#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 0.14 -1.53 3.23 -0.58 -1.26 -0.99 120.64 119.64 3i6e n GLU 7 Ca 0.00 0.12 -0.37 0.00 -0.42 0.00 0.00 57.16 56.49 3i6e n GLU 7 Cb 0.00 -1.66 0.06 0.00 -0.57 0.00 0.00 31.44 29.26 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 -1.90 0.71 -4.03 3.49 6.02 -1.26 -4.68 117.38 115.72 3i6e n GLN 8 Ca 0.06 0.28 -0.29 0.00 -0.01 0.00 0.00 57.00 57.04 3i6e n GLN 8 Cb 0.38 -2.07 -0.05 0.00 1.02 0.00 0.00 30.24 29.52 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 3.03 -0.27 -1.09 1.02 -1.26 -1.16 119.74 117.27 3i6e s LYS 9 Ca 0.74 -0.68 -0.28 0.00 0.02 0.00 0.00 55.97 55.77 3i6e s LYS 9 Cb -0.40 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 3i6e s LYS 9 CO 0.49 0.55 1.00 0.42 -0.92 0.00 0.00 175.35 176.89 3i6e s ILE 10 N -1.53 4.66 -0.30 2.17 -1.09 0.55 -1.19 121.20 124.48 3i6e s ILE 10 Ca 0.31 1.80 0.17 0.00 -2.23 0.00 0.00 60.65 60.70 3i6e s ILE 10 Cb -0.12 -4.30 -0.24 0.00 -1.58 0.00 0.00 42.46 36.22 3i6e s ILE 10 CO 0.24 -0.26 0.50 2.30 -1.23 0.00 0.00 174.94 176.49 3i6e n ILE 11 N 5.50 0.00 -3.80 2.92 -5.35 0.62 -0.16 119.36 119.09 3i6e n ILE 11 Ca 0.10 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.16 3i6e n ILE 11 Cb 0.47 0.42 -0.10 0.00 -1.74 0.00 0.00 39.64 38.69 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 -3.01 -0.63 -0.11 -1.28 0.00 -1.14 -4.91 121.76 110.69 3i6e s ALA 12 Ca -0.02 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 3i6e s ALA 12 Cb 0.12 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.18 3i6e s ALA 12 CO 0.72 -0.20 -0.04 1.41 0.00 0.00 0.00 175.76 177.64 3i6e s MET 13 N -0.87 1.19 -0.01 0.00 1.75 -1.26 -1.97 119.30 118.13 3i6e s MET 13 Ca -0.09 -0.17 0.08 0.00 -1.25 0.00 0.00 55.69 54.25 3i6e s MET 13 Cb -0.05 -1.45 -0.02 0.00 2.84 0.00 0.00 34.83 36.15 3i6e s MET 13 CO 0.02 -0.31 -0.25 -0.51 -0.65 0.00 0.00 175.02 173.32 3i6e s ASP 14 N 1.79 3.15 0.08 1.11 1.01 -0.49 -4.98 116.67 118.34 3i6e s ASP 14 Ca 0.04 -0.46 0.07 0.00 0.71 0.00 0.00 52.55 52.91 3i6e s ASP 14 Cb -0.13 -0.38 -0.03 0.00 1.01 0.00 0.00 42.92 43.39 3i6e s ASP 14 CO -0.07 0.31 -0.18 -0.76 0.21 0.00 0.00 175.17 174.68 3i6e s LEU 15 N -0.70 2.26 -0.05 1.23 1.43 -1.26 -0.89 118.68 120.71 3i6e s LEU 15 Ca 0.10 -0.62 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3i6e s LEU 15 Cb -0.10 -0.75 0.03 0.00 0.03 0.00 0.00 46.19 45.40 3i6e s LEU 15 CO -0.00 0.02 0.04 0.26 0.23 0.00 0.00 176.35 176.90 3i6e s TRP 16 N -1.12 0.20 -0.46 0.29 0.51 -0.42 -4.35 118.94 113.59 3i6e s TRP 16 Ca 0.03 0.15 -0.19 0.00 -2.12 0.00 0.00 56.10 53.98 3i6e s TRP 16 Cb -0.10 -0.55 0.04 0.00 -0.81 0.00 0.00 33.47 32.05 3i6e s TRP 16 CO 0.03 -0.22 0.57 -1.58 -0.51 0.00 0.00 176.95 175.24 3i6e s HIS 17 N 2.07 3.09 0.15 -1.98 5.65 0.13 -0.59 115.29 123.82 3i6e s HIS 17 Ca 0.04 -0.35 -0.00 0.00 0.25 0.00 0.00 55.06 55.00 3i6e s HIS 17 Cb -0.12 -3.28 -0.04 0.00 -1.18 0.00 0.00 32.58 27.96 3i6e s HIS 17 CO -0.03 -0.88 0.32 -0.51 -0.65 0.00 0.00 174.74 172.99 3i6e s LEU 18 N 2.53 4.29 -0.30 8.88 1.43 0.11 -0.06 118.68 135.55 3i6e s LEU 18 Ca 0.16 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 3i6e s LEU 18 Cb -0.17 -3.07 0.09 0.00 0.03 0.00 0.00 46.19 43.07 3i6e s LEU 18 CO 0.15 0.04 0.04 0.00 0.23 0.00 0.00 176.35 176.80 3i6e s ALA 19 N -1.73 2.14 -0.19 4.21 0.00 -0.47 -2.26 121.76 123.46 3i6e s ALA 19 Ca 0.37 -1.88 -0.08 0.00 0.00 0.00 0.00 51.96 50.37 3i6e s ALA 19 Cb -0.12 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 3i6e s ALA 19 CO 0.28 -1.54 0.08 -0.51 0.00 0.00 0.00 175.76 174.08 3i6e s LEU 20 N 1.30 3.92 0.40 0.00 1.43 0.40 -4.84 118.68 121.29 3i6e s LEU 20 Ca 0.06 0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.01 3i6e s LEU 20 Cb -0.18 -2.00 -0.09 0.00 0.03 0.00 0.00 46.19 43.95 3i6e s LEU 20 CO -0.14 0.17 1.25 -2.84 0.23 0.00 0.00 176.35 175.02 3i6e s PRO 21 N 0.42 4.02 -0.01 1.29 0.02 -1.26 -1.09 135.00 138.39 3i6e s PRO 21 Ca 0.04 2.03 -0.02 0.00 0.02 0.00 0.00 61.00 63.07 3i6e s PRO 21 Cb -0.12 -2.74 -0.01 0.00 0.02 0.00 0.00 34.50 31.65 3i6e s PRO 21 CO -0.00 -0.41 -0.04 1.33 -0.33 0.00 0.00 177.00 177.55 3i6e n VAL 22 N 0.14 0.28 0.00 3.83 0.24 -1.26 -0.87 118.33 120.70 3i6e n VAL 22 Ca 0.04 0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.60 3i6e n VAL 22 Cb 0.45 -1.41 0.00 0.00 -1.47 0.00 0.00 33.84 31.40 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 -1.74 3.93 0.11 0.00 2.02 -1.26 -0.45 118.70 121.30 3i6e s GLU 38 Ca 0.00 0.03 -0.06 0.00 0.02 0.00 0.00 54.97 54.96 3i6e s GLU 38 Cb 0.00 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 3i6e s GLU 38 CO 0.00 0.50 0.16 0.96 0.02 0.00 0.00 175.26 176.90 3i6e s ILE 39 N -0.31 0.13 -0.14 -1.63 -4.36 -0.96 -4.48 121.20 109.46 3i6e s ILE 39 Ca 0.16 -1.45 0.02 0.00 -0.26 0.00 0.00 60.65 59.12 3i6e s ILE 39 Cb -0.13 -1.61 0.01 0.00 1.25 0.00 0.00 42.46 41.98 3i6e s ILE 39 CO 0.05 -0.59 -0.21 -0.69 0.24 0.00 0.00 174.94 173.73 3i6e s VAL 40 N -3.93 2.01 -0.13 8.37 1.01 0.02 0.03 120.40 127.78 3i6e s VAL 40 Ca 0.11 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 3i6e s VAL 40 Cb 0.05 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3i6e s VAL 40 CO -0.06 0.54 0.06 -0.69 0.00 0.00 0.00 175.10 174.95 3i6e s VAL 41 N 0.84 4.83 -0.05 2.92 1.01 0.24 -0.58 120.40 129.61 3i6e s VAL 41 Ca -0.07 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.92 3i6e s VAL 41 Cb -0.15 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 3i6e s VAL 41 CO -0.02 0.56 -0.20 -0.22 0.00 0.00 0.00 175.10 175.22 3i6e s LEU 42 N -0.52 2.36 -0.09 3.92 2.96 0.59 -1.30 118.68 126.60 3i6e s LEU 42 Ca 0.10 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3i6e s LEU 42 Cb -0.12 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.13 3i6e s LEU 42 CO 0.02 0.29 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.57 3i6e s ARG 43 N -0.40 2.23 0.02 1.98 3.52 -0.07 -1.39 118.95 124.84 3i6e s ARG 43 Ca 0.04 -0.59 0.06 0.00 -0.13 0.00 0.00 55.73 55.11 3i6e s ARG 43 Cb -0.12 -1.79 -0.03 0.00 -1.56 0.00 0.00 34.95 31.45 3i6e s ARG 43 CO 0.02 0.05 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.87 3i6e s LEU 44 N 0.65 2.61 -0.06 -0.88 1.43 0.85 -1.40 118.68 121.87 3i6e s LEU 44 Ca -0.14 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 3i6e s LEU 44 Cb -0.16 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.55 3i6e s LEU 44 CO 0.04 0.28 -0.09 -0.69 0.23 0.00 0.00 176.35 176.12 3i6e s VAL 45 N -0.86 0.88 0.56 -1.59 1.01 -0.83 -0.29 120.40 119.26 3i6e s VAL 45 Ca 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3i6e s VAL 45 Cb -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.45 3i6e s VAL 45 CO 0.04 0.30 0.83 0.00 0.00 0.00 0.00 175.10 176.27 3i6e s ALA 46 N 0.81 3.49 0.28 5.51 0.00 -0.72 -0.28 121.76 130.85 3i6e s ALA 46 Ca -0.12 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 50.95 3i6e s ALA 46 Cb -0.15 -2.41 0.55 0.00 0.00 0.00 0.00 23.12 21.11 3i6e s ALA 46 CO 0.02 -0.72 1.82 0.93 0.00 0.00 0.00 175.76 177.81 3i6e h GLU 47 N -0.02 0.90 0.00 0.00 5.08 -1.50 0.36 114.58 119.40 3i6e h GLU 47 Ca -0.45 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3i6e h GLU 47 Cb 1.27 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3i6e h GLU 47 CO 0.59 0.59 0.00 0.41 -1.00 0.00 0.00 179.01 179.60 3i6e n GLY 48 N -1.34 -0.55 1.37 -3.84 0.00 -1.26 -4.85 105.19 94.72 3i6e n GLY 48 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.09 1.83 3.71 -0.02 0.00 0.12 -5.05 105.19 105.87 3i6e n GLY 49 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3i6e n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6e n ALA 50 N -1.16 0.85 -2.46 4.61 0.00 -1.26 -4.72 120.51 116.37 3i6e n ALA 50 Ca 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 3i6e n ALA 50 Cb 0.00 -2.29 -0.15 0.00 0.00 0.00 0.00 19.45 17.01 3i6e n ALA 50 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i6e s GLU 51 N -3.45 1.52 -0.04 0.00 2.02 -1.26 -1.76 118.70 115.74 3i6e s GLU 51 Ca 0.81 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 55.06 3i6e s GLU 51 Cb -0.37 -1.53 -0.01 0.00 0.10 0.00 0.00 34.13 32.33 3i6e s GLU 51 CO 0.43 0.41 -0.20 0.20 0.02 0.00 0.00 175.26 176.12 3i6e s GLY 52 N -0.71 1.03 0.04 -1.39 0.00 0.60 -4.38 107.32 102.51 3i6e s GLY 52 Ca 0.07 -0.82 0.08 0.00 0.00 0.00 0.00 44.72 44.05 3i6e s GLY 52 CO 0.00 -0.53 -0.23 -1.36 0.00 0.00 0.00 173.10 170.99 3i6e s PHE 53 N -0.16 2.43 -0.02 1.90 0.08 -1.26 -0.11 117.98 120.85 3i6e s PHE 53 Ca -0.00 -0.34 -0.09 0.00 0.12 0.00 0.00 56.93 56.61 3i6e s PHE 53 Cb -0.11 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.93 3i6e s PHE 53 CO 0.02 0.18 0.20 0.20 -0.10 0.00 0.00 175.22 175.72 3i6e s GLY 54 N -1.32 -0.05 -0.00 4.36 0.00 -0.49 -3.14 107.32 106.69 3i6e s GLY 54 Ca 0.13 0.13 0.07 0.00 0.00 0.00 0.00 44.72 45.06 3i6e s GLY 54 CO 0.03 -0.02 -0.24 1.85 0.00 0.00 0.00 173.10 174.73 3i6e s GLU 55 N -1.10 1.84 -0.16 2.90 2.12 -1.26 -0.30 118.70 122.73 3i6e s GLU 55 Ca -0.12 -0.88 0.01 0.00 0.36 0.00 0.00 54.97 54.34 3i6e s GLU 55 Cb -0.06 -1.82 0.01 0.00 0.26 0.00 0.00 34.13 32.52 3i6e s GLU 55 CO 0.02 0.49 -0.17 0.00 -0.54 0.00 0.00 175.26 175.07 3i6e s ALA 56 N -0.60 2.43 -0.66 6.30 0.00 0.26 -3.84 121.76 125.64 3i6e s ALA 56 Ca 0.09 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 51.00 3i6e s ALA 56 Cb -0.09 -1.21 0.20 0.00 0.00 0.00 0.00 23.12 22.02 3i6e s ALA 56 CO -0.00 -0.14 0.59 0.43 0.00 0.00 0.00 175.76 176.64 3i6e n SER 57 N 4.26 3.11 -4.77 0.00 7.64 -1.26 -0.80 113.62 121.80 3i6e n SER 57 Ca -0.20 -3.26 -0.39 0.00 1.01 0.00 0.00 58.87 56.04 3i6e n SER 57 Cb 0.51 -0.71 -0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3i6e n SER 57 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3i6e s PRO 58 N -1.81 3.86 -0.34 1.43 0.02 -1.26 -4.57 135.00 132.33 3i6e s PRO 58 Ca 0.31 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.37 3i6e s PRO 58 Cb 0.04 -2.62 0.09 0.00 0.02 0.00 0.00 34.50 32.03 3i6e s PRO 58 CO -0.11 -0.53 0.06 -0.46 -0.33 0.00 0.00 177.00 175.63 3i6e s TRP 59 N -1.35 3.62 0.17 6.54 -0.00 -1.10 -4.79 118.94 122.03 3i6e s TRP 59 Ca 0.60 -2.69 -0.09 0.00 -0.00 0.00 0.00 56.10 53.92 3i6e s TRP 59 Cb -0.35 -2.81 0.23 0.00 -0.00 0.00 0.00 33.47 30.54 3i6e s TRP 59 CO 0.44 -0.94 1.02 0.00 -0.00 0.00 0.00 176.95 177.47 3i6e n ALA 60 N 4.39 0.03 0.57 5.86 0.00 -0.87 -0.41 120.51 130.08 3i6e n ALA 60 Ca -0.01 0.69 0.13 0.00 0.00 0.00 0.00 53.44 54.24 3i6e n ALA 60 Cb 0.42 -0.36 0.38 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 0.00 0.00 -1.51 -1.96 -3.34 116.25 109.45 3i6e h VAL 61 Ca 0.27 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 3i6e h VAL 61 Cb 0.43 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3i6e h VAL 61 CO -0.66 0.00 -0.21 0.49 -1.23 0.00 0.00 177.57 175.95 3i6e n PHE 62 N -2.36 0.00 0.02 5.19 3.72 0.45 -4.88 117.46 119.60 3i6e n PHE 62 Ca 0.05 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.40 3i6e n PHE 62 Cb 0.43 -0.11 -0.11 0.00 -0.94 0.00 0.00 39.48 38.76 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 -0.21 0.89 0.00 4.37 1.35 -1.49 -3.49 112.91 114.32 3i6e h THR 63 Ca 0.00 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 3i6e h THR 63 Cb 0.21 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3i6e h THR 63 CO 0.00 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3i6e n GLY 64 N 1.46 1.60 3.92 5.82 0.00 -1.00 -4.56 105.19 112.43 3i6e n GLY 64 Ca -0.11 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.30 5.12 0.42 2.61 -4.23 -1.26 -2.04 115.64 114.95 3i6e s THR 65 Ca 0.00 -0.24 0.09 0.00 -1.18 0.00 0.00 61.69 60.36 3i6e s THR 65 Cb 0.00 -3.76 0.23 0.00 1.34 0.00 0.00 72.50 70.30 3i6e s THR 65 CO 0.00 -0.32 2.02 1.55 -0.54 0.00 0.00 174.62 177.33 3i6e h PRO 66 N 1.58 0.34 -0.76 3.99 0.13 -1.93 -1.83 