 0.95 0.00 0.00 175.26 176.21 3i6e n ALA 305 N -1.47 0.21 -0.17 -0.84 0.00 -1.26 -4.39 120.51 112.60 3i6e n ALA 305 Ca 0.02 -0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.11 3i6e n ALA 305 Cb 0.62 0.14 0.37 0.00 0.00 0.00 0.00 19.45 20.58 3i6e n ALA 305 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i6e h GLY 306 N 0.06 0.91 0.99 0.00 0.00 -1.96 -1.54 103.07 101.53 3i6e h GLY 306 Ca -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3i6e h GLY 306 CO 0.09 0.20 -0.08 -2.00 0.00 0.00 0.00 176.54 174.75 3i6e h LEU 307 N 0.71 -0.20 -0.86 3.11 5.85 -1.96 0.09 115.31 122.05 3i6e h LEU 307 Ca 0.31 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 3i6e h LEU 307 Cb 0.30 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3i6e h LEU 307 CO -0.10 -0.13 0.43 0.00 -0.34 0.00 0.00 178.44 178.30 3i6e h ALA 308 N 0.58 1.10 -0.95 1.25 0.00 -1.80 -2.25 119.26 117.19 3i6e h ALA 308 Ca -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3i6e h ALA 308 Cb 0.19 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3i6e h ALA 308 CO 0.04 0.65 0.62 0.45 0.00 0.00 0.00 179.25 181.01 3i6e h HIS 309 N 1.21 1.16 -0.17 0.00 3.86 -0.88 -1.19 115.15 119.15 3i6e h HIS 309 Ca 0.30 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.53 3i6e h HIS 309 Cb 0.09 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 3i6e h HIS 309 CO 0.01 0.68 0.07 -0.07 0.86 0.00 0.00 177.93 179.48 3i6e h LEU 310 N 1.21 0.23 -0.62 2.43 3.38 -0.41 0.50 115.31 122.03 3i6e h LEU 310 Ca 0.37 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.21 3i6e h LEU 310 Cb -0.01 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3i6e h LEU 310 CO -0.11 0.32 0.39 0.00 0.09 0.00 0.00 178.44 179.13 3i6e h ALA 311 N 0.91 0.79 -0.42 1.53 0.00 -1.04 -1.11 119.26 119.93 3i6e h ALA 311 Ca 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3i6e h ALA 311 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3i6e h ALA 311 CO -0.00 0.16 -0.02 0.78 0.00 0.00 0.00 179.25 180.16 3i6e h GLY 312 N 0.78 0.74 0.87 0.00 0.00 -1.04 -2.10 103.07 102.31 3i6e h GLY 312 Ca 0.24 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3i6e h GLY 312 CO -0.08 0.45 0.07 -0.84 0.00 0.00 0.00 176.54 176.14 3i6e h THR 313 N 0.64 1.19 -0.81 4.70 2.02 -0.11 -1.56 112.91 118.98 3i6e h THR 313 Ca 0.13 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 3i6e h THR 313 Cb 0.43 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 3i6e h THR 313 CO 0.02 0.19 0.35 0.45 0.37 0.00 0.00 175.52 176.90 3i6e h HIS 314 N 0.18 1.21 0.02 3.16 3.86 -1.11 -0.64 115.15 121.83 3i6e h HIS 314 Ca 0.07 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3i6e h HIS 314 Cb 0.24 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3i6e h HIS 314 CO 0.00 0.90 -0.01 1.98 0.86 0.00 0.00 177.93 181.66 3i6e h MET 315 N 1.17 -0.03 -0.17 2.45 -1.53 -1.14 -2.58 114.93 113.10 3i6e h MET 315 Ca 0.27 0.00 -0.06 0.00 -3.44 0.00 0.00 59.70 56.48 3i6e h MET 315 Cb 0.18 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.22 3i6e h MET 315 CO -0.03 -0.01 -0.16 0.82 0.14 0.00 0.00 176.91 177.67 3i6e h ILE 316 N -0.04 1.20 -0.05 1.77 2.04 -1.11 -2.36 117.51 118.97 3i6e h ILE 316 Ca -0.00 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 