#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s57 n MET 80 N 0.00 2.41 -2.42 -1.46 0.00 -1.26 -4.98 117.12 109.40 1s57 n MET 80 Ca 0.00 -3.06 -0.39 0.00 0.00 0.00 0.00 57.70 54.26 1s57 n MET 80 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 33.22 30.99 1s57 n MET 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1s57 s GLU 81 N -3.44 4.31 -0.19 0.03 2.02 -1.26 -4.97 118.70 115.20 1s57 s GLU 81 Ca 0.59 1.76 -0.26 0.00 0.02 0.00 0.00 54.97 57.07 1s57 s GLU 81 Cb 0.48 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.86 1s57 s GLU 81 CO 0.06 -0.07 0.88 0.16 0.02 0.00 0.00 175.26 176.31 1s57 s ASP 82 N -1.13 6.98 -0.00 -0.19 -4.77 -1.26 -5.02 116.67 111.29 1s57 s ASP 82 Ca 0.52 1.21 -0.26 0.00 -3.30 0.00 0.00 52.55 50.73 1s57 s ASP 82 Cb -0.29 -2.47 -0.04 0.00 -1.09 0.00 0.00 42.92 39.02 1s57 s ASP 82 CO 0.37 -0.47 0.80 -0.69 0.70 0.00 0.00 175.17 175.87 1s57 s VAL 83 N 2.46 4.87 0.47 2.11 1.01 -1.26 -4.41 120.40 125.65 1s57 s VAL 83 Ca 0.39 1.67 0.02 0.00 0.00 0.00 0.00 61.98 64.07 1s57 s VAL 83 Cb -0.16 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1s57 s VAL 83 CO 0.11 0.28 0.04 -1.83 0.00 0.00 0.00 175.10 173.69 1s57 s GLU 84 N 0.50 2.10 0.06 2.72 -1.05 -0.38 -4.91 118.70 117.74 1s57 s GLU 84 Ca 0.41 -2.32 0.05 0.00 -0.15 0.00 0.00 54.97 52.97 1s57 s GLU 84 Cb -0.20 -1.28 -0.03 0.00 -0.44 0.00 0.00 34.13 32.19 1s57 s GLU 84 CO 0.22 -0.37 -0.13 -1.21 0.95 0.00 0.00 175.26 174.72 1s57 s GLU 85 N -3.82 0.82 0.05 -4.83 2.02 -1.26 -1.31 118.70 110.37 1s57 s GLU 85 Ca 0.13 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.29 1s57 s GLU 85 Cb 0.03 -0.81 -0.02 0.00 0.10 0.00 0.00 34.13 33.42 1s57 s GLU 85 CO 0.07 0.19 -0.09 -0.08 0.02 0.00 0.00 175.26 175.37 1s57 s THR 86 N -1.12 0.61 -0.18 3.63 -1.32 -0.21 -4.43 115.64 112.62 1s57 s THR 86 Ca -0.01 -1.12 -0.14 0.00 -1.21 0.00 0.00 61.69 59.21 1s57 s THR 86 Cb -0.09 -0.68 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 1s57 s THR 86 CO 0.02 -0.37 0.31 -0.47 -2.21 0.00 0.00 174.62 171.90 1s57 s TYR 87 N -1.39 3.42 -0.06 9.09 5.04 -1.26 -1.54 117.35 130.64 1s57 s TYR 87 Ca -0.09 0.56 0.03 0.00 -2.44 0.00 0.00 57.07 55.14 1s57 s TYR 87 Cb -0.10 -2.39 0.01 0.00 0.35 0.00 0.00 41.96 39.83 1s57 s TYR 87 CO 0.01 0.15 -0.15 0.42 -1.34 0.00 0.00 175.55 174.63 1s57 s ILE 88 N 0.78 1.29 -0.03 3.14 1.01 -0.46 -1.50 121.20 125.43 1s57 s ILE 88 Ca 0.16 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1s57 s ILE 88 Cb -0.14 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.20 1s57 s ILE 88 CO 0.05 0.38 -0.09 -0.32 0.00 0.00 0.00 174.94 174.97 1s57 s MET 89 N 0.40 1.05 -0.27 2.79 1.75 -0.10 -0.44 119.30 124.48 1s57 s MET 89 Ca -0.11 -0.30 -0.20 0.00 -1.25 0.00 0.00 55.69 53.83 1s57 s MET 89 Cb -0.14 -0.96 -0.01 0.00 2.84 0.00 0.00 34.83 36.55 1s57 s MET 89 CO 0.04 0.08 0.64 0.08 -0.65 0.00 0.00 175.02 175.21 