132.00 133.53 3i6e h PRO 66 Ca -0.48 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 3i6e h PRO 66 Cb 1.20 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 3i6e h PRO 66 CO 0.66 0.31 0.26 0.93 -0.23 0.00 0.00 178.00 179.92 3i6e h GLU 67 N 0.34 1.16 -0.23 0.86 3.07 -1.99 -0.75 114.58 117.04 3i6e h GLU 67 Ca 0.09 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.36 58.68 3i6e h GLU 67 Cb 0.11 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 3i6e h GLU 67 CO -0.01 0.98 0.04 0.00 -1.40 0.00 0.00 179.01 178.62 3i6e h ALA 68 N 1.13 0.31 -0.15 3.43 0.00 -1.74 -1.72 119.26 120.52 3i6e h ALA 68 Ca 0.25 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3i6e h ALA 68 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3i6e h ALA 68 CO -0.01 -0.01 -0.29 0.77 0.00 0.00 0.00 179.25 179.70 3i6e h SER 69 N 0.19 0.28 0.22 0.00 0.02 -1.36 -0.58 113.55 112.32 3i6e h SER 69 Ca 0.07 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3i6e h SER 69 Cb 0.32 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3i6e h SER 69 CO 0.00 0.57 -0.10 0.22 -1.14 0.00 0.00 176.83 176.38 3i6e h TYR 70 N 0.25 -0.27 -0.97 3.45 3.20 -0.99 -2.27 116.97 119.37 3i6e h TYR 70 Ca 0.04 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3i6e h TYR 70 Cb 0.65 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 3i6e h TYR 70 CO 0.01 0.00 0.63 0.00 -1.64 0.00 0.00 178.16 177.17 3i6e h ALA 71 N 0.19 1.24 -0.38 1.82 0.00 -1.21 -0.00 119.26 120.91 3i6e h ALA 71 Ca -0.03 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3i6e h ALA 71 Cb 0.40 -0.39 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3i6e h ALA 71 CO 0.05 0.64 0.01 0.00 0.00 0.00 0.00 179.25 179.95 3i6e h ALA 72 N 1.35 0.36 0.13 0.00 0.00 -0.95 0.20 119.26 120.35 3i6e h ALA 72 Ca 0.36 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 3i6e h ALA 72 Cb -0.13 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i6e h ALA 72 CO -0.07 -0.39 -0.06 -0.07 0.00 0.00 0.00 179.25 178.66 3i6e h LEU 73 N 0.12 -0.15 -0.38 0.00 3.38 -1.02 0.48 115.31 117.74 3i6e h LEU 73 Ca 0.19 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.82 3i6e h LEU 73 Cb 0.26 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3i6e h LEU 73 CO -0.31 0.38 0.10 -0.78 0.09 0.00 0.00 178.44 177.93 3i6e h ASP 74 N -0.75 0.06 0.00 -0.43 3.58 -0.85 -1.45 116.42 116.59 3i6e h ASP 74 Ca -0.02 0.06 -0.38 0.00 0.42 0.00 0.00 57.03 57.10 3i6e h ASP 74 Cb 0.54 0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.59 3i6e h ASP 74 CO 0.03 0.07 -2.33 -1.14 -2.88 0.00 0.00 179.24 172.99 3i6e n ARG 75 N -5.06 0.53 0.06 0.28 0.63 0.04 -4.46 116.66 108.68 3i6e n ARG 75 Ca 0.02 0.19 -0.18 0.00 -0.92 0.00 0.00 57.85 56.96 3i6e n ARG 75 Cb 0.16 -1.40 -0.14 0.00 0.45 0.00 0.00 32.46 31.53 3i6e n ARG 75 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3i6e h TYR 76 N -0.54 0.48 0.00 -0.14 0.05 -1.49 -3.39 116.97 111.94 3i6e h TYR 76 Ca -0.58 -0.35 -0.17 0.00 0.05 0.00 0.00 58.73 57.68 3i6e h TYR 76 Cb 1.63 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 39.32 3i6e h TYR 76 CO -0.04 1.44 -1.70 1.28 -1.05 0.00 0.00 178.16 178.09 3i6e n LEU 77 N -3.46 0.52 -0.10 3.88 4.77 0.14 -4.38 117.00 118.37 3i6e n LEU 77 Ca -0.19 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 3i6e n LEU 77 Cb 1.05 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 42.28 3i6e n LEU 77 CO 0.50 0.17 0.72 -0.09 -1.33 0.00 0.00 177.39 177.37 3i6e h ARG 78 N 0.00 -0.14 -0.09 3.23 2.43 -1.46 -0.19 114.38 118.17 3i6e h ARG 78 Ca -0.20 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3i6e h ARG 78 Cb 1.58 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.16 3i6e h ARG 78 CO 0.03 -0.09 0.09 -1.35 -1.51 0.00 0.00 179.97 177.14 3i6e h PRO 79 N -0.14 0.00 0.00 0.20 0.11 -1.77 -0.91 132.00 129.49 3i6e h PRO 79 Ca 0.18 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 3i6e h PRO 79 Cb 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3i6e h PRO 79 CO -0.44 0.00 -0.73 1.25 -0.21 0.00 0.00 178.00 177.87 3i6e h LEU 80 N 0.00 0.00 0.01 2.35 5.85 -1.29 -3.39 115.31 118.83 3i6e h LEU 80 Ca 0.04 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 58.34 3i6e h LEU 80 Cb 0.22 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 3i6e h LEU 80 CO -0.00 0.35 -2.40 0.52 -0.34 0.00 0.00 178.44 176.57 3i6e n VAL 81 N -3.03 1.53 -1.68 1.05 0.31 -0.59 -4.77 118.33 111.15 3i6e n VAL 81 Ca -0.01 -0.43 -0.46 0.00 -0.01 0.00 0.00 64.34 63.44 3i6e n VAL 81 Cb 0.69 -1.74 -0.04 0.00 -0.91 0.00 0.00 33.84 31.84 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 -3.92 0.51 0.00 2.52 2.08 -0.44 -1.56 119.36 118.55 3i6e n ILE 82 Ca -0.49 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 62.73 3i6e n ILE 82 Cb 0.91 -1.98 0.00 0.00 -0.75 0.00 0.00 39.64 37.82 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 4.28 1.26 3.85 7.39 0.00 0.78 -4.95 105.19 117.80 3i6e n GLY 83 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.84 3.79 0.24 1.61 1.81 -0.60 -4.62 118.95 120.33 3i6e s ARG 84 Ca 0.00 0.92 -0.26 0.00 -1.72 0.00 0.00 55.73 54.67 3i6e s ARG 84 Cb 0.00 -2.11 -0.09 0.00 -0.45 0.00 0.00 34.95 32.30 3i6e s ARG 84 CO 0.00 -0.41 0.87 1.03 -0.68 0.00 0.00 175.30 176.11 3i6e s ARG 85 N -4.38 4.63 0.46 3.54 0.52 -1.26 -0.33 118.95 122.12 3i6e s ARG 85 Ca 0.58 1.27 0.12 0.00 -0.52 0.00 0.00 55.73 57.18 3i6e s ARG 85 Cb -0.11 -3.10 1.04 0.00 0.52 0.00 0.00 34.95 33.31 3i6e s ARG 85 CO 0.38 0.45 2.08 0.28 0.02 0.00 0.00 175.30 178.52 3i6e h VAL 86 N 3.00 1.03 0.00 3.52 2.07 -1.01 -1.52 116.25 123.35 3i6e h VAL 86 Ca -0.46 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3i6e h VAL 86 Cb 1.20 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3i6e h VAL 86 CO 0.66 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.92 3i6e n GLY 87 N -1.51 -1.25 1.29 2.17 0.00 -0.16 -3.33 105.19 102.39 3i6e n GLY 87 Ca 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.47 3.43 -0.28 1.61 8.00 -0.57 -4.59 116.55 122.68 3i6e n ASP 88 Ca 0.06 -2.53 0.08 0.00 0.71 0.00 0.00 54.79 53.11 3i6e n ASP 88 Cb 0.25 -0.61 0.20 0.00 -0.02 0.00 0.00 41.12 40.94 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 1.79 0.11 -0.29 -1.24 2.43 -1.74 -0.85 114.38 114.60 3i6e h ARG 89 Ca 0.05 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3i6e h ARG 89 Cb 1.38 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.86 3i6e h ARG 89 CO 0.31 0.07 0.03 0.28 -1.51 0.00 0.00 179.97 179.14 3i6e h VAL 90 N 0.11 0.83 -0.21 0.20 2.07 -1.92 -0.09 116.25 117.23 3i6e h VAL 90 Ca 0.46 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.92 3i6e h VAL 90 Cb 0.85 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3i6e h VAL 90 CO -0.71 0.02 0.07 0.00 0.02 0.00 0.00 177.57 176.98 3i6e h ALA 91 N 1.23 0.28 -0.34 1.67 0.00 -1.62 -1.33 119.26 119.15 3i6e h ALA 91 Ca 0.14 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3i6e h ALA 91 Cb 0.16 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3i6e h ALA 91 CO -0.20 -0.11 -0.10 0.82 0.00 0.00 0.00 179.25 179.66 3i6e h ILE 92 N 0.18 0.63 -0.06 0.00 2.04 -0.82 -0.52 117.51 118.95 3i6e h ILE 92 Ca 0.07 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 3i6e h ILE 92 Cb 0.22 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3i6e h ILE 92 CO -0.00 0.00 -0.48 0.24 0.00 0.00 0.00 178.15 177.90 3i6e h MET 93 N -0.03 0.15 -0.34 2.37 2.86 -0.93 0.32 114.93 119.33 3i6e h MET 93 Ca 0.16 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3i6e h MET 93 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3i6e h MET 93 CO -0.36 0.61 0.08 0.22 1.06 0.00 0.00 176.91 178.52 3i6e h ASP 94 N 0.12 0.52 -0.09 1.22 3.58 -0.70 -1.92 116.42 119.15 3i6e h ASP 94 Ca 0.00 -0.23 -0.14 0.00 0.42 0.00 0.00 57.03 57.08 3i6e h ASP 94 Cb 0.90 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 3i6e h ASP 94 CO 0.07 0.62 -0.41 -0.33 -2.88 0.00 0.00 179.24 176.31 3i6e h GLU 95 N 0.40 0.62 -0.60 0.28 5.08 -0.84 -3.17 114.58 116.35 3i6e h GLU 95 Ca 0.11 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3i6e h GLU 95 Cb 0.30 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3i6e h GLU 95 CO 0.00 0.92 0.35 0.00 -1.00 0.00 0.00 179.01 179.28 3i6e h ALA 96 N 1.04 0.76 -0.87 3.43 0.00 -0.14 -1.16 119.26 122.32 3i6e h ALA 96 Ca 0.04 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.98 3i6e h ALA 96 Cb 0.92 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3i6e h ALA 96 CO 0.08 0.26 0.56 0.00 0.00 0.00 0.00 179.25 180.15 3i6e h ALA 97 N 1.17 1.71 0.00 0.00 0.00 -1.33 -2.44 119.26 118.38 3i6e h ALA 97 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i6e h ALA 97 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3i6e h ALA 97 CO -0.04 0.10 -0.76 0.00 0.00 0.00 0.00 179.25 178.55 3i6e h ARG 98 N 0.80 0.00 0.00 0.00 3.08 -1.50 -3.38 114.38 113.39 3i6e h ARG 98 Ca 0.41 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.42 3i6e h ARG 98 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3i6e h ARG 98 CO -0.18 0.00 -0.20 0.00 -1.07 0.00 0.00 179.97 178.52 3i6e h ALA 99 N 2.10 0.99 -2.66 0.04 0.00 -0.71 -3.44 119.26 115.59 3i6e h ALA 99 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3i6e h ALA 99 Cb 0.95 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.45 3i6e h ALA 99 CO 0.00 0.25 -0.26 0.54 0.00 0.00 0.00 179.25 179.78 3i6e s VAL 100 N -3.59 -0.01 0.41 0.00 0.11 -1.24 -4.95 120.40 111.13 3i6e s VAL 100 Ca 0.01 0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.86 3i6e s VAL 100 Cb 0.10 -0.61 -0.08 0.00 -1.53 0.00 0.00 36.38 34.25 3i6e s VAL 100 CO 0.63 0.02 1.18 0.00 -3.33 0.00 0.00 175.10 173.60 3i6e s ALA 101 N 0.90 3.14 0.00 1.54 0.00 -1.26 -4.82 121.76 121.26 3i6e s ALA 101 Ca -0.05 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3i6e s ALA 101 Cb -0.06 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3i6e s ALA 101 CO -0.07 -0.57 0.00 0.72 0.00 0.00 0.00 175.76 175.83 3i6e n HIS 102 N 0.01 0.00 -3.85 0.00 8.25 -1.26 -4.88 115.22 113.48 3i6e n HIS 102 Ca 0.05 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.23 3i6e n HIS 102 Cb 0.46 0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.66 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 -2.04 0.25 -0.28 0.00 1.35 -1.87 -0.91 112.91 109.42 3i6e h THR 104 Ca -0.59 -0.23 -0.11 0.00 -0.55 0.00 0.00 66.41 64.93 3i6e h THR 104 Cb 1.37 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3i6e h THR 104 CO 0.64 0.03 -0.25 -0.33 -0.25 0.00 0.00 175.52 175.36 3i6e h GLU 105 N 0.00 0.66 -0.38 4.72 3.07 -1.83 -0.33 114.58 120.49 3i6e h GLU 105 Ca -0.00 -0.34 -0.09 0.00 -0.50 0.00 0.00 59.36 58.43 3i6e h GLU 105 Cb 0.17 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3i6e h GLU 105 CO 0.00 0.94 -0.13 0.00 -1.40 0.00 0.00 179.01 178.43 3i6e h ALA 106 N 0.70 1.07 -0.24 3.43 0.00 -1.51 -0.72 119.26 121.99 3i6e h ALA 106 Ca 0.05 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 3i6e h ALA 106 Cb 0.81 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3i6e h ALA 106 CO 0.06 0.57 -0.43 0.87 0.00 0.00 0.00 179.25 180.33 3i6e h LYS 107 N 0.61 0.59 -0.37 0.00 1.57 -1.17 -1.47 116.57 116.33 3i6e h LYS 107 Ca 0.10 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 3i6e h LYS 107 Cb 0.58 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3i6e h LYS 107 CO 0.04 0.91 -0.27 0.00 -0.57 0.00 0.00 179.45 179.56 3i6e h ALA 108 N 1.05 0.83 -0.50 3.86 0.00 -0.70 -1.43 119.26 122.37 3i6e h ALA 108 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3i6e h ALA 108 Cb 0.