3i6e h ILE 316 Cb 0.03 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3i6e h ILE 316 CO 0.01 0.29 -0.04 0.00 0.00 0.00 0.00 178.15 178.40 3i6e h ALA 317 N 1.58 1.85 -0.64 1.87 0.00 -0.73 -1.71 119.26 121.47 3i6e h ALA 317 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i6e h ALA 317 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3i6e h ALA 317 CO 0.03 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3i6e n ALA 318 N -2.52 2.81 -3.69 0.00 0.00 -0.91 -0.05 120.51 116.14 3i6e n ALA 318 Ca -0.02 -1.51 -0.29 0.00 0.00 0.00 0.00 53.44 51.62 3i6e n ALA 318 Cb 0.15 -0.94 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 3i6e n ALA 318 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i6e s THR 319 N -1.57 1.37 0.61 0.00 2.01 -0.64 -4.88 115.64 112.53 3i6e s THR 319 Ca 0.49 -2.62 0.33 0.00 0.31 0.00 0.00 61.69 60.20 3i6e s THR 319 Cb 0.30 -1.95 0.37 0.00 0.01 0.00 0.00 72.50 71.23 3i6e s THR 319 CO 0.26 -0.93 2.25 1.55 -0.69 0.00 0.00 174.62 177.06 3i6e h PRO 320 N 6.60 0.00 0.00 4.92 0.13 -1.86 -2.32 132.00 139.47 3i6e h PRO 320 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 3i6e h PRO 320 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 3i6e h PRO 320 CO 0.48 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.15 3i6e h GLU 321 N 0.00 0.00 -5.75 0.86 3.07 -1.93 -3.37 114.58 107.46 3i6e h GLU 321 Ca 0.02 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.26 3i6e h GLU 321 Cb 0.11 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.89 3i6e h GLU 321 CO -0.00 0.03 0.58 0.42 -1.40 0.00 0.00 179.01 178.64 3i6e s ILE 322 N -4.73 4.34 -0.35 3.13 1.01 -0.88 -4.07 121.20 119.66 3i6e s ILE 322 Ca -0.05 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.73 3i6e s ILE 322 Cb 0.16 -4.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.03 3i6e s ILE 322 CO 0.60 -1.25 0.40 0.35 0.00 0.00 0.00 174.94 175.05 3i6e n THR 323 N 6.12 0.00 0.59 2.92 -2.24 -1.06 -4.73 114.28 115.88 3i6e n THR 323 Ca 0.00 -0.46 0.06 0.00 -2.27 0.00 0.00 64.05 61.38 3i6e n THR 323 Cb 0.47 1.04 0.19 0.00 -2.10 0.00 0.00 70.33 69.93 3i6e n THR 323 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i6e n LEU 324 N -0.39 2.40 0.00 3.22 4.77 -1.06 -5.05 117.00 120.88 3i6e n LEU 324 Ca 0.02 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 3i6e n LEU 324 Cb 0.08 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3i6e n LEU 324 CO 0.05 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3i6e n GLY 325 N 1.00 -2.73 3.22 -0.72 0.00 -1.26 -4.80 105.19 99.90 3i6e n GLY 325 Ca 0.14 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 3i6e n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e n GLU 327 N -0.23 3.14 -1.91 0.00 0.28 -0.67 -0.63 120.64 120.61 3i6e n GLU 327 Ca -0.04 -4.10 -0.42 0.00 -0.16 0.00 0.00 57.16 52.45 3i6e n GLU 327 Cb 0.64 -2.11 -0.00 0.00 1.43 0.00 0.00 31.44 31.40 3i6e n GLU 327 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3i6e n PHE 328 N -0.60 3.11 0.43 -1.84 3.72 -1.26 -4.52 117.46 116.51 3i6e n PHE 328 Ca 0.35 -2.91 0.08 0.00 -0.05 0.00 0.00 57.45 54.92 3i6e n PHE 328 Cb 0.86 -2.28 -0.11 0.00 -0.94 0.00 0.00 39.48 37.01 3i6e n PHE 328 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3i6e