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3i6e h ALA 108 CO 0.08 0.64 0.24 0.00 0.00 0.00 0.00 179.25 180.22 3i6e h ALA 109 N 1.04 0.64 -0.35 0.00 0.00 -0.87 0.24 119.26 119.96 3i6e h ALA 109 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3i6e h ALA 109 Cb 0.79 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3i6e h ALA 109 CO 0.06 0.20 0.10 1.25 0.00 0.00 0.00 179.25 180.86 3i6e h LEU 110 N 0.66 0.52 -0.75 0.00 5.85 -1.07 -0.25 115.31 120.27 3i6e h LEU 110 Ca 0.17 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3i6e h LEU 110 Cb 0.11 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3i6e h LEU 110 CO -0.02 0.61 0.42 -0.78 -0.34 0.00 0.00 178.44 178.33 3i6e h ASP 111 N 0.42 0.93 -0.47 1.25 3.58 -1.08 0.40 116.42 121.46 3i6e h ASP 111 Ca 0.11 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 3i6e h ASP 111 Cb 0.28 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 3i6e h ASP 111 CO -0.00 0.75 0.26 0.28 -2.88 0.00 0.00 179.24 177.65 3i6e h SER 112 N 1.03 0.58 -0.68 2.28 0.02 -0.66 -1.65 113.55 114.47 3i6e h SER 112 Ca 0.27 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3i6e h SER 112 Cb 0.02 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3i6e h SER 112 CO -0.04 0.49 0.20 0.00 -1.14 0.00 0.00 176.83 176.33 3i6e h ALA 113 N 1.11 0.90 -0.61 3.77 0.00 -0.45 -0.83 119.26 123.14 3i6e h ALA 113 Ca 0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3i6e h ALA 113 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3i6e h ALA 113 CO -0.03 0.59 0.17 -0.07 0.00 0.00 0.00 179.25 179.91 3i6e h LEU 114 N 1.01 0.91 -0.30 0.00 3.38 -0.68 -0.65 115.31 118.99 3i6e h LEU 114 Ca 0.22 -0.22 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3i6e h LEU 114 Cb 0.33 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i6e h LEU 114 CO -0.00 0.89 -0.57 -0.07 0.09 0.00 0.00 178.44 178.78 3i6e h LEU 115 N 0.89 0.96 -0.25 1.67 3.38 -1.19 -0.38 115.31 120.39 3i6e h LEU 115 Ca 0.20 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3i6e h LEU 115 Cb 0.32 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3i6e h LEU 115 CO -0.00 1.33 0.15 -0.78 0.09 0.00 0.00 178.44 179.22 3i6e h ASP 116 N 0.65 0.31 -0.21 -0.43 3.58 -1.04 0.55 116.42 119.83 3i6e h ASP 116 Ca 0.01 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 3i6e h ASP 116 Cb 1.18 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 3i6e h ASP 116 CO 0.13 0.28 0.13 0.25 -2.88 0.00 0.00 179.24 177.14 3i6e h LEU 117 N 0.31 0.25 -0.95 2.28 5.85 -1.04 -0.74 115.31 121.26 3i6e h LEU 117 Ca 0.09 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3i6e h LEU 117 Cb 0.03 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3i6e h LEU 117 CO -0.02 0.22 0.26 0.00 -0.34 0.00 0.00 178.44 178.56 3i6e h ALA 118 N 1.04 1.16 -0.28 1.25 0.00 -0.85 -1.49 119.26 120.09 3i6e h ALA 118 Ca 0.07 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3i6e h ALA 118 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3i6e h ALA 118 CO -0.01 0.60 -0.31 0.78 0.00 0.00 0.00 179.25 180.31 3i6e h GLY 119 N 1.07 0.64 0.75 0.00 0.00 -0.57 -1.10 103.07 103.86 3i6e h GLY 119 Ca 0.23 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3i6e h GLY 119 CO -0.02 0.52 0.01 3.21 0.00 0.00 0.00 176.54 180.26 3i6e h ARG 120 N 0.50 0.13 -0.18 4.80 2.47 -0.78 0.40 114.38 121.72 3i6e h ARG 120 Ca 0.06 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.77 3i6e h ARG 120 Cb 0.78 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.07 3i6e h ARG 120 CO 0.06 0.38 0.03 0.82 0.56 0.00 0.00 179.97 181.82 3i6e h ILE 121 N -0.14 0.91 -0.02 2.04 1.08 -1.16 -2.75 117.51 117.47 3i6e h ILE 121 Ca 0.02 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3i6e h ILE 121 Cb 0.32 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 3i6e h ILE 121 CO 0.00 0.02 0.00 -1.54 -0.69 0.00 0.00 178.15 175.94 3i6e n SER 122 N -5.09 1.15 -3.34 1.72 3.41 -0.43 -4.95 113.62 106.08 3i6e n SER 122 Ca -0.03 -1.40 -0.18 0.00 -0.26 0.00 0.00 58.87 57.00 3i6e n SER 122 Cb 0.09 -0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.10 -5.85 -3.82 4.04 5.15 0.48 -5.03 115.26 110.13 3i6e n ASN 123 Ca 0.20 -0.75 -0.12 0.00 -0.60 0.00 0.00 54.58 53.31 3i6e n ASN 123 Cb 0.29 -4.90 -0.11 0.00 -0.53 0.00 0.00 39.78 34.53 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 -5.68 1.25 0.56 1.20 1.43 0.11 -4.88 118.68 112.66 3i6e s LEU 124 Ca 0.40 0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.51 3i6e s LEU 124 Cb -0.07 0.79 -0.05 0.00 0.03 0.00 0.00 46.19 46.89 3i6e s LEU 124 CO 0.76 -0.22 1.10 -2.16 0.23 0.00 0.00 176.35 176.07 3i6e s PRO 125 N -0.54 3.34 0.33 1.29 0.04 -1.19 -0.63 135.00 137.64 3i6e s PRO 125 Ca -0.06 1.50 0.08 0.00 0.04 0.00 0.00 61.00 62.55 3i6e s PRO 125 Cb -0.04 -2.01 0.78 0.00 0.04 0.00 0.00 34.50 33.27 3i6e s PRO 125 CO 0.01 -0.84 1.82 0.28 0.04 0.00 0.00 177.00 178.31 3i6e h VAL 126 N 1.00 0.76 0.00 -0.36 2.07 -1.52 0.19 116.25 118.40 3i6e h VAL 126 Ca -0.49 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 3i6e h VAL 126 Cb 1.25 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3i6e h VAL 126 CO 0.57 0.13 -0.02 4.11 0.02 0.00 0.00 177.57 182.38 3i6e h TRP 127 N 0.73 0.00 0.00 1.57 5.08 -1.87 0.11 115.95 121.58 3i6e h TRP 127 Ca 0.52 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.49 3i6e h TRP 127 Cb 0.85 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.01 3i6e h TRP 127 CO -0.00 0.02 0.00 0.00 -1.28 0.00 0.00 178.44 177.17 3i6e n ALA 128 N -2.20 1.92 0.99 0.11 0.00 0.05 -1.23 120.51 120.16 3i6e n ALA 128 Ca -0.03 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3i6e n ALA 128 Cb 0.11 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.20 3i6e n ALA 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i6e n LEU 129 N -2.29 2.66 -0.73 0.00 4.77 0.38 -4.19 117.00 117.60 3i6e n LEU 129 Ca 0.03 -0.92 0.08 0.00 -0.03 0.00 0.00 56.01 55.17 3i6e n LEU 129 Cb 0.32 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.63 3i6e n LEU 129 CO 0.25 0.46 0.67 0.18 -1.33 0.00 0.00 177.39 177.62 3i6e n LEU 130 N 0.89 3.49 0.00 2.23 4.77 -0.86 -4.94 117.00 122.58 3i6e n LEU 130 Ca 0.12 -2.80 0.00 0.00 -0.03 0.00 0.00 56.01 53.30 3i6e n LEU 130 Cb 0.55 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3i6e n LEU 130 CO 0.19 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3i6e n GLY 131 N -0.41 0.72 0.00 -0.72 0.00 -1.21 -4.88 105.19 98.69 3i6e n GLY 131 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.05 -1.17 3.38 -0.02 0.00 -0.37 -5.02 105.19 100.95 3i6e n GLY 132 Ca 0.00 -2.19 -0.27 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.31 1.40 0.00 1.61 -2.85 -1.26 -3.96 119.74 114.37 3i6e s LYS 133 Ca 0.00 -1.39 0.00 0.00 -1.00 0.00 0.00 55.97 53.58 3i6e s LYS 133 Cb 0.00 -1.78 0.00 0.00 -2.06 0.00 0.00 37.83 33.99 3i6e s LYS 133 CO 0.00 0.40 0.29 0.00 0.10 0.00 0.00 175.35 176.15 3i6e s ARG 135 N -0.33 0.79 0.04 0.00 1.70 -1.25 -5.05 118.95 114.85 3i6e s ARG 135 Ca 0.00 0.05 0.21 0.00 -0.47 0.00 0.00 55.73 55.52 3i6e s ARG 135 Cb 0.00 0.36 -0.21 0.00 -0.57 0.00 0.00 34.95 34.53 3i6e s ARG 135 CO 0.00 -0.22 0.65 -0.25 -1.08 0.00 0.00 175.30 174.41 3i6e n ASP 136 N 1.32 0.34 -4.10 -2.89 8.00 -1.26 -4.86 116.55 113.10 3i6e n ASP 136 Ca -0.20 0.14 -0.09 0.00 0.71 0.00 0.00 54.79 55.35 3i6e n ASP 136 Cb 0.56 1.27 -0.09 0.00 -0.02 0.00 0.00 41.12 42.84 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 -3.34 0.11 -0.06 -3.53 -4.23 -1.26 -0.89 115.64 102.45 3i6e s THR 137 Ca -0.05 -1.79 -0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3i6e s THR 137 Cb 0.11 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 72.06 3i6e s THR 137 CO 0.86 -0.51 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.78 3i6e s ILE 138 N -4.01 0.46 0.22 2.99 1.01 -0.21 -4.92 121.20 116.74 3i6e s ILE 138 Ca 0.20 -0.00 -0.32 0.00 0.00 0.00 0.00 60.65 60.53 3i6e s ILE 138 Cb 0.07 -0.55 -0.13 0.00 0.01 0.00 0.00 42.46 41.86 3i6e s ILE 138 CO -0.00 0.24 1.48 -2.65 0.00 0.00 0.00 174.94 174.01 3i6e n PRO 139 N 4.59 2.13 -3.96 2.79 -0.02 -1.26 -0.68 135.00 138.59 3i6e n PRO 139 Ca -0.16 0.76 -0.36 0.00 -2.02 0.00 0.00 63.50 61.72 3i6e n PRO 139 Cb 0.50 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 3i6e n PRO 139 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i6e s LEU 140 N 0.30 4.25 -0.04 2.45 2.96 -0.74 -1.39 118.68 126.47 3i6e s LEU 140 Ca 0.71 0.39 0.07 0.00 -0.22 0.00 0.00 54.13 55.08 3i6e s LEU 140 Cb -0.64 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 3i6e s LEU 140 CO 0.46 0.38 -0.24 -0.55 -1.32 0.00 0.00 176.35 175.07 3i6e s SER 141 N -1.18 3.16 -0.08 3.68 0.15 0.17 -3.60 113.70 116.00 3i6e s SER 141 Ca 0.17 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.39 3i6e s SER 141 Cb -0.12 -0.56 -0.02 0.00 -1.71 0.00 0.00 66.02 63.61 3i6e s SER 141 CO 0.06 0.30 -0.15 0.00 1.20 0.00 0.00 173.24 174.65 3i6e s SER 143 N -0.22 7.16 -0.37 0.00 0.01 -1.26 -1.71 113.70 117.31 3i6e s SER 143 Ca 0.00 1.66 0.00 0.00 1.31 0.00 0.00 55.95 58.92 3i6e s SER 143 Cb -0.13 -2.51 0.10 0.00 0.21 0.00 0.00 66.02 63.68 3i6e s SER 143 CO 0.03 -0.10 0.12 -0.63 0.41 0.00 0.00 173.24 173.07 3i6e s ILE 144 N -1.71 2.84 -0.00 1.44 -1.09 -0.00 -4.88 121.20 117.80 3i6e s ILE 144 Ca 0.51 -2.11 0.04 0.00 -2.23 0.00 0.00 60.65 56.86 3i6e s ILE 144 Cb -0.16 -2.97 0.06 0.00 -1.58 0.00 0.00 42.46 37.82 3i6e s ILE 144 CO 0.21 -0.59 1.03 0.00 -1.23 0.00 0.00 174.94 174.35 3i6e n ALA 145 N 4.46 2.05 -2.61 9.38 0.00 -1.26 -0.97 120.51 131.56 3i6e n ALA 145 Ca -0.01 -1.20 -0.41 0.00 0.00 0.00 0.00 53.44 51.81 3i6e n ALA 145 Cb 0.42 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.15 7.35 0.59 0.00 3.84 -1.26 -4.91 114.94 119.40 3i6e s ASN 146 Ca 0.05 1.63 0.35 0.00 0.21 0.00 0.00 52.86 55.10 3i6e s ASN 146 Cb 0.06 -2.55 1.87 0.00 -0.55 0.00 0.00 41.25 40.07 3i6e s ASN 146 CO -0.03 -0.19 2.20 1.55 -2.79 0.00 0.00 177.10 177.85 3i6e h PRO 147 N 6.50 0.00 -4.03 0.43 0.13 -2.01 -3.26 132.00 129.76 3i6e h PRO 147 Ca -0.42 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.95 3i6e h PRO 147 Cb 1.22 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.10 3i6e h PRO 147 CO 0.74 0.04 -0.02 0.34 -0.23 0.00 0.00 178.00 178.87 3i6e s ASP 148 N -5.73 6.48 0.53 1.44 2.15 -1.26 -4.93 116.67 115.35 3i6e s ASP 148 Ca -0.03 -2.21 0.19 0.00 0.43 0.00 0.00 52.55 50.93 3i6e s ASP 148 Cb 0.13 -2.22 1.35 0.00 -0.30 0.00 0.00 42.92 41.88 3i6e s ASP 148 CO 0.51 -0.74 2.15 0.15 -0.17 0.00 0.00 175.17 177.07 3i6e h PHE 149 N 8.38 0.00 -0.47 -5.34 3.57 -1.99 -2.06 116.94 119.03 3i6e h PHE 149 Ca -0.09 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 3i6e h PHE 149 Cb 1.07 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 3i6e h PHE 149 CO 0.89 0.02 0.26 -0.44 -2.23 0.00 0.00 178.31 176.82 3i6e h ASP 150 N 0.00 0.56 -0.61 0.41 3.32 -1.91 -0.10 116.42 118.09 3i6e h ASP 150 Ca -0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3i6e h ASP 150 Cb 0.04 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3i6e h ASP 150 CO 0.00 0.44 0.21 0.00 -1.72 0.00 0.00 179.24 178.18 3i6e h ALA 151 N 1.65 0.80 -0.02 3.45 0.00 -1.76 -2.41 119.26 120.96 3i6e h ALA 151 Ca 0.17 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3i6e h ALA 151 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3i6e h ALA 151 CO -0.03 0.45 -0.45 -0.44 0.00 0.00 0.00 179.25 178.78 3i6e h ASP 152 N 0.86 0.05 -0.66 0.00 3.32 -1.27 -1.33 116.42 117.40 3i6e h ASP 152 Ca 0.20 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3i6e h ASP 152 Cb 0.26 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3i6e h ASP 152 CO -0.01 0.50 0.24 0.40 -1.72 0.00 0.00 179.24 178.65 3i6e h ILE 153 N 0.04 1.24 -0.63 0.35 2.04 -0.68 0.85 117.51 120.73 3i6e h ILE 153 Ca 0.00 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 3i6e h ILE 153 Cb 0.81 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3i6e h ILE 153 CO 0.06 0.31 0.13 0.00 0.00 0.00 0.00 178.15 178.65 3i6e h ALA 154 N 1.10 1.05 -0.26 1.87 0.00 -1.11 -0.79 119.26 121.13 3i6e h ALA 154 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3i6e h ALA 154 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i6e h ALA 154 CO -0.01 0.62 0.02 1.25 0.00 0.00 0.00 179.25 181.13 3i6e h LEU 155 N 0.95 0.42 -1.92 0.00 5.85 -0.31 -2.56 115.31 117.74 3i6e h LEU 155 Ca 0.20 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3i6e h LEU 155 Cb 0.36 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 3i6e h LEU 155 CO 0.00 0.60 -0.09 0.24 -0.34 0.00 0.00 178.44 178.86 3i6e h MET 156 N 0.23 0.00 -0.46 1.25 2.86 0.11 0.10 114.93 119.02 3i6e h MET 156 Ca 0.08 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3i6e h MET 156 Cb 0.