n TYR 329 N 4.65 0.00 -0.23 1.38 0.18 -1.26 -4.66 117.16 117.21 3i6e n TYR 329 Ca 0.52 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 60.25 3i6e n TYR 329 Cb 0.35 -0.18 0.06 0.00 -0.38 0.00 0.00 39.34 39.18 3i6e n TYR 329 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3i6e h GLN 330 N 0.00 0.84 -0.27 -3.48 7.50 -1.84 0.39 115.11 118.25 3i6e h GLN 330 Ca 0.00 -0.05 0.03 0.00 0.50 0.00 0.00 58.65 59.13 3i6e h GLN 330 Cb 0.59 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.91 3i6e h GLN 330 CO 0.00 0.55 0.18 0.00 -1.50 0.00 0.00 178.83 178.07 3i6e h ALA 331 N 1.26 1.95 0.04 3.87 0.00 -1.83 0.13 119.26 124.69 3i6e h ALA 331 Ca 0.25 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.88 3i6e h ALA 331 Cb -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3i6e h ALA 331 CO -0.07 0.01 -1.48 0.77 0.00 0.00 0.00 179.25 178.47 3i6e h SER 332 N 0.24 0.14 -0.01 0.00 0.02 -1.76 -3.42 113.55 108.76 3i6e h SER 332 Ca 0.11 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 3i6e h SER 332 Cb 0.15 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3i6e h SER 332 CO -0.02 1.61 -0.04 -1.22 -1.14 0.00 0.00 176.83 176.01 3i6e n TYR 333 N -4.13 0.00 -0.00 3.45 4.01 0.09 -4.84 117.16 115.74 3i6e n TYR 333 Ca -0.32 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.42 3i6e n TYR 333 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.83 3i6e n TYR 333 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3i6e n PHE 334 N 0.33 0.00 -2.67 -0.72 7.35 0.07 -4.99 117.46 116.83 3i6e n PHE 334 Ca 0.05 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.33 3i6e n PHE 334 Cb 0.21 -0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.00 3i6e n PHE 334 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3i6e s LEU 335 N -5.58 4.49 0.24 -2.13 1.43 0.25 -4.41 118.68 112.96 3i6e s LEU 335 Ca -0.00 1.87 -0.06 0.00 -1.03 0.00 0.00 54.13 54.90 3i6e s LEU 335 Cb 0.00 -3.59 0.24 0.00 0.03 0.00 0.00 46.19 42.87 3i6e s LEU 335 CO 0.00 -0.12 1.89 -1.13 0.23 0.00 0.00 176.35 177.22 3i6e h ASN 336 N 5.55 1.14 -3.56 2.29 -1.24 -1.43 -3.43 115.58 114.90 3i6e h ASN 336 Ca -0.43 -0.07 -0.20 0.00 0.71 0.00 0.00 56.30 56.32 3i6e h ASN 336 Cb 1.21 -0.29 -0.28 0.00 0.73 0.00 0.00 38.32 39.69 3i6e h ASN 336 CO 0.72 0.87 -0.51 -0.70 -1.29 0.00 0.00 177.43 176.53 3i6e s GLU 337 N -5.97 0.20 0.55 6.67 2.12 -1.26 -5.09 118.70 115.93 3i6e s GLU 337 Ca -0.13 0.39 -0.05 0.00 0.36 0.00 0.00 54.97 55.54 3i6e s GLU 337 Cb 0.17 -0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.53 3i6e s GLU 337 CO 0.82 -0.10 0.86 0.34 -0.54 0.00 0.00 175.26 176.64 3i6e s ASP 338 N 0.74 5.79 0.00 -1.70 2.15 -1.26 -4.89 116.67 117.50 3i6e s ASP 338 Ca -0.05 0.75 0.26 0.00 0.43 0.00 0.00 52.55 53.94 3i6e s ASP 338 Cb -0.07 -1.85 0.58 0.00 -0.30 0.00 0.00 42.92 41.29 3i6e s ASP 338 CO -0.04 -0.91 1.46 2.30 -0.17 0.00 0.00 175.17 177.81 3i6e n ILE 339 N -2.47 0.00 -1.98 4.11 -5.35 -1.26 -4.94 119.36 107.46 3i6e n ILE 339 Ca 0.03 -0.16 -0.32 0.00 -0.27 0.00 0.00 62.75 62.03 3i6e n ILE 339 Cb 0.57 0.60 0.01 0.00 -1.74 0.00 0.00 39.64 39.08 3i6e n ILE 339 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i6e s LEU 340 N -2.49 3.40 0.14 7.28 1.43 -1.26 0.27 