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 3i6e h MET 156 CO 0.01 0.09 0.01 0.93 1.06 0.00 0.00 176.91 179.01 3i6e h GLU 157 N 0.00 0.81 -0.40 1.72 4.39 -0.80 -0.98 114.58 119.31 3i6e h GLU 157 Ca -0.00 -0.25 -0.15 0.00 0.34 0.00 0.00 59.36 59.30 3i6e h GLU 157 Cb 0.16 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3i6e h GLU 157 CO 0.01 0.85 -0.35 -0.09 -1.16 0.00 0.00 179.01 178.28 3i6e h ARG 158 N 0.66 0.94 -0.11 2.33 2.43 -0.88 -2.33 114.38 117.41 3i6e h ARG 158 Ca 0.13 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3i6e h ARG 158 Cb 0.48 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3i6e h ARG 158 CO 0.02 1.13 0.07 -0.07 -1.51 0.00 0.00 179.97 179.61 3i6e h LEU 159 N 0.76 0.13 -0.58 3.80 3.38 -0.68 0.31 115.31 122.43 3i6e h LEU 159 Ca 0.07 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3i6e h LEU 159 Cb 0.94 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 3i6e h LEU 159 CO 0.09 0.11 0.35 -0.09 0.09 0.00 0.00 178.44 178.99 3i6e h ARG 160 N 0.13 0.68 -0.64 1.13 2.43 -1.16 -1.57 114.38 115.38 3i6e h ARG 160 Ca 0.04 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3i6e h ARG 160 Cb -0.00 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 3i6e h ARG 160 CO -0.01 0.45 0.38 0.00 -1.51 0.00 0.00 179.97 179.28 3i6e h ALA 161 N 1.25 1.46 0.00 2.80 0.00 -1.02 -2.31 119.26 121.45 3i6e h ALA 161 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i6e h ALA 161 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3i6e h ALA 161 CO -0.09 0.46 0.00 -0.25 0.00 0.00 0.00 179.25 179.37 3i6e n ASP 162 N -4.40 0.00 0.00 0.00 8.00 0.06 -4.90 116.55 115.31 3i6e n ASP 162 Ca 0.06 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3i6e n ASP 162 Cb 0.07 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 3i6e n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6e n GLY 163 N 1.14 0.77 3.68 0.44 0.00 -0.87 -3.07 105.19 107.29 3i6e n GLY 163 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.21 3.87 -1.75 1.61 1.01 -0.80 -3.58 120.40 118.55 3i6e s VAL 164 Ca 0.00 1.20 0.15 0.00 0.00 0.00 0.00 61.98 63.33 3i6e s VAL 164 Cb 0.00 -3.77 0.18 0.00 0.00 0.00 0.00 36.38 32.79 3i6e s VAL 164 CO 0.00 -0.03 1.06 0.61 0.00 0.00 0.00 175.10 176.74 3i6e n GLY 165 N 3.64 0.64 3.09 4.51 0.00 -1.26 -4.46 105.19 111.35 3i6e n GLY 165 Ca 0.13 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.20 1.99 0.02 0.99 1.43 -1.24 -1.40 118.68 119.28 3i6e s LEU 166 Ca 0.21 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3i6e s LEU 166 Cb 0.13 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 3i6e s LEU 166 CO 0.19 0.15 -0.04 0.27 0.23 0.00 0.00 176.35 177.16 3i6e s ILE 167 N -0.24 0.18 -0.20 -0.59 -4.36 -0.93 -1.89 121.20 113.17 3i6e s ILE 167 Ca 0.04 -0.97 0.01 0.00 -0.26 0.00 0.00 60.65 59.47 3i6e s ILE 167 Cb -0.06 -0.36 0.04 0.00 1.25 0.00 0.00 42.46 43.33 3i6e s ILE 167 CO -0.00 -0.50 -0.11 -0.75 0.24 0.00 0.00 174.94 173.81 3i6e s LYS 168 N -1.57 2.16 -0.18 0.37 2.20 -0.69 -1.08 119.74 120.95 3i6e s LYS 168 Ca -0.14 -0.89 -0.29 0.00 -0.36 0.00 0.00 55.97 54.28 3i6e s LYS 168 Cb -0.09 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 3i6e s LYS 168 CO -0.01 -0.42 1.03 -1.17 -0.36 0.00 0.00 175.35 174.43 3i6e s LEU 169 N 1.35 4.16 -0.28 5.43 2.96 0.14 -0.82 118.68 131.62 3i6e s LEU 169 Ca -0.01 1.45 -0.29 0.00 -0.22 0.00 0.00 54.13 55.05 3i6e s LEU 169 Cb -0.16 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.99 3i6e s LEU 169 CO -0.08 -0.59 1.07 -0.75 -1.32 0.00 0.00 176.35 174.68 3i6e s LYS 170 N 2.74 4.14 0.38 1.98 2.20 -0.14 -1.39 119.74 129.65 3i6e s LYS 170 Ca 0.46 1.21 0.08 0.00 -0.36 0.00 0.00 55.97 57.35 3i6e s LYS 170 Cb -0.16 -3.71 -0.05 0.00 -1.51 0.00 0.00 37.83 32.40 3i6e s LYS 170 CO 0.11 -0.80 0.12 0.95 -0.36 0.00 0.00 175.35 175.36 3i6e s THR 171 N 3.50 2.50 0.00 3.43 -4.23 -0.24 -4.79 115.64 115.81 3i6e s THR 171 Ca 0.45 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3i6e s THR 171 Cb -0.14 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.77 3i6e s THR 171 CO 0.12 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3i6e n GLY 172 N -1.13 2.40 0.07 3.99 0.00 -1.26 -4.27 105.19 104.99 3i6e n GLY 172 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 0.00 -3.58 1.61 1.16 -1.26 -4.78 117.46 108.60 3i6e n PHE 173 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3i6e n PHE 173 Cb 0.00 -0.23 0.00 0.00 -1.61 0.00 0.00 39.48 37.64 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 -1.09 0.58 -1.37 3.97 1.74 -1.26 -5.15 116.66 114.08 3i6e n ARG 174 Ca 0.14 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.92 3i6e n ARG 174 Cb 0.27 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.84 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 -0.17 3.59 0.25 0.55 1.47 -1.26 -4.94 116.67 116.16 3i6e s ASP 175 Ca 0.00 1.26 -0.05 0.00 1.18 0.00 0.00 52.55 54.94 3i6e s ASP 175 Cb 0.00 -1.93 0.30 0.00 -0.34 0.00 0.00 42.92 40.95 3i6e s ASP 175 CO 0.00 -2.54 1.92 -0.74 0.68 0.00 0.00 175.17 174.49 3i6e h HIS 176 N -1.48 1.25 -1.00 2.11 -0.00 -2.01 -2.57 115.15 111.45 3i6e h HIS 176 Ca -0.50 0.03 0.13 0.00 -0.00 0.00 0.00 60.37 60.03 3i6e h HIS 176 Cb 1.30 -0.42 -0.09 0.00 -0.00 0.00 0.00 27.41 28.20 3i6e h HIS 176 CO 0.38 0.75 0.62 0.00 -0.00 0.00 0.00 177.93 179.68 3i6e h ALA 177 N 1.39 1.54 -0.54 5.26 0.00 -1.99 -0.47 119.26 124.44 3i6e h ALA 177 Ca 0.39 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 3i6e h ALA 177 Cb -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3i6e h ALA 177 CO -0.10 0.17 0.20 0.35 0.00 0.00 0.00 179.25 179.87 3i6e h PHE 178 N 0.94 0.79 -0.21 0.00 3.57 -1.82 0.18 116.94 120.37 3i6e h PHE 178 Ca 0.51 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.87 3i6e h PHE 178 Cb 0.57 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 3i6e h PHE 178 CO -0.01 0.62 -0.26 -0.44 -2.23 0.00 0.00 178.31 175.99 3i6e h ASP 179 N 0.77 0.60 -0.45 0.41 3.32 -1.14 -2.76 116.42 117.17 3i6e h ASP 179 Ca 0.18 -0.50 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 3i6e h ASP 179 Cb 0.17 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3i6e h ASP 179 CO -0.02 0.98 0.07 0.40 -1.72 0.00 0.00 179.24 178.96 3i6e h ILE 180 N 0.24 1.25 -0.27 0.35 1.08 -0.99 -1.92 117.51 117.25 3i6e h ILE 180 Ca 0.03 -0.90 0.06 0.00 -0.39 0.00 0.00 64.86 63.65 3i6e h ILE 180 Cb 0.83 0.96 -0.06 0.00 -3.07 0.00 0.00 36.82 35.48 3i6e h ILE 180 CO 0.06 0.32 -0.10 -0.03 -0.69 0.00 0.00 178.15 177.71 3i6e h MET 181 N 0.61 -0.05 -0.47 2.37 4.05 -0.67 -0.34 114.93 120.44 3i6e h MET 181 Ca 0.14 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 3i6e h MET 181 Cb 0.38 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 3i6e h MET 181 CO 0.01 -0.03 0.08 0.00 0.23 0.00 0.00 176.91 177.20 3i6e h ARG 182 N -0.05 0.77 -0.89 0.39 3.08 -1.40 -2.02 114.38 114.26 3i6e h ARG 182 Ca 0.14 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3i6e h ARG 182 Cb 0.26 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 3i6e h ARG 182 CO -0.31 0.78 0.58 -0.07 -1.07 0.00 0.00 179.97 179.88 3i6e h LEU 183 N 0.64 1.03 -0.29 3.04 3.38 -0.94 -0.02 115.31 122.15 3i6e h LEU 183 Ca 0.14 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3i6e h LEU 183 Cb 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3i6e h LEU 183 CO 0.01 0.75 0.03 -0.33 0.09 0.00 0.00 178.44 178.99 3i6e h GLU 184 N 1.21 0.49 -0.50 1.13 5.08 -0.82 -2.12 114.58 119.04 3i6e h GLU 184 Ca 0.33 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 3i6e h GLU 184 Cb -0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3i6e h GLU 184 CO -0.07 0.61 -0.03 1.25 -1.00 0.00 0.00 179.01 179.77 3i6e h LEU 185 N 0.30 0.90 -0.44 1.33 6.46 -1.06 -1.84 115.31 120.96 3i6e h LEU 185 Ca 0.09 -0.32 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 3i6e h LEU 185 Cb 0.37 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.03 3i6e h LEU 185 CO 0.01 1.01 0.27 0.40 -0.62 0.00 0.00 178.44 179.50 3i6e h ILE 186 N 0.77 1.07 -0.34 4.05 2.04 -0.94 0.59 117.51 124.76 3i6e h ILE 186 Ca 0.14 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3i6e h ILE 186 Cb 0.57 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3i6e h ILE 186 CO 0.03 0.10 -0.00 0.00 0.00 0.00 0.00 178.15 178.28 3i6e h ALA 187 N 1.18 1.37 0.08 1.87 0.00 -1.27 0.25 119.26 122.74 3i6e h ALA 187 Ca 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i6e h ALA 187 Cb -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3i6e h ALA 187 CO -0.06 0.44 -0.04 -0.09 0.00 0.00 0.00 179.25 179.50 3i6e h ARG 188 N 0.50 -0.11 0.00 0.00 2.43 -0.47 -3.34 114.38 113.38 3i6e h ARG 188 Ca 0.11 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3i6e h ARG 188 Cb 0.33 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3i6e h ARG 188 CO 0.01 0.35 -1.24 -0.25 -1.51 0.00 0.00 179.97 177.33 3i6e n ASP 189 N -4.81 0.58 -2.91 -3.80 8.00 0.20 -4.57 116.55 109.25 3i6e n ASP 189 Ca -0.06 0.13 -0.19 0.00 0.71 0.00 0.00 54.79 55.37 3i6e n ASP 189 Cb 0.25 0.90 -0.01 0.00 -0.02 0.00 0.00 41.12 42.23 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 -2.41 1.77 0.27 1.24 3.72 0.86 -4.91 117.46 118.00 3i6e n PHE 190 Ca -0.01 -3.52 0.08 0.00 -0.05 0.00 0.00 57.45 53.96 3i6e n PHE 190 Cb 0.53 -0.38 0.39 0.00 -0.94 0.00 0.00 39.48 39.07 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 -0.03 0.10 0.18 -1.08 -0.04 -1.17 -2.78 135.00 130.19 3i6e n PRO 191 Ca 0.25 0.47 0.04 0.00 -0.04 0.00 0.00 63.50 64.21 3i6e n PRO 191 Cb 0.63 -1.75 0.34 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 0.00 -6.99 0.54 3.07 -1.90 -3.45 114.58 105.84 3i6e h GLU 192 Ca 0.00 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.40 3i6e h GLU 192 Cb 0.16 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3i6e h GLU 192 CO 0.00 0.41 0.37 -0.06 -1.40 0.00 0.00 179.01 178.32 3i6e s PHE 193 N -3.83 3.35 -0.07 4.33 0.08 -1.12 -4.94 117.98 115.78 3i6e s PHE 193 Ca -0.01 1.66 -0.14 0.00 0.12 0.00 0.00 56.93 58.55 3i6e s PHE 193 Cb 0.13 -2.97 -0.05 0.00 -0.57 0.00 0.00 43.02 39.56 3i6e s PHE 193 CO 0.70 -0.26 0.36 1.03 -0.10 0.00 0.00 175.22 176.95 3i6e s ARG 194 N -2.74 4.00 -0.10 0.44 0.52 -0.50 -4.99 118.95 115.59 3i6e s ARG 194 Ca 0.59 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 56.07 3i6e s ARG 194 Cb -0.16 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 3i6e s ARG 194 CO 0.20 0.52 -0.09 0.08 0.02 0.00 0.00 175.30 176.03 3i6e s VAL 195 N -0.47 3.50 0.32 3.52 1.01 -1.26 -2.19 120.40 124.83 3i6e s VAL 195 Ca 0.21 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.76 3i6e s VAL 195 Cb -0.15 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 3i6e s VAL 195 CO 0.09 0.56 -0.09 -0.13 0.00 0.00 0.00 175.10 175.53 3i6e s ARG 196 N -0.28 1.87 0.00 2.72 3.00 -0.24 -0.13 118.95 125.90 3i6e s ARG 196 Ca 0.03 -1.81 0.03 0.00 0.00 0.00 0.00 55.73 53.98 3i6e s ARG 196 Cb -0.13 -1.81 -0.01 0.00 0.00 0.00 0.00 34.95 33.01 3i6e s ARG 196 CO 0.03 0.21 -0.11 0.08 0.00 0.00 0.00 175.30 175.50 3i6e s VAL 197 N -2.54 0.86 -0.11 3.52 1.01 -0.47 -0.68 120.40 121.98 3i6e s VAL 197 Ca 0.32 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3i6e s VAL 197 Cb -0.01 -0.74 0.05 