118.68 127.44 3i6e s LEU 340 Ca 0.23 1.66 -0.08 0.00 -1.03 0.00 0.00 54.13 54.91 3i6e s LEU 340 Cb 0.19 -4.51 -0.06 0.00 0.03 0.00 0.00 46.19 41.84 3i6e s LEU 340 CO 0.53 -1.06 1.37 -0.33 0.23 0.00 0.00 176.35 177.08 3i6e h GLU 341 N 0.16 0.64 -6.36 1.70 5.08 -1.52 -3.42 114.58 110.86 3i6e h GLU 341 Ca -0.46 -0.51 -0.69 0.00 -1.00 0.00 0.00 59.36 56.70 3i6e h GLU 341 Cb 1.21 0.11 -0.30 0.00 0.50 0.00 0.00 28.75 30.26 3i6e h GLU 341 CO 0.59 1.13 -0.89 0.95 -1.00 0.00 0.00 179.01 179.80 3i6e s THR 342 N -3.71 2.01 0.50 1.13 -4.23 -1.26 -5.06 115.64 105.01 3i6e s THR 342 Ca -0.08 -1.07 -0.21 0.00 -1.18 0.00 0.00 61.69 59.14 3i6e s THR 342 Cb 0.09 -1.68 -0.09 0.00 1.34 0.00 0.00 72.50 72.16 3i6e s THR 342 CO 0.88 0.57 0.80 -2.65 -0.54 0.00 0.00 174.62 173.68 3i6e n PRO 343 N 2.62 0.91 -2.11 3.99 -0.02 -1.26 -4.89 135.00 134.24 3i6e n PRO 343 Ca -0.16 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.23 3i6e n PRO 343 Cb 0.51 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 3i6e n PRO 343 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i6e s PHE 344 N -1.47 2.17 -0.08 6.00 5.36 -1.26 -4.93 117.98 123.77 3i6e s PHE 344 Ca 0.67 0.43 -0.30 0.00 -0.96 0.00 0.00 56.93 56.78 3i6e s PHE 344 Cb -0.51 -3.85 -0.04 0.00 -0.34 0.00 0.00 43.02 38.28 3i6e s PHE 344 CO 0.54 -3.22 1.46 1.03 -1.46 0.00 0.00 175.22 173.57 3i6e s ARG 345 N 4.10 4.22 -0.06 10.12 0.52 -1.26 -4.97 118.95 131.61 3i6e s ARG 345 Ca 0.69 1.96 -0.02 0.00 -0.52 0.00 0.00 55.73 57.84 3i6e s ARG 345 Cb -0.29 -3.82 0.04 0.00 0.52 0.00 0.00 34.95 31.40 3i6e s ARG 345 CO 0.27 -0.74 0.12 0.08 0.02 0.00 0.00 175.30 175.04 3i6e s VAL 346 N 3.50 -0.15 -0.03 3.52 1.01 -1.26 -1.39 120.40 125.60 3i6e s VAL 346 Ca 0.65 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.94 3i6e s VAL 346 Cb -0.29 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 35.89 3i6e s VAL 346 CO 0.24 0.13 -0.01 -1.61 0.00 0.00 0.00 175.10 173.84 3i6e s GLU 347 N 1.82 0.44 -1.35 2.72 2.02 -0.14 -4.83 118.70 119.39 3i6e s GLU 347 Ca -0.01 0.03 -0.04 0.00 0.02 0.00 0.00 54.97 54.96 3i6e s GLU 347 Cb -0.12 -0.58 0.02 0.00 0.10 0.00 0.00 34.13 33.55 3i6e s GLU 347 CO -0.05 -0.12 0.89 0.00 0.02 0.00 0.00 175.26 176.00 3i6e n ALA 348 N 4.10 -1.75 -1.29 5.21 0.00 -1.26 -1.56 120.51 123.97 3i6e n ALA 348 Ca -0.26 0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 3i6e n ALA 348 Cb 0.50 -3.12 -0.04 0.00 0.00 0.00 0.00 19.45 16.79 3i6e n ALA 348 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6e n GLY 349 N -1.58 1.03 3.16 0.00 0.00 -1.16 -4.73 105.19 101.91 3i6e n GLY 349 Ca -0.18 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 3i6e n GLY 349 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6e s GLN 350 N -2.65 2.70 0.16 1.61 -1.52 -0.60 -1.54 119.66 117.82 3i6e s GLN 350 Ca 0.00 -0.75 -0.30 0.00 -1.95 0.00 0.00 55.36 52.35 3i6e s GLN 350 Cb 0.00 -2.10 -0.08 0.00 -0.22 0.00 0.00 33.01 30.61 3i6e s GLN 350 CO 0.00 0.10 1.23 0.08 -0.25 0.00 0.00 175.29 176.45 3i6e s VAL 351 N 0.53 3.58 -0.13 1.09 1.01 0.96 -0.97 120.40 126.47 3i6e s VAL 351 Ca -0.15 1.