0.00 0.00 0.00 0.00 36.38 35.68 3i6e s VAL 197 CO 0.17 0.15 0.09 -0.62 0.00 0.00 0.00 175.10 174.89 3i6e s ASP 198 N -0.49 1.62 0.00 3.32 -1.08 -0.49 -0.16 116.67 119.39 3i6e s ASP 198 Ca 0.03 -0.20 0.27 0.00 -0.52 0.00 0.00 52.55 52.12 3i6e s ASP 198 Cb -0.05 -0.11 0.82 0.00 -1.46 0.00 0.00 42.92 42.12 3i6e s ASP 198 CO -0.00 -0.30 1.63 -1.22 0.52 0.00 0.00 175.17 175.81 3i6e n TYR 199 N 5.30 0.00 -4.07 -5.34 4.02 -0.79 -1.08 117.16 115.19 3i6e n TYR 199 Ca -0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.56 3i6e n TYR 199 Cb 0.50 -0.34 -0.04 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.46 -0.12 -0.99 7.72 4.13 -1.22 0.44 115.26 123.77 3i6e n ASN 200 Ca 0.07 -1.11 -0.12 0.00 1.68 0.00 0.00 54.58 55.10 3i6e n ASN 200 Cb 0.33 -2.53 -0.05 0.00 -1.54 0.00 0.00 39.78 35.99 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 -4.48 -1.61 0.10 3.52 6.02 0.36 -4.86 117.38 116.44 3i6e n GLN 201 Ca -0.31 0.83 0.11 0.00 -0.01 0.00 0.00 57.00 57.63 3i6e n GLN 201 Cb 0.69 -5.12 0.45 0.00 1.02 0.00 0.00 30.24 27.28 3i6e n GLN 201 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i6e n GLY 202 N 0.08 -1.33 3.85 1.08 0.00 0.17 -3.94 105.19 105.11 3i6e n GLY 202 Ca -0.12 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 3i6e n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i6e s LEU 203 N -4.18 4.37 0.53 0.99 1.43 -0.32 -4.90 118.68 116.59 3i6e s LEU 203 Ca 0.06 0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 54.01 3i6e s LEU 203 Cb 0.10 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 3i6e s LEU 203 CO 0.42 0.18 0.85 -1.61 0.23 0.00 0.00 176.35 176.42 3i6e s GLU 204 N -1.78 3.40 0.19 1.70 0.41 -1.26 -4.46 118.70 116.89 3i6e s GLU 204 Ca 0.33 0.23 -0.13 0.00 -0.41 0.00 0.00 54.97 54.99 3i6e s GLU 204 Cb -0.15 -2.31 0.21 0.00 -1.78 0.00 0.00 34.13 30.10 3i6e s GLU 204 CO 0.18 -0.38 1.67 0.82 -0.49 0.00 0.00 175.26 177.06 3i6e h ILE 205 N 0.05 0.57 0.00 -1.63 2.04 -1.98 -1.99 117.51 114.56 3i6e h ILE 205 Ca -0.46 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3i6e h ILE 205 Cb 1.22 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3i6e h ILE 205 CO 0.61 0.02 0.00 -0.90 0.00 0.00 0.00 178.15 177.88 3i6e n ASP 206 N -5.26 0.00 0.00 1.72 5.68 -1.26 -3.12 116.55 114.32 3i6e n ASP 206 Ca 0.06 -0.78 0.00 0.00 -0.50 0.00 0.00 54.79 53.57 3i6e n ASP 206 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 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 -0.89 1.95 0.21 0.11 0.28 -0.88 -4.89 120.64 116.54 3i6e n GLU 207 Ca 0.12 -0.08 -0.15 0.00 -0.16 0.00 0.00 57.16 56.89 3i6e n GLU 207 Cb 0.05 -0.41 -0.07 0.00 1.43 0.00 0.00 31.44 32.44 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 -0.63 0.32 -1.84 0.00 -1.32 -2.63 119.26 113.16 3i6e h ALA 208 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3i6e h ALA 208 Cb 0.09 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3i6e h ALA 208 CO 0.00 -0.88 -0.20 0.28 0.00 0.00 0.00 179.25 178.44 3i6e h VAL 209 N -0.63 0.58 -0.94 0.00 2.07 -1.89 -1.64 116.25 113.79 3i6e h VAL 209 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3i6e h VAL 209 Cb 0.57 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3i6e h VAL 209 CO -0.04 0.00 0.56 1.55 0.02 0.00 0.00 177.57 179.66 3i6e h PRO 210 N -0.50 1.28 -0.27 1.57 0.13 -1.91 -1.05 132.00 131.24 3i6e h PRO 210 Ca -0.03 -0.12 -0.12 0.00 -0.87 0.00 0.00 66.00 64.86 3i6e h PRO 210 Cb 0.42 -0.27 -0.00 0.00 0.13 0.00 0.00 31.00 31.28 3i6e h PRO 210 CO 0.03 0.90 -0.31 0.00 -0.23 0.00 0.00 178.00 178.39 3i6e h ARG 211 N 1.30 0.68 -0.51 0.86 3.08 -1.43 -2.49 114.38 115.87 3i6e h ARG 211 Ca 0.34 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3i6e h ARG 211 Cb -0.05 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3i6e h ARG 211 CO -0.06 0.99 0.13 0.28 -1.07 0.00 0.00 179.97 180.24 3i6e h VAL 212 N 0.41 1.24 -0.73 2.04 2.07 -1.19 -1.45 116.25 118.63 3i6e h VAL 212 Ca 0.04 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.73 3i6e h VAL 212 Cb 0.88 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3i6e h VAL 212 CO 0.07 0.31 0.48 -0.07 0.02 0.00 0.00 177.57 178.38 3i6e h LEU 213 N 0.71 0.82 -0.31 2.57 3.38 -1.18 0.69 115.31 121.98 3i6e h LEU 213 Ca 0.16 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3i6e h LEU 213 Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3i6e h LEU 213 CO 0.00 0.59 -0.24 -0.78 0.09 0.00 0.00 178.44 178.09 3i6e h ASP 214 N 0.97 0.76 -0.50 -0.43 3.58 -1.27 -3.06 116.42 116.46 3i6e h ASP 214 Ca 0.27 -0.45 -0.09 0.00 0.42 0.00 0.00 57.03 57.19 3i6e h ASP 214 Cb -0.08 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.73 3i6e h ASP 214 CO -0.07 1.05 -0.00 0.58 -2.88 0.00 0.00 179.24 177.91 3i6e h VAL 215 N 0.48 1.26 -0.03 2.25 2.07 -1.04 -2.52 116.25 118.72 3i6e h VAL 215 Ca 0.06 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.49 3i6e h VAL 215 Cb 0.80 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3i6e h VAL 215 CO 0.06 0.39 0.07 0.00 0.02 0.00 0.00 177.57 178.12 3i6e h ALA 216 N 1.12 1.27 0.00 1.67 0.00 -0.77 -0.56 119.26 121.99 3i6e h ALA 216 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3i6e h ALA 216 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i6e h ALA 216 CO 0.03 -0.09 -0.08 1.96 0.00 0.00 0.00 179.25 181.07 3i6e h GLN 217 N 0.00 0.00 -0.01 0.00 1.08 -1.38 -0.29 115.11 114.51 3i6e h GLN 217 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3i6e h GLN 217 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3i6e h GLN 217 CO -0.00 0.08 0.00 1.19 -0.95 0.00 0.00 178.83 179.15 3i6e n PHE 218 N -3.78 0.01 -3.90 2.96 3.72 -0.22 -4.95 117.46 111.30 3i6e n PHE 218 Ca -0.02 -0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.04 3i6e n PHE 218 Cb 0.18 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.74 -1.57 -1.27 -1.08 6.02 -0.12 -4.96 117.38 113.65 3i6e n GLN 219 Ca 0.22 0.33 -0.30 0.00 -0.01 0.00 0.00 57.00 57.23 3i6e n GLN 219 Cb 0.15 -3.84 0.13 0.00 1.02 0.00 0.00 30.24 27.70 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 -6.58 1.42 0.47 -1.09 0.04 -1.26 -4.90 135.00 123.09 3i6e s PRO 220 Ca 0.31 0.79 0.12 0.00 0.04 0.00 0.00 61.00 62.26 3i6e s PRO 220 Cb -0.13 -1.83 1.09 0.00 0.04 0.00 0.00 34.50 33.67 3i6e s PRO 220 CO 0.91 -2.12 2.11 -0.44 0.04 0.00 0.00 177.00 177.49 3i6e h ASP 221 N -1.46 0.20 -4.52 6.66 3.32 -0.90 -3.44 116.42 116.28 3i6e h ASP 221 Ca -0.49 -0.01 0.16 0.00 0.02 0.00 0.00 57.03 56.72 3i6e h ASP 221 Cb 1.28 -0.05 -0.16 0.00 0.22 0.00 0.00 39.33 40.62 3i6e h ASP 221 CO 0.55 0.15 0.61 0.72 -1.72 0.00 0.00 179.24 179.55 3i6e s PHE 222 N -5.25 -0.27 -0.16 4.55 -0.12 -1.26 -4.27 117.98 111.21 3i6e s PHE 222 Ca -0.06 0.16 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 3i6e s PHE 222 Cb 0.17 0.53 0.02 0.00 -0.63 0.00 0.00 43.02 43.11 3i6e s PHE 222 CO 0.70 -0.43 -0.20 0.42 -0.05 0.00 0.00 175.22 175.66 3i6e s ILE 223 N -2.87 1.97 -0.09 -4.49 1.01 0.10 -1.37 121.20 115.46 3i6e s ILE 223 Ca 0.07 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 3i6e s ILE 223 Cb -0.01 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 3i6e s ILE 223 CO -0.07 0.53 0.31 -0.70 0.00 0.00 0.00 174.94 175.01 3i6e s GLU 224 N 1.11 3.96 -0.08 2.79 2.12 0.77 -0.90 118.70 128.48 3i6e s GLU 224 Ca -0.00 0.18 -0.04 0.00 0.36 0.00 0.00 54.97 55.47 3i6e s GLU 224 Cb -0.14 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.96 3i6e s GLU 224 CO -0.08 0.52 0.09 0.94 -0.54 0.00 0.00 175.26 176.19 3i6e n GLN 225 N 2.59 -0.26 0.02 4.30 -0.06 -0.05 -1.88 117.38 122.03 3i6e n GLN 225 Ca -0.14 0.17 -0.00 0.00 -2.00 0.00 0.00 57.00 55.03 3i6e n GLN 225 Cb 0.53 -0.30 0.30 0.00 -4.06 0.00 0.00 30.24 26.71 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 0.47 0.48 -5.43 3.69 0.11 -1.88 0.11 132.00 129.55 3i6e h PRO 226 Ca -0.09 -0.11 -0.64 0.00 0.11 0.00 0.00 66.00 65.28 3i6e h PRO 226 Cb 0.20 -0.07 -0.13 0.00 0.11 0.00 0.00 31.00 31.12 3i6e h PRO 226 CO 0.04 0.54 -0.56 0.08 -0.21 0.00 0.00 178.00 177.88 3i6e s VAL 227 N -4.89 1.56 0.52 3.15 1.01 -1.26 -1.18 120.40 119.32 3i6e s VAL 227 Ca -0.07 -2.00 -0.21 0.00 0.00 0.00 0.00 61.98 59.70 3i6e s VAL 227 Cb 0.15 -2.63 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 3i6e s VAL 227 CO 0.76 0.00 0.91 0.54 0.00 0.00 0.00 175.10 177.32 3i6e n ARG 228 N -1.07 1.03 -0.28 2.72 5.12 -1.25 -4.28 116.66 118.66 3i6e n ARG 228 Ca -0.10 0.38 0.09 0.00 -1.93 0.00 0.00 57.85 56.29 3i6e n ARG 228 Cb 0.67 -2.04 0.23 0.00 -1.16 0.00 0.00 32.46 30.15 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 0.90 1.06 0.00 7.54 0.00 -1.92 -1.39 119.26 125.45 3i6e h ALA 229 Ca -0.46 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3i6e h ALA 229 Cb 1.36 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3i6e h ALA 229 CO 0.53 -0.42 0.00 -2.39 0.00 0.00 0.00 179.25 176.96 3i6e n HIS 230 N -5.25 0.21 -1.19 0.00 1.44 -1.26 -4.30 115.22 104.87 3i6e n HIS 230 Ca 0.18 0.08 -0.35 0.00 -2.01 0.00 0.00 57.72 55.62 3i6e n HIS 230 Cb 0.57 -0.63 -0.03 0.00 0.12 0.00 0.00 29.99 30.03 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 -1.69 2.23 -0.23 -1.40 8.25 -0.52 -4.65 115.22 117.21 3i6e n HIS 231 Ca 0.04 -2.78 -0.07 0.00 -0.26 0.00 0.00 57.72 54.65 3i6e n HIS 231 Cb 0.21 -2.28 0.04 0.00 1.12 0.00 0.00 29.99 29.07 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 5.47 0.88 -0.31 4.41 -1.00 -1.85 -1.03 116.94 123.51 3i6e h PHE 232 Ca 0.75 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.50 3i6e h PHE 232 Cb 0.29 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 3i6e h PHE 232 CO 1.86 0.65 0.18 0.93 -1.61 0.00 0.00 178.31 180.32 3i6e h GLU 233 N 0.86 0.43 -0.38 1.51 5.08 -1.95 -1.26 114.58 118.87 3i6e h GLU 233 Ca 0.22 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.38 3i6e h GLU 233 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3i6e h GLU 233 CO -0.03 0.35 -0.39 1.25 -1.00 0.00 0.00 179.01 179.19 3i6e h LEU 234 N 0.39 1.00 -1.19 1.33 5.85 -1.90 -2.04 115.31 118.75 3i6e h LEU 234 Ca 0.11 -0.46 -0.07 0.00 0.84 0.00 0.00 57.88 58.30 3i6e h LEU 234 Cb 0.04 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3i6e h LEU 234 CO -0.02 1.26 -0.25 0.24 -0.34 0.00 0.00 178.44 179.33 3i6e h MET 235 N 0.76 0.25 -0.80 1.25 2.86 -1.08 0.66 114.93 118.84 3i6e h MET 235 Ca 0.06 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3i6e h MET 235 Cb 0.98 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.58 3i6e h MET 235 CO 0.10 0.49 0.35 0.00 1.06 0.00 0.00 176.91 178.91 3i6e h ALA 236 N 1.52 1.11 -0.32 6.32 0.00 -0.95 0.15 119.26 127.09 3i6e h ALA 236 Ca 0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 3i6e h ALA 236 Cb 0.57 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3i6e h ALA 236 CO 0.04 0.65 -0.41 0.00 0.00 0.00 0.00 179.25 179.53 3i6e h ARG 237 N 1.15 0.78 -0.32 0.00 3.08 -0.63 -2.83 114.38 115.61 3i6e h ARG 237 Ca 0.27 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 3i6e h ARG 237 Cb 0.16 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3i6e h ARG 237 CO -0.03 1.04 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.78 3i6e h LEU 238 N 0.63 0.49 -1.47 3.04 3.38 -0.34 -2.22 115.31 118.84 3i6e h LEU 238 Ca 0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3i6e h LEU 238 Cb 0.97 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3i6e h LEU 238 CO 0.09 0.60 0.07 -0.09 0.09 0.00 0.00 178.44 179.20 3i6e h ARG 239 N 0.49 0.42 -0.00 1.13 2.43 -0.47 -2.36 114.38 116.01 3i6e h ARG 239 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3i6e h ARG 239 Cb 0.41 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3i6e h ARG 239 CO 0.02 0.39 -0.02 0.41 -1.51 0.00 0.00 179.97 179.26 3i6e n GLY 240 N -1.15 -1.01 0.15 2.80 0.00 -0.84 -4.10 105.19 101.04 3i6e n GLY 240 Ca 0.01 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 