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.89 3i6e s VAL 351 Cb -0.17 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3i6e s VAL 351 CO 0.06 0.17 0.58 -0.63 0.00 0.00 0.00 175.10 175.28 3i6e s ILE 352 N 0.26 5.10 -0.29 2.22 -1.09 -0.48 -1.66 121.20 125.26 3i6e s ILE 352 Ca 0.55 1.15 -0.28 0.00 -2.23 0.00 0.00 60.65 59.85 3i6e s ILE 352 Cb -0.33 -3.91 0.01 0.00 -1.58 0.00 0.00 42.46 36.65 3i6e s ILE 352 CO 0.35 0.24 0.99 -0.69 -1.23 0.00 0.00 174.94 174.60 3i6e s VAL 353 N 1.09 4.64 0.62 2.92 1.01 -0.46 -4.82 120.40 125.40 3i6e s VAL 353 Ca 0.30 1.70 -0.17 0.00 0.00 0.00 0.00 61.98 63.80 3i6e s VAL 353 Cb -0.16 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 3i6e s VAL 353 CO 0.12 -0.32 1.17 -2.84 0.00 0.00 0.00 175.10 173.23 3i6e s PRO 354 N 3.33 2.88 0.00 2.72 0.02 -1.26 -4.96 135.00 137.72 3i6e s PRO 354 Ca 0.42 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3i6e s PRO 354 Cb -0.14 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.45 3i6e s PRO 354 CO 0.12 -1.24 0.40 -0.25 -0.33 0.00 0.00 177.00 175.69 3i6e n ASP 355 N -1.90 0.79 -4.43 2.53 8.00 -1.26 -4.94 116.55 115.34 3i6e n ASP 355 Ca 0.12 -0.93 -0.29 0.00 0.71 0.00 0.00 54.79 54.40 3i6e n ASP 355 Cb 0.51 0.13 0.16 0.00 -0.02 0.00 0.00 41.12 41.89 3i6e n ASP 355 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i6e s GLY 356 N -0.13 1.64 0.51 0.44 0.00 -1.26 -4.41 107.32 104.11 3i6e s GLY 356 Ca 0.00 -0.82 -0.23 0.00 0.00 0.00 0.00 44.72 43.67 3i6e s GLY 356 CO 0.00 -0.14 1.40 -1.05 0.00 0.00 0.00 173.10 173.30 3i6e n PRO 357 N -3.90 1.93 0.00 2.90 -0.02 -1.26 -3.28 135.00 131.38 3i6e n PRO 357 Ca 0.10 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3i6e n PRO 357 Cb 0.60 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3i6e n PRO 357 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6e n GLY 358 N 0.68 1.07 0.26 -1.23 0.00 -0.11 -2.95 105.19 102.91 3i6e n GLY 358 Ca 0.08 -0.68 0.17 0.00 0.00 0.00 0.00 46.02 45.59 3i6e n GLY 358 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6e h LEU 359 N 0.00 0.00 0.00 0.99 3.38 -1.85 -1.86 115.31 115.97 3i6e h LEU 359 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i6e h LEU 359 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i6e h LEU 359 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3i6e n GLY 360 N -0.12 0.43 3.54 0.83 0.00 -1.15 -4.84 105.19 103.88 3i6e n GLY 360 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 3i6e n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e s ALA 361 N -2.00 -1.79 -0.07 4.61 0.00 -1.26 -4.94 121.76 116.31 3i6e s ALA 361 Ca 0.00 1.43 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 3i6e s ALA 361 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3i6e s ALA 361 CO 0.00 -0.36 -0.00 1.03 0.00 0.00 0.00 175.76 176.43 3i6e s ARG 362 N -0.99 2.92 0.48 0.00 0.52 -1.26 -5.00 118.95 115.63 3i6e s ARG 362 Ca -0.09 -0.46 -0.23 0.00 -0.52 0.00 0.00 55.73 54.44 3i6e s ARG 362 Cb -0.01 -2.75 -0.07 0.00 0.52 0.00 0.00 34.95 32.64 3i6e s ARG 362 CO 0.08 0.69 1.25 0.00 0.02 0.00 0.00 175.30 177.34 3i6e s ALA 363 N -0.92 2.97 -0.50 2.13 0.00 -1.26 -1.41 121.76 122.77 3i6e s ALA 363 Ca 0.14 1.