0.27 0.00 -8.53 0.99 3.38 -1.38 -3.48 115.31 106.56 3i6e h LEU 241 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3i6e h LEU 241 Cb 0.19 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.83 3i6e h LEU 241 CO 0.00 0.34 -0.33 0.42 0.09 0.00 0.00 178.44 178.96 3i6e s THR 242 N -3.06 0.00 -1.97 0.22 -4.23 -1.26 -5.03 115.64 100.32 3i6e s THR 242 Ca 0.03 -1.72 0.23 0.00 -1.18 0.00 0.00 61.69 59.05 3i6e s THR 242 Cb 0.07 -2.48 0.66 0.00 1.34 0.00 0.00 72.50 72.09 3i6e s THR 242 CO 0.75 0.00 1.55 0.47 -0.54 0.00 0.00 174.62 176.84 3i6e n ASP 243 N -0.88 4.00 -4.70 3.99 8.00 -1.26 -4.89 116.55 120.82 3i6e n ASP 243 Ca 0.02 -2.01 -0.41 0.00 0.71 0.00 0.00 54.79 53.09 3i6e n ASP 243 Cb 0.63 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.02 4.90 0.16 2.53 1.01 -1.26 -4.98 120.40 121.74 3i6e s VAL 244 Ca 0.50 1.83 -0.34 0.00 0.00 0.00 0.00 61.98 63.96 3i6e s VAL 244 Cb 0.26 -4.22 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 3i6e s VAL 244 CO 0.34 0.14 1.47 -2.65 0.00 0.00 0.00 175.10 174.39 3i6e n PRO 245 N 4.27 1.83 -3.71 2.72 -0.02 -1.26 -4.81 135.00 134.02 3i6e n PRO 245 Ca 0.04 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 3i6e n PRO 245 Cb 0.50 -2.36 -0.12 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.65 3.67 -0.10 2.45 2.96 -1.26 -0.72 118.68 126.32 3i6e s LEU 246 Ca 0.78 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 54.39 3i6e s LEU 246 Cb -0.75 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 3i6e s LEU 246 CO 0.43 -0.07 0.09 -0.76 -1.32 0.00 0.00 176.35 174.72 3i6e s LEU 247 N 1.63 4.10 -0.05 -0.68 1.43 -0.07 -0.41 118.68 124.63 3i6e s LEU 247 Ca 0.06 0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 3i6e s LEU 247 Cb -0.16 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 3i6e s LEU 247 CO 0.05 0.39 0.39 0.00 0.23 0.00 0.00 176.35 177.41 3i6e s ALA 248 N -0.99 3.65 0.00 4.21 0.00 -0.34 -0.87 121.76 127.41 3i6e s ALA 248 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3i6e s ALA 248 Cb -0.12 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.59 3i6e s ALA 248 CO 0.04 0.34 0.00 -3.47 0.00 0.00 0.00 175.76 172.67 3i6e n ASP 249 N 2.43 0.00 0.17 0.00 -0.08 -1.26 -0.80 116.55 117.01 3i6e n ASP 249 Ca -0.13 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.34 3i6e n ASP 249 Cb 0.52 0.00 0.80 0.00 2.34 0.00 0.00 41.12 44.78 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 0.04 114.58 115.09 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 -3.29 1.42 0.02 -1.89 -3.42 113.55 106.39 3i6e h SER 251 Ca 0.13 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.56 3i6e h SER 251 Cb 0.75 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.90 3i6e h SER 251 CO -0.00 0.00 -0.78 -0.69 -1.14 0.00 0.00 176.83 174.22 3i6e s VAL 252 N -3.45 0.79 -0.10 2.27 1.01 0.00 -4.89 120.40 116.04 3i6e s VAL 252 Ca 0.03 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 3i6e s VAL 252 Cb 0.09 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 3i6e s VAL 252 CO 0.45 0.09 -0.18 -1.22 0.00 0.00 0.00 175.10 174.23 3i6e n TYR 253 N 4.98 0.09 -3.78 5.22 4.02 -1.26 -4.84 117.16 121.59 3i6e n TYR 253 Ca -0.10 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 3i6e n TYR 253 Cb 0.48 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 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 5.00 0.36 2.72 0.00 -1.26 -2.97 105.19 110.55 3i6e n GLY 254 Ca -0.07 -2.15 0.09 0.00 0.00 0.00 0.00 46.02 43.88 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 0.69 -0.18 1.61 0.11 -1.92 -0.85 132.00 131.46 3i6e h PRO 255 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3i6e h PRO 255 Cb 0.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3i6e h PRO 255 CO 0.00 0.46 0.07 0.93 -0.21 0.00 0.00 178.00 179.25 3i6e h GLU 256 N 0.71 0.28 -0.70 1.05 3.07 -1.98 -1.31 114.58 115.69 3i6e h GLU 256 Ca 0.37 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.13 3i6e h GLU 256 Cb 0.47 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.30 3i6e h GLU 256 CO -0.14 0.36 0.29 -0.44 -1.40 0.00 0.00 179.01 177.68 3i6e h ASP 257 N 0.13 0.96 -0.57 1.42 3.32 -1.78 -2.69 116.42 117.22 3i6e h ASP 257 Ca 0.06 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 56.98 3i6e h ASP 257 Cb 0.19 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3i6e h ASP 257 CO -0.00 0.87 0.32 0.24 -1.72 0.00 0.00 179.24 178.94 3i6e h MET 258 N 1.00 0.59 -0.64 3.56 2.86 -0.85 0.25 114.93 121.70 3i6e h MET 258 Ca 0.24 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 3i6e h MET 258 Cb 0.20 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 3i6e h MET 258 CO -0.02 0.39 0.41 0.28 1.06 0.00 0.00 176.91 179.03 3i6e h VAL 259 N 0.61 1.12 -0.09 -2.22 2.07 -1.10 0.69 116.25 117.33 3i6e h VAL 259 Ca 0.24 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3i6e h VAL 259 Cb 0.10 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3i6e h VAL 259 CO -0.14 0.15 0.01 -0.09 0.02 0.00 0.00 177.57 177.52 3i6e h ARG 260 N 0.82 0.15 -0.89 1.57 2.43 -1.05 -1.73 114.38 115.68 3i6e h ARG 260 Ca 0.25 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.43 3i6e h ARG 260 Cb -0.03 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 3i6e h ARG 260 CO -0.08 0.39 0.56 0.00 -1.51 0.00 0.00 179.97 179.33 3i6e h ALA 261 N 0.76 1.20 -0.34 2.80 0.00 -0.21 -0.62 119.26 122.85 3i6e h ALA 261 Ca 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3i6e h ALA 261 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3i6e h ALA 261 CO 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 3i6e h ALA 262 N 1.40 0.46 -0.75 0.00 0.00 -0.81 -1.49 119.26 118.07 3i6e h ALA 262 Ca 0.37 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i6e h ALA 262 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3i6e h ALA 262 CO -0.15 0.25 0.46 1.25 0.00 0.00 0.00 179.25 181.05 3i6e h HIS 263 N 0.42 0.98 -0.02 0.00 6.17 -0.82 -2.34 115.15 119.55 3i6e h HIS 263 Ca 0.09 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.17 3i6e h HIS 263 Cb 0.49 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.10 3i6e h HIS 263 CO 0.04 0.66 0.00 0.39 0.71 0.00 0.00 177.93 179.73 3i6e n GLU 264 N -4.51 1.41 -3.83 5.26 1.02 -0.28 -4.95 120.64 114.75 3i6e n GLU 264 Ca 0.07 -0.59 -0.26 0.00 -0.02 0.00 0.00 57.16 56.36 3i6e n GLU 264 Cb 0.05 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.09 -0.36 0.05 0.62 0.00 -0.59 -4.84 105.19 101.15 3i6e n GLY 265 Ca 0.20 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.52 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 -4.45 0.00 -3.90 -0.61 -5.35 -1.01 -4.53 119.36 99.50 3i6e n ILE 266 Ca -0.16 -0.02 -0.08 0.00 -0.27 0.00 0.00 62.75 62.22 3i6e n ILE 266 Cb 0.62 -0.24 -0.03 0.00 -1.74 0.00 0.00 39.64 38.25 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 -0.52 0.85 -3.46 0.00 8.00 0.45 -4.98 116.55 116.89 3i6e n ASP 268 Ca -0.03 -0.60 -0.02 0.00 0.71 0.00 0.00 54.79 54.85 3i6e n ASP 268 Cb 0.60 1.28 0.01 0.00 -0.02 0.00 0.00 41.12 42.99 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 -3.13 0.04 0.03 0.44 0.00 -1.15 -1.76 107.32 101.79 3i6e s GLY 269 Ca 0.02 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.54 3i6e s GLY 269 CO 0.72 2.60 -0.07 0.54 0.00 0.00 0.00 173.10 176.89 3i6e s VAL 270 N -2.24 0.53 -0.35 1.40 0.11 -0.21 -1.20 120.40 118.44 3i6e s VAL 270 Ca 0.22 -0.89 -0.18 0.00 -2.93 0.00 0.00 61.98 58.20 3i6e s VAL 270 Cb -0.02 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 3i6e s VAL 270 CO 0.04 -0.26 0.50 -0.55 -3.33 0.00 0.00 175.10 171.50 3i6e s SER 271 N -1.25 6.30 -0.17 3.54 0.15 0.02 -1.32 113.70 120.98 3i6e s SER 271 Ca -0.07 -0.05 -0.13 0.00 0.70 0.00 0.00 55.95 56.40 3i6e s SER 271 Cb -0.08 -2.26 -0.05 0.00 -1.71 0.00 0.00 66.02 61.92 3i6e s SER 271 CO 0.00 -0.47 0.27 -0.63 1.20 0.00 0.00 173.24 173.61 3i6e s ILE 272 N 2.36 5.32 -0.03 6.45 1.01 0.04 -4.76 121.20 131.59 3i6e s ILE 272 Ca 0.18 0.49 0.01 0.00 0.00 0.00 0.00 60.65 61.33 3i6e s ILE 272 Cb -0.16 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.72 3i6e s ILE 272 CO 0.13 0.39 -0.02 -0.54 0.00 0.00 0.00 174.94 174.90 3i6e s LYS 273 N 0.52 0.40 0.47 2.79 1.02 -1.26 -1.63 119.74 122.05 3i6e s LYS 273 Ca 0.15 -0.01 0.20 0.00 0.02 0.00 0.00 55.97 56.33 3i6e s LYS 273 Cb -0.13 -0.50 1.18 0.00 -0.52 0.00 0.00 37.83 37.86 3i6e s LYS 273 CO 0.03 -0.07 2.02 -0.84 -0.92 0.00 0.00 175.35 175.57 3i6e h ILE 274 N 5.95 0.90 0.00 2.17 3.07 -1.86 -0.85 117.51 126.89 3i6e h ILE 274 Ca -0.39 -0.63 -0.03 0.00 1.55 0.00 0.00 64.86 65.36 3i6e h ILE 274 Cb 1.15 1.36 -0.00 0.00 -0.27 0.00 0.00 36.82 39.06 3i6e h ILE 274 CO 0.48 0.17 -0.14 0.24 -1.05 0.00 0.00 178.15 177.85 3i6e h MET 275 N 0.00 0.00 0.02 0.16 2.86 -1.91 0.12 114.93 116.19 3i6e h MET 275 Ca -0.00 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.38 3i6e h MET 275 Cb 0.35 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3i6e h MET 275 CO 0.02 0.14 -1.38 0.87 1.06 0.00 0.00 176.91 177.63 3i6e h LYS 276 N 0.00 0.04 0.00 1.72 1.57 -1.55 -2.96 116.57 115.38 3i6e h LYS 276 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3i6e h LYS 276 Cb 0.45 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3i6e h LYS 276 CO 0.02 1.03 0.00 0.66 -0.57 0.00 0.00 179.45 180.59 3i6e h SER 277 N -0.84 0.00 -1.95 0.86 4.64 -1.09 -3.40 113.55 111.77 3i6e h SER 277 Ca -0.36 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.73 3i6e h SER 277 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3i6e h SER 277 CO -0.17 0.00 -0.31 0.61 -0.87 0.00 0.00 176.83 176.09 3i6e n GLY 278 N -0.43 -0.08 0.00 -0.77 0.00 0.42 -4.75 105.19 99.58 3i6e n GLY 278 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.06 3.21 0.12 -0.02 0.00 -1.14 -3.60 105.19 102.70 3i6e n GLY 279 Ca -0.12 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 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 0.37 -0.48 0.99 4.07 -1.89 -2.94 115.31 115.42 3i6e h LEU 280 Ca 0.00 -0.74 0.01 0.00 0.08 0.00 0.00 57.88 57.23 3i6e h LEU 280 Cb 0.00 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 3i6e h LEU 280 CO 0.00 1.06 0.30 0.74 -1.08 0.00 0.00 178.44 179.46 3i6e h THR 281 N -0.29 1.08 -0.06 0.22 2.02 -1.97 -1.23 112.91 112.68 3i6e h THR 281 Ca -0.04 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3i6e h THR 281 Cb 1.11 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3i6e h THR 281 CO 0.08 0.11 -0.01 0.03 0.37 0.00 0.00 175.52 176.10 3i6e h ARG 282 N 0.61 0.09 -0.46 6.66 3.08 -1.87 -0.37 114.38 122.13 3i6e h ARG 282 Ca 0.19 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 3i6e h ARG 282 Cb -0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3i6e h ARG 282 CO -0.07 0.11 -0.11 0.00 -1.07 0.00 0.00 179.97 178.83 3i6e h ALA 283 N 1.90 0.63 -0.77 0.04 0.00 -1.07 -1.95 119.26 118.05 3i6e h ALA 283 Ca 0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3i6e h ALA 283 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3i6e h ALA 283 CO 0.00 0.53 0.28 1.96 0.00 0.00 0.00 179.25 182.02 3i6e h GLN 284 N 0.72 1.17 -0.77 0.00 4.20 -0.44 -2.11 115.11 117.89 3i6e h GLN 284 Ca 0.12 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3i6e h GLN 284 Cb 0.66 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 3i6e h GLN 284 CO 0.05 0.97 0.37 1.15 -0.67 0.00 0.00 178.83 180.70 3i6e h THR 285 N 1.13 1.24 -0.37 -0.54 2.02 -0.89 -0.18 112.91 115.31 3i6e h THR 285 Ca 0.25 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.77 3i6e h THR 285 Cb 0.26 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3i6e h THR 285 CO -0.01 0.29 0.22 0.58 0.37 0.00 0.00 175.52 176.97 3i6e h VAL 286 N 1.08 1.05 -0.78 3.16 2.07 -1.00 -0.16 116.25 121.68 3i6e h VAL 286 Ca 0.26 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3i6e h VAL 286 Cb 0.11 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3i6e h VAL 286 CO -0.03 0.08 0.47 0.00 0.02 0.00 0.00 177.57 178.11 3i6e h ALA 287 N 1.16 0.99 -0.31 1.67 0.00 -0.80 -0.88 119.26 121.09 3i6e h ALA 287 Ca 0.15 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3i6e h ALA 287 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3i6e h ALA 287 CO -0.06 0.45 -0.42 0.00 0.00 0.00 0.00 179.25 179.22 3i6e h ARG 288 N 1.06 0.76 -0.51 0.00 3.08 -0.73 -1.31 114.38 116.73 3i6e h ARG 288 Ca 0.28 -0.40 -0.12 0.00 0.07 0.00 0.00 59.98 59.81 3i6e h ARG 288 Cb -0.05 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3i6e h ARG 288 CO -0.05 1.03 -0.14 0.82 -1.07 0.00 0.00 179.97 180.55 3i6e h ILE 289 N 0.62 1.27 -0.08 2.04 2.04 -0.78 -1.55 117.51 121.06 3i6e h ILE 289 Ca 0.05 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3i6e h ILE 289 Cb 0.97 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3i6e h ILE 289 CO 0.09 0.45 0.05 0.00 0.00 0.00 0.00 178.15 178.74 3i6e h ALA 290 N 0.90 0.10 -1.00 1.87 0.00 -1.04 -2.60 119.26 117.49 3i6e h ALA 290 Ca 0.13 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3i6e h ALA 290 Cb 0.71 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3i6e h ALA 290 CO 0.05 -0.41 0.65 0.00 0.00 0.00 0.00 179.25 179.54 3i6e h ALA 291 N 1.03 1.37 0.00 0.00 0.00 -1.09 0.68 119.26 121.25 3i6e h ALA 291 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i6e h ALA 291 Cb -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3i6e h ALA 291 CO -0.01 0.51 -0.04 0.00 0.00 0.00 0.00 179.25 179.71 3i6e h ALA 292 N 1.44 1.14 -0.61 0.00 0.00 -0.91 -0.79 119.26 119.53 3i6e h ALA 292 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3i6e h ALA 292 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i6e h ALA 292 CO -0.14 0.05 0.00 0.72 0.00 0.00 0.00 179.25 179.88 3i6e n HIS 293 N -3.33 0.80 -2.55 0.00 8.25 -0.38 -4.94 115.22 113.07 3i6e n HIS 293 Ca -0.02 -0.42 -0.10 0.00 -0.26 0.00 0.00 57.72 56.92 3i6e n HIS 293 Cb 0.18 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.30 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 1.54 0.11 3.45 -1.41 0.00 -0.30 -5.03 105.19 103.54 3i6e n GLY 294 Ca 0.22 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.25 2.64 0.75 0.99 1.43 0.09 -4.97 118.68 116.36 3i6e s LEU 295 Ca 0.12 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 3i6e s LEU 295 Cb -0.05 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.70 3i6e s LEU 295 CO 0.15 0.34 1.11 0.00 0.23 0.00 0.00 176.35 178.18 3i6e s MET 296 N -0.67 2.32 0.01 1.70 0.23 -0.72 -3.26 119.30 118.90 3i6e s MET 296 Ca 0.10 0.15 0.01 0.00 -1.03 0.00 0.00 55.69 54.92 3i6e s MET 296 Cb -0.11 -2.03 -0.01 0.00 -1.53 0.00 0.00 34.83 31.16 3i6e s MET 296 CO 0.00 -1.32 -0.04 0.00 -2.03 0.00 0.00 175.02 171.63 3i6e s ALA 297 N -3.43 0.29 0.03 3.16 0.00 -1.25 -1.05 121.76 119.51 3i6e s ALA 297 Ca 0.60 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 52.27 3i6e s ALA 297 Cb -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3i6e s ALA 297 CO 0.49 -0.00 -0.18 -0.47 0.00 0.00 0.00 175.76 175.59 3i6e s TYR 298 N -0.62 1.62 -1.12 0.00 5.04 -0.43 -2.22 117.35 119.63 3i6e s TYR 298 Ca -0.05 -0.35 -0.18 0.00 -2.44 0.00 0.00 57.07 54.05 3i6e s TYR 298 Cb -0.05 -0.98 0.10 0.00 0.35 0.00 0.00 41.96 41.38 3i6e s TYR 298 CO -0.00 0.05 1.44 0.20 -1.34 0.00 0.00 175.55 175.90 3i6e s GLY 299 N -0.99 1.80 0.80 8.97 0.00 0.69 -0.78 107.32 117.81 3i6e s GLY 299 Ca 0.06 -2.82 -0.09 0.00 0.00 0.00 0.00 44.72 41.86 3i6e s GLY 299 CO 0.01 2.38 1.13 -0.32 0.00 0.00 0.00 173.10 176.30 3i6e s GLY 300 N 3.93 1.71 0.29 0.20 0.00 -0.65 -1.09 107.32 111.71 3i6e s GLY 300 Ca 0.44 -1.06 -0.15 0.00 0.00 0.00 0.00 44.72 43.95 3i6e s GLY 300 CO -0.03 -0.52 0.59 0.51 0.00 0.00 0.00 173.10 173.66 3i6e s ASP 301 N -4.66 -0.03 0.09 1.64 -4.77 -1.26 -4.49 116.67 103.18 3i6e s ASP 301 Ca 0.65 -0.92 0.01 0.00 -3.30 0.00 0.00 52.55 48.99 3i6e s ASP 301 Cb -0.08 0.67 0.01 0.00 -1.09 0.00 0.00 42.92 42.43 3i6e s ASP 301 CO 0.48 -1.29 0.08 0.23 0.70 0.00 0.00 175.17 175.37 3i6e n MET 302 N -0.44 1.24 -2.68 2.11 2.81 -1.26 -4.98 117.12 113.91 3i6e n MET 302 Ca -0.03 -0.52 -0.43 0.00 -1.81 0.00 0.00 57.70 54.91 3i6e n MET 302 Cb 0.61 0.03 -0.00 0.00 -0.71 0.00 0.00 33.22 33.14 3i6e n MET 302 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3i6e s PHE 303 N -0.16 2.96 0.50 2.03 0.08 -1.26 -4.91 117.98 117.22 3i6e s PHE 303 Ca 0.06 -1.72 0.07 0.00 0.12 0.00 0.00 56.93 55.46 3i6e s PHE 303 Cb -0.00 -4.64 0.02 0.00 -0.57 0.00 0.00 43.02 37.83 3i6e s PHE 303 CO 0.04 -1.71 0.42 -1.83 -0.10 0.00 0.00 175.22 172.04 3i6e s GLU 304 N 3.56 2.34 0.03 0.44 -1.05 -1.26 -4.85 118.70 117.91 3i6e s GLU 304 Ca 0.50 -1.83 0.00 0.00 -0.15 0.00 0.00 54.97 53.50 3i6e s GLU 304 Cb 0.02 -2.23 0.00 0.00 -0.44 0.00 0.00 34.13 31.49 3i6e s GLU 304 CO 0.05 -0.48 0.02 0.00 0.95 0.00 0.00 175.26 175.80 3i6e n ALA 305 N -1.71 0.04 0.16 -0.84 0.00 -1.26 -4.45 120.51 112.45 3i6e n ALA 305 Ca 0.02 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.42 3i6e n ALA 305 Cb 0.63 0.04 0.55 0.00 0.00 0.00 0.00 19.45 20.67 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 0.03 0.20 0.83 0.00 0.00 -1.96 -1.96 103.07 100.22 3i6e h GLY 306 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3i6e h GLY 306 CO 0.02 0.08 0.04 -2.00 0.00 0.00 0.00 176.54 174.68 3i6e h LEU 307 N 0.20 0.25 -0.98 3.11 5.85 -1.96 -1.07 115.31 120.70 3i6e h LEU 307 Ca 0.05 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 3i6e h LEU 307 Cb 0.02 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3i6e h LEU 307 CO -0.01 0.43 -0.13 0.00 -0.34 0.00 0.00 178.44 178.39 3i6e h ALA 308 N 0.84 1.15 -0.70 1.25 0.00 -1.82 -2.60 119.26 117.38 3i6e h ALA 308 Ca 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3i6e h ALA 308 Cb 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3i6e h ALA 308 CO 0.00 0.54 0.38 0.45 0.00 0.00 0.00 179.25 180.62 3i6e h HIS 309 N 0.53 0.96 -0.31 0.00 3.86 -1.07 -1.21 115.15 117.91 3i6e h HIS 309 Ca 0.09 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3i6e h HIS 309 Cb 0.54 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3i6e h HIS 309 CO 0.02 0.68 0.17 -0.07 0.86 0.00 0.00 177.93 179.59 3i6e h LEU 310 N 0.96 0.39 -0.28 2.43 3.38 -0.92 0.18 115.31 121.45 3i6e h LEU 310 Ca 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3i6e h LEU 310 Cb 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3i6e h LEU 310 CO -0.04 0.36 0.18 0.00 0.09 0.00 0.00 178.44 179.03 3i6e h ALA 311 N 1.04 0.35 -0.60 1.53 0.00 -1.20 -1.28 119.26 119.11 3i6e h ALA 311 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3i6e h ALA 311 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3i6e h ALA 311 CO -0.02 -0.18 0.25 0.78 0.00 0.00 0.00 179.25 180.08 3i6e h GLY 312 N 0.37 0.93 0.97 0.00 0.00 -0.99 -2.19 103.07 102.15 3i6e h GLY 312 Ca 0.10 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3i6e h GLY 312 CO -0.03 0.44 0.12 -0.84 0.00 0.00 0.00 176.54 176.23 3i6e h THR 313 N 0.85 1.24 -0.44 4.70 2.02 -0.00 -1.47 112.91 119.81 3i6e h THR 313 Ca 0.20 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 3i6e h THR 313 Cb 0.15 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3i6e h THR 313 CO -0.02 0.29 -0.10 0.45 0.37 0.00 0.00 175.52 176.52 3i6e h HIS 314 N 0.65 0.86 0.45 3.16 3.86 -1.07 -0.85 115.15 122.21 3i6e h HIS 314 Ca 0.15 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3i6e h HIS 314 Cb 0.32 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3i6e h HIS 314 CO 0.02 0.84 -0.22 1.98 0.86 0.00 0.00 177.93 181.42 3i6e h MET 315 N 0.71 -0.59 -0.78 2.45 -1.53 -1.15 -2.63 114.93 111.42 3i6e h MET 315 Ca 0.12 0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.43 3i6e h MET 315 Cb 0.58 0.13 -0.04 0.00 -0.55 0.00 0.00 31.60 31.72 3i6e h MET 315 CO 0.04 -0.36 0.50 0.82 0.14 0.00 0.00 176.91 178.05 3i6e h ILE 316 N -0.67 1.21 -0.23 1.77 2.04 -1.20 -1.67 117.51 118.76 3i6e h ILE 316 Ca -0.06 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.43 3i6e h ILE 316 Cb 0.50 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3i6e h ILE 316 CO 0.10 0.20 0.16 0.00 0.00 0.00 0.00 178.15 178.62 3i6e h ALA 317 N 1.49 2.02 -0.56 1.87 0.00 -0.94 -1.10 119.26 122.04 3i6e h ALA 317 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3i6e h ALA 317 Cb -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3i6e h ALA 317 CO -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.12 3i6e n ALA 318 N -2.54 2.41 -3.73 0.00 0.00 -0.66 -0.72 120.51 115.26 3i6e n ALA 318 Ca 0.02 -1.09 -0.29 0.00 0.00 0.00 0.00 53.44 52.08 3i6e n ALA 318 Cb 0.20 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.26 1.56 0.58 0.00 2.01 -0.42 -4.87 115.64 113.24 3i6e s THR 319 Ca 0.42 -2.72 0.28 0.00 0.31 0.00 0.00 61.69 59.99 3i6e s THR 319 Cb 0.23 -2.08 0.37 0.00 0.01 0.00 0.00 72.50 71.02 3i6e s THR 319 CO 0.31 -0.90 2.04 1.55 -0.69 0.00 0.00 174.62 176.92 3i6e h PRO 320 N 6.60 0.00 0.00 4.92 0.13 -1.86 -2.24 132.00 139.55 3i6e h PRO 320 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 3i6e h PRO 320 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 3i6e h PRO 320 CO 0.51 0.00 -0.03 0.93 -0.23 0.00 0.00 178.00 179.18 3i6e h GLU 321 N 0.00 0.00 -5.37 0.86 3.07 -1.92 -3.37 114.58 107.84 3i6e h GLU 321 Ca 0.13 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.36 3i6e h GLU 321 Cb 0.71 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.47 3i6e h GLU 321 CO -0.00 0.03 0.50 0.42 -1.40 0.00 0.00 179.01 178.56 3i6e s ILE 322 N -3.95 4.38 -0.49 3.13 1.01 -0.85 -3.94 121.20 120.50 3i6e s ILE 322 Ca -0.02 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.27 3i6e s ILE 322 Cb 0.11 -4.66 -0.00 0.00 0.01 0.00 0.00 42.46 37.92 3i6e s ILE 322 CO 0.51 -1.41 0.46 0.35 0.00 0.00 0.00 174.94 174.84 3i6e n THR 323 N 5.89 0.00 1.22 2.92 -2.24 -0.99 -4.68 114.28 116.40 3i6e n THR 323 Ca -0.04 -0.44 0.06 0.00 -2.27 0.00 0.00 64.05 61.36 3i6e n THR 323 Cb 0.45 1.06 0.21 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.38 1.39 0.00 3.22 4.77 -0.94 -5.04 117.00 120.02 3i6e n LEU 324 Ca 0.02 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3i6e n LEU 324 Cb 0.11 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3i6e n LEU 324 CO 0.07 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3i6e n GLY 325 N 0.96 -2.18 3.18 -0.72 0.00 -1.26 -4.80 105.19 100.37 3i6e n GLY 325 Ca 0.11 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.13 3.35 -2.12 0.00 0.28 -0.25 -0.65 120.64 121.12 3i6e n GLU 327 Ca -0.07 -4.20 -0.42 0.00 -0.16 0.00 0.00 57.16 52.31 3i6e n GLU 327 Cb 0.63 -2.19 0.00 0.00 1.43 0.00 0.00 31.44 31.32 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 -0.61 3.25 0.13 -1.84 3.72 -1.26 -4.54 117.46 116.31 3i6e n PHE 328 Ca 0.39 -2.88 0.08 0.00 -0.05 0.00 0.00 57.45 54.99 3i6e n PHE 328 Cb 0.86 -2.20 -0.12 0.00 -0.94 0.00 0.00 39.48 37.08 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 4.86 0.00 -0.26 1.38 0.18 -1.26 -4.69 117.16 117.37 3i6e n TYR 329 Ca 0.45 0.00 0.01 0.00 1.88 0.00 0.00 57.90 60.23 3i6e n TYR 329 Cb 0.38 -0.30 0.13 0.00 -0.38 0.00 0.00 39.34 39.17 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 0.68 0.00 -3.48 7.50 -1.85 0.22 115.11 118.18 3i6e h GLN 330 Ca 0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 3i6e h GLN 330 Cb 0.67 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 28.04 3i6e h GLN 330 CO 0.00 0.45 -0.06 0.00 -1.50 0.00 0.00 178.83 177.71 3i6e h ALA 331 N 1.41 1.60 0.07 3.87 0.00 -1.84 0.61 119.26 124.98 3i6e h ALA 331 Ca 0.35 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.83 3i6e h ALA 331 Cb 0.30 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3i6e h ALA 331 CO -0.23 0.08 -2.19 0.43 0.00 0.00 0.00 179.25 