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.96 3i6e s ALA 363 Cb -0.11 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3i6e s ALA 363 CO 0.04 -0.92 1.00 0.34 0.00 0.00 0.00 175.76 176.21 3i6e s ASP 364 N -1.12 6.48 0.39 0.00 -1.08 0.14 -4.71 116.67 116.77 3i6e s ASP 364 Ca 0.65 0.06 0.14 0.00 -0.52 0.00 0.00 52.55 52.89 3i6e s ASP 364 Cb -0.34 -2.48 0.99 0.00 -1.46 0.00 0.00 42.92 39.63 3i6e s ASP 364 CO 0.41 -1.18 1.83 1.55 0.52 0.00 0.00 175.17 178.30 3i6e h PRO 365 N 9.22 0.49 -0.39 4.34 0.13 -1.92 -0.31 132.00 143.57 3i6e h PRO 365 Ca -0.24 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 3i6e h PRO 365 Cb 1.07 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3i6e h PRO 365 CO 1.08 0.33 -0.22 0.93 -0.23 0.00 0.00 178.00 179.88 3i6e h GLU 366 N 0.51 0.84 -0.26 0.86 5.08 -1.97 -2.11 114.58 117.53 3i6e h GLU 366 Ca 0.50 -0.38 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 3i6e h GLU 366 Cb 1.10 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3i6e h GLU 366 CO -0.23 1.02 -0.28 0.87 -1.00 0.00 0.00 179.01 179.39 3i6e h LYS 367 N 0.64 0.53 -0.69 2.33 1.57 -1.58 0.48 116.57 119.85 3i6e h LYS 367 Ca 0.08 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 3i6e h LYS 367 Cb 0.78 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3i6e h LYS 367 CO 0.06 0.75 0.20 -0.07 -0.57 0.00 0.00 179.45 179.82 3i6e h LEU 368 N 0.46 1.01 -0.19 2.94 3.38 -0.97 -1.18 115.31 120.76 3i6e h LEU 368 Ca 0.06 -0.19 -0.22 0.00 0.09 0.00 0.00 57.88 57.62 3i6e h LEU 368 Cb 0.72 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.21 3i6e h LEU 368 CO 0.06 0.95 -0.88 -0.08 0.09 0.00 0.00 178.44 178.58 3i6e h GLU 369 N 1.03 0.54 -0.53 1.13 4.57 -1.05 -2.48 114.58 117.80 3i6e h GLU 369 Ca 0.22 -0.52 -0.10 0.00 -1.18 0.00 0.00 59.36 57.78 3i6e h GLU 369 Cb 0.32 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3i6e h GLU 369 CO -0.00 1.15 -0.07 1.25 -1.18 0.00 0.00 179.01 180.15 3i6e h HIS 370 N 0.34 1.09 -0.11 0.92 2.76 -0.66 -3.22 115.15 116.27 3i6e h HIS 370 Ca -0.07 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 3i6e h HIS 370 Cb 1.50 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 30.19 3i6e h HIS 370 CO 0.07 1.01 0.00 0.66 -1.30 0.00 0.00 177.93 178.37 3i6e n TYR 371 N -4.21 0.11 -2.38 5.26 4.01 -0.47 -4.97 117.16 114.52 3i6e n TYR 371 Ca 0.01 -0.06 -0.40 0.00 -0.16 0.00 0.00 57.90 57.29 3i6e n TYR 371 Cb 0.38 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.37 3i6e n TYR 371 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i6e s ALA 372 N -1.89 3.42 -0.70 -0.72 0.00 -0.93 -1.72 121.76 119.22 3i6e s ALA 372 Ca 0.32 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.33 3i6e s ALA 372 Cb 0.21 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 20.04 3i6e s ALA 372 CO 0.31 -0.29 0.82 1.33 0.00 0.00 0.00 175.76 177.92 3i6e n VAL 373 N 1.04 0.27 -3.65 0.00 0.24 0.64 -4.92 118.33 111.96 3i6e n VAL 373 Ca -0.01 -0.64 -0.03 0.00 -2.04 0.00 0.00 64.34 61.63 3i6e n VAL 373 Cb 0.44 0.96 -0.07 0.00 -1.47 0.00 0.00 33.84 33.70 3i6e n VAL 373 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3i6e s ARG 374 N -0.64 0.09 0.00 7.34 3.52 -1.19 -4.97 118.95 123.09 3i6e s ARG 374 Ca 0.09 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 3i6e s ARG 374 Cb 0.06 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 3i6e s ARG 374 CO 0.08 -0.01 0.00 2.89 -0.81 0.00 0.00 175.30 177.45