177.34 3i6e n SER 332 N -4.03 2.06 0.00 0.00 7.64 -0.82 -4.67 113.62 113.79 3i6e n SER 332 Ca -0.03 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.93 3i6e n SER 332 Cb 0.15 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 3i6e n SER 332 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3i6e n TYR 333 N -3.44 0.00 -0.02 1.43 4.01 0.00 -4.89 117.16 114.26 3i6e n TYR 333 Ca -0.38 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.31 3i6e n TYR 333 Cb 1.01 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.02 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 -0.03 0.00 -2.55 -0.72 7.35 0.02 -4.99 117.46 116.55 3i6e n PHE 334 Ca 0.00 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.30 3i6e n PHE 334 Cb 0.01 -0.16 -0.05 0.00 0.35 0.00 0.00 39.48 39.63 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 -6.20 4.48 0.18 -2.13 1.43 -0.14 -4.48 118.68 111.82 3i6e s LEU 335 Ca -0.06 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 3i6e s LEU 335 Cb 0.02 -3.75 0.09 0.00 0.03 0.00 0.00 46.19 42.58 3i6e s LEU 335 CO 0.08 -0.16 1.74 -1.13 0.23 0.00 0.00 176.35 177.11 3i6e h ASN 336 N 3.59 0.86 -3.97 2.29 -0.00 -1.25 -3.44 115.58 113.66 3i6e h ASN 336 Ca -0.47 -0.17 -0.14 0.00 -0.00 0.00 0.00 56.30 55.52 3i6e h ASN 336 Cb 1.21 -0.22 -0.24 0.00 -0.00 0.00 0.00 38.32 39.06 3i6e h ASN 336 CO 0.66 0.80 -0.34 -0.70 -0.00 0.00 0.00 177.43 177.85 3i6e s GLU 337 N -5.55 0.40 0.76 6.67 2.12 -1.26 -5.08 118.70 116.75 3i6e s GLU 337 Ca -0.13 0.37 -0.06 0.00 0.36 0.00 0.00 54.97 55.51 3i6e s GLU 337 Cb 0.13 0.19 0.12 0.00 0.26 0.00 0.00 34.13 34.83 3i6e s GLU 337 CO 0.80 -0.06 1.06 0.34 -0.54 0.00 0.00 175.26 176.86 3i6e s ASP 338 N 0.01 4.27 0.00 -1.70 2.15 -1.26 -4.89 116.67 115.25 3i6e s ASP 338 Ca -0.01 0.04 0.19 0.00 0.43 0.00 0.00 52.55 53.20 3i6e s ASP 338 Cb -0.03 -0.46 0.03 0.00 -0.30 0.00 0.00 42.92 42.17 3i6e s ASP 338 CO 0.01 -1.93 0.99 2.30 -0.17 0.00 0.00 175.17 176.37 3i6e n ILE 339 N -3.03 0.00 -1.79 4.11 -5.35 -1.26 -5.00 119.36 107.04 3i6e n ILE 339 Ca 0.12 -0.35 -0.31 0.00 -0.27 0.00 0.00 62.75 61.94 3i6e n ILE 339 Cb 0.60 1.27 0.03 0.00 -1.74 0.00 0.00 39.64 39.80 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 -2.07 3.26 0.23 7.28 1.43 -1.26 0.45 118.68 128.00 3i6e s LEU 340 Ca 0.17 1.60 0.12 0.00 -1.03 0.00 0.00 54.13 55.00 3i6e s LEU 340 Cb 0.15 -4.50 0.05 0.00 0.03 0.00 0.00 46.19 41.93 3i6e s LEU 340 CO 0.42 -1.20 1.43 -0.33 0.23 0.00 0.00 176.35 176.90 3i6e h GLU 341 N -0.30 0.00 -5.79 1.70 5.08 -0.93 -3.40 114.58 110.95 3i6e h GLU 341 Ca -0.45 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.40 3i6e h GLU 341 Cb 1.20 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.21 3i6e h GLU 341 CO 0.58 0.67 -0.82 0.95 -1.00 0.00 0.00 179.01 179.40 3i6e s THR 342 N -2.98 1.45 0.36 1.13 -4.23 -1.26 -5.03 115.64 105.08 3i6e s THR 342 Ca 0.02 -1.20 -0.28 0.00 -1.18 0.00 0.00 61.69 59.04 3i6e s THR 342 Cb 0.09 -1.29 -0.11 0.00 1.34 0.00 0.00 72.50 72.53 3i6e s THR 342 CO 0.77 0.06 1.48 -2.84 -0.54 0.00 0.00 174.62 173.54 3i6e s PRO 343 N -1.34 4.13 -0.13 3.99 0.02 -1.26 -4.92 135.00 135.49 3i6e s PRO 343 Ca 0.05 2.54 -0.29 0.00 0.02 0.00 0.00 61.00 63.31 3i6e s PRO 343 Cb -0.09 -2.98 -0.05 0.00 0.02 0.00 0.00 34.50 31.40 3i6e s PRO 343 CO 0.02 -0.51 1.86 0.12 -0.33 0.00 0.00 177.00 178.16 3i6e s PHE 344 N -1.02 1.63 -0.07 6.54 5.36 -1.26 -4.90 117.98 124.26 3i6e s PHE 344 Ca 0.53 0.21 -0.30 0.00 -0.96 0.00 0.00 56.93 56.41 3i6e s PHE 344 Cb -0.46 -4.04 -0.04 0.00 -0.34 0.00 0.00 43.02 38.14 3i6e s PHE 344 CO 0.61 -4.09 1.33 1.03 -1.46 0.00 0.00 175.22 172.65 3i6e s ARG 345 N 4.93 4.28 -0.04 10.12 0.52 -1.26 -4.97 118.95 132.53 3i6e s ARG 345 Ca 0.83 1.82 -0.02 0.00 -0.52 0.00 0.00 55.73 57.85 3i6e s ARG 345 Cb -0.33 -3.67 0.03 0.00 0.52 0.00 0.00 34.95 31.50 3i6e s ARG 345 CO 0.34 -0.61 0.06 0.08 0.02 0.00 0.00 175.30 175.19 3i6e s VAL 346 N 2.85 -0.10 -0.06 3.52 1.01 -1.26 -1.48 120.40 124.86 3i6e s VAL 346 Ca 0.60 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.98 3i6e s VAL 346 Cb -0.27 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 35.98 3i6e s VAL 346 CO 0.22 0.16 -0.12 -1.61 0.00 0.00 0.00 175.10 173.75 3i6e s GLU 347 N 1.94 1.67 -1.47 2.72 2.02 0.26 -4.78 118.70 121.05 3i6e s GLU 347 Ca 0.02 -0.40 -0.09 0.00 0.02 0.00 0.00 54.97 54.52 3i6e s GLU 347 Cb -0.12 -1.39 0.06 0.00 0.10 0.00 0.00 34.13 32.78 3i6e s GLU 347 CO -0.03 0.02 0.84 0.00 0.02 0.00 0.00 175.26 176.11 3i6e n ALA 348 N 3.83 -1.56 -1.20 5.21 0.00 -1.26 -0.93 120.51 124.60 3i6e n ALA 348 Ca -0.23 0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 3i6e n ALA 348 Cb 0.52 -3.44 -0.03 0.00 0.00 0.00 0.00 19.45 16.50 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 -1.67 0.89 3.09 0.00 0.00 -1.17 -4.64 105.19 101.69 3i6e n GLY 349 Ca -0.08 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.30 2.41 0.12 1.61 -1.52 -0.10 -1.79 119.66 118.08 3i6e s GLN 350 Ca 0.00 -0.63 -0.31 0.00 -1.95 0.00 0.00 55.36 52.47 3i6e s GLN 350 Cb 0.00 -2.01 -0.08 0.00 -0.22 0.00 0.00 33.01 30.70 3i6e s GLN 350 CO 0.00 -0.04 1.39 0.08 -0.25 0.00 0.00 175.29 176.47 3i6e s VAL 351 N 0.92 3.28 -0.18 1.09 1.01 0.14 -0.58 120.40 126.08 3i6e s VAL 351 Ca -0.07 0.92 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 3i6e s VAL 351 Cb -0.15 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3i6e s VAL 351 CO -0.01 0.07 0.50 -0.63 0.00 0.00 0.00 175.10 175.04 3i6e s ILE 352 N 1.07 5.13 -0.28 2.22 -1.09 -0.55 -1.04 121.20 126.66 3i6e s ILE 352 Ca 0.64 0.94 -0.29 0.00 -2.23 0.00 0.00 60.65 59.71 3i6e s ILE 352 Cb -0.37 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 3i6e s ILE 352 CO 0.31 0.21 1.22 -0.69 -1.23 0.00 0.00 174.94 174.76 3i6e s VAL 353 N 1.41 4.29 0.55 2.92 1.01 -0.07 -4.80 120.40 125.73 3i6e s VAL 353 Ca 0.24 1.49 -0.21 0.00 0.00 0.00 0.00 61.98 63.51 3i6e s VAL 353 Cb -0.15 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 3i6e s VAL 353 CO 0.10 -0.40 1.28 -2.84 0.00 0.00 0.00 175.10 173.24 3i6e s PRO 354 N 3.86 3.15 0.00 2.72 0.02 -1.26 -4.96 135.00 138.53 3i6e s PRO 354 Ca 0.52 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.59 3i6e s PRO 354 Cb -0.16 -2.16 -0.01 0.00 0.02 0.00 0.00 34.50 32.19 3i6e s PRO 354 CO 0.19 -1.12 0.12 -0.25 -0.33 0.00 0.00 177.00 175.60 3i6e n ASP 355 N -1.16 0.20 -3.34 2.53 8.00 -1.26 -4.93 116.55 116.58 3i6e n ASP 355 Ca 0.11 -0.60 -0.30 0.00 0.71 0.00 0.00 54.79 54.72 3i6e n ASP 355 Cb 0.47 0.86 0.27 0.00 -0.02 0.00 0.00 41.12 42.70 3i6e n ASP 355 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6e n GLY 356 N 0.90 -3.47 3.78 0.44 0.00 -1.26 -4.32 105.19 101.25 3i6e n GLY 356 Ca 0.00 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 3i6e n GLY 356 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i6e s PRO 357 N -5.19 3.43 5.07 1.61 0.04 -1.26 -3.14 135.00 135.56 3i6e s PRO 357 Ca 0.67 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3i6e s PRO 357 Cb -0.10 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3i6e s PRO 357 CO 0.54 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 177.23 3i6e n GLY 358 N -0.09 2.02 0.14 0.56 0.00 0.20 -2.36 105.19 105.65 3i6e n GLY 358 Ca 0.11 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.73 3i6e n GLY 358 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i6e n LEU 359 N 0.00 0.68 0.00 0.99 4.77 -1.26 -1.46 117.00 120.71 3i6e n LEU 359 Ca 0.00 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 3i6e n LEU 359 Cb 0.00 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 3i6e n LEU 359 CO 0.00 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.07 3i6e n GLY 360 N -0.10 0.64 3.55 -0.72 0.00 -0.99 -4.84 105.19 102.72 3i6e n GLY 360 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.44 -1.86 0.09 4.61 0.00 -1.26 -4.84 121.76 116.06 3i6e s ALA 361 Ca 0.00 1.42 0.03 0.00 0.00 0.00 0.00 51.96 53.41 3i6e s ALA 361 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3i6e s ALA 361 CO 0.00 -0.37 0.11 1.03 0.00 0.00 0.00 175.76 176.52 3i6e s ARG 362 N -1.37 2.97 0.08 0.00 0.52 -1.26 -5.00 118.95 114.89 3i6e s ARG 362 Ca -0.04 -0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 54.20 3i6e s ARG 362 Cb -0.00 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.65 3i6e s ARG 362 CO 0.03 0.56 0.94 0.00 0.02 0.00 0.00 175.30 176.85 3i6e s ALA 363 N -1.45 3.24 -0.45 2.13 0.00 -1.26 -0.27 121.76 123.70 3i6e s ALA 363 Ca 0.30 0.53 -0.28 0.00 0.00 0.00 0.00 51.96 52.51 3i6e s ALA 363 Cb -0.12 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3i6e s ALA 363 CO 0.23 -0.06 1.50 0.34 0.00 0.00 0.00 175.76 177.77 3i6e s ASP 364 N 0.20 6.15 0.36 0.00 -1.08 0.17 -4.73 116.67 117.75 3i6e s ASP 364 Ca 0.47 0.72 0.14 0.00 -0.52 0.00 0.00 52.55 53.35 3i6e s ASP 364 Cb -0.22 -2.54 0.98 0.00 -1.46 0.00 0.00 42.92 39.68 3i6e s ASP 364 CO 0.28 -1.61 1.77 -0.65 0.52 0.00 0.00 175.17 175.49 3i6e h PRO 365 N 11.39 0.50 -0.46 4.34 0.11 -1.93 -0.68 132.00 145.26 3i6e h PRO 365 Ca -0.28 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3i6e h PRO 365 Cb 1.11 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3i6e h PRO 365 CO 1.11 0.33 0.24 0.93 -0.21 0.00 0.00 178.00 180.40 3i6e h GLU 366 N 0.51 0.65 -0.60 1.05 4.39 -1.96 -1.99 114.58 116.65 3i6e h GLU 366 Ca 0.59 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 60.12 3i6e h GLU 366 Cb 1.29 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 3i6e h GLU 366 CO -0.34 0.53 0.04 0.87 -1.16 0.00 0.00 179.01 178.95 3i6e h LYS 367 N 0.60 1.03 -0.53 2.33 1.57 -1.48 0.11 116.57 120.19 3i6e h LYS 367 Ca 0.16 -0.31 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3i6e h LYS 367 Cb 0.09 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 3i6e h LYS 367 CO -0.02 0.99 0.28 -0.07 -0.57 0.00 0.00 179.45 180.06 3i6e h LEU 368 N 0.92 0.40 -0.20 2.94 3.38 -1.16 0.23 115.31 121.81 3i6e h LEU 368 Ca 0.17 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3i6e h LEU 368 Cb 0.51 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3i6e h LEU 368 CO 0.02 0.27 -0.01 -0.08 0.09 0.00 0.00 178.44 178.74 3i6e h GLU 369 N 0.53 0.37 -0.71 1.13 4.57 -1.07 -1.44 114.58 117.96 3i6e h GLU 369 Ca 0.24 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3i6e h GLU 369 Cb 0.14 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 3i6e h GLU 369 CO -0.16 0.58 0.41 1.25 -1.18 0.00 0.00 179.01 179.91 3i6e h HIS 370 N 0.12 0.95 -0.02 0.92 2.76 -0.21 -3.09 115.15 116.58 3i6e h HIS 370 Ca 0.06 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3i6e h HIS 370 Cb 0.42 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.07 3i6e h HIS 370 CO 0.04 0.66 -0.10 0.66 -1.30 0.00 0.00 177.93 177.88 3i6e n TYR 371 N -4.51 0.00 -2.31 5.26 4.01 0.74 -4.96 117.16 115.39 3i6e n TYR 371 Ca 0.06 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.40 3i6e n TYR 371 Cb 0.07 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 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 -2.13 3.45 -0.50 -0.72 0.00 -0.54 -1.36 121.76 119.96 3i6e s ALA 372 Ca 0.29 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.39 3i6e s ALA 372 Cb 0.20 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 3i6e s ALA 372 CO 0.38 -0.39 0.41 1.33 0.00 0.00 0.00 175.76 177.49 3i6e n VAL 373 N 1.07 0.00 -3.61 0.00 0.24 0.91 -4.90 118.33 112.05 3i6e n VAL 373 Ca -0.00 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.34 61.82 3i6e n VAL 373 Cb 0.43 1.03 -0.07 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.54 0.75 0.00 7.34 3.52 -1.17 -4.99 118.95 122.85 3i6e s ARG 374 Ca 0.04 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.30 3i6e s ARG 374 Cb 0.06 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.81 3i6e s ARG 374 CO 0.28 -0.14 0.00 2.89 -0.81 0.00 0.00 175.30 177.52