1s57 s VAL 90 N 0.34 4.96 0.85 10.11 1.01 -0.26 -1.04 120.40 136.37 1s57 s VAL 90 Ca -0.06 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 1s57 s VAL 90 Cb -0.10 -3.97 0.10 0.00 0.00 0.00 0.00 36.38 32.41 1s57 s VAL 90 CO 0.01 -0.04 1.10 -0.54 0.00 0.00 0.00 175.10 175.63 1s57 s LYS 91 N 2.56 1.65 0.41 2.72 1.02 0.26 -1.92 119.74 126.44 1s57 s LYS 91 Ca 0.26 0.70 0.22 0.00 0.02 0.00 0.00 55.97 57.17 1s57 s LYS 91 Cb -0.15 -1.86 1.20 0.00 -0.52 0.00 0.00 37.83 36.50 1s57 s LYS 91 CO 0.10 -1.94 1.72 -1.35 -0.92 0.00 0.00 175.35 172.96 1s57 h PRO 92 N -1.32 0.28 -0.02 -1.68 0.11 -1.85 0.28 132.00 127.80 1s57 h PRO 92 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1s57 h PRO 92 Cb 1.28 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1s57 h PRO 92 CO 0.57 0.19 -0.41 0.38 -0.21 0.00 0.00 178.00 178.52 1s57 h ASP 93 N 0.29 0.05 -0.48 -2.05 2.03 -1.89 -1.82 116.42 112.54 1s57 h ASP 93 Ca 0.68 -0.02 -0.09 0.00 -0.73 0.00 0.00 57.03 56.87 1s57 h ASP 93 Cb 1.85 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 40.32 1s57 h ASP 93 CO -0.36 0.45 -0.02 1.23 -1.03 0.00 0.00 179.24 179.51 1s57 h GLY 94 N 1.23 0.99 0.76 7.15 0.00 -0.65 -1.40 103.07 111.15 1s57 h GLY 94 Ca 0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 1s57 h GLY 94 CO 0.05 0.66 -0.19 -2.22 0.00 0.00 0.00 176.54 174.85 1s57 h ILE 95 N 0.85 1.35 -0.49 2.60 5.03 -1.36 -0.66 117.51 124.83 1s57 h ILE 95 Ca 0.15 -1.38 0.00 0.00 -0.12 0.00 0.00 64.86 63.51 1s57 h ILE 95 Cb 0.53 1.91 -0.02 0.00 -3.03 0.00 0.00 36.82 36.21 1s57 h ILE 95 CO 0.03 0.41 0.31 1.56 -0.68 0.00 0.00 178.15 179.77 1s57 h GLN 96 N 0.01 0.66 -0.20 2.37 1.08 -1.24 -2.21 115.11 115.58 1s57 h GLN 96 Ca 0.02 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1s57 h GLN 96 Cb 0.74 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1s57 h GLN 96 CO 0.04 0.45 0.00 0.54 -0.95 0.00 0.00 178.83 178.91 1s57 n ARG 97 N -4.45 1.79 -3.29 1.46 1.74 -0.54 -4.95 116.66 108.42 1s57 n ARG 97 Ca 0.04 -1.19 -0.17 0.00 -0.77 0.00 0.00 57.85 55.77 1s57 n ARG 97 Cb 0.07 -1.39 0.07 0.00 -1.02 0.00 0.00 32.46 30.18 1s57 n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s57 n GLY 98 N 1.15 -0.22 0.79 -0.13 0.00 -0.83 -4.95 105.19 101.00 1s57 n GLY 98 Ca 0.16 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1s57 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s57 n LEU 99 N -3.88 3.03 0.21 0.99 4.77 -0.28 -4.67 117.00 117.17 1s57 n LEU 99 Ca -0.07 -1.81 -0.15 0.00 -0.03 0.00 0.00 56.01 53.95 1s57 n LEU 99 Cb 0.58 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1s57 n LEU 99 CO 0.50 0.73 0.69 0.58 -1.33 0.00 0.00 177.39 178.57 1s57 h VAL 100 N 2.71 0.45 -0.69 4.08 2.07 -1.91 -0.91 116.25 122.06 1s57 h VAL 100 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1s57 h VAL 100 Cb 0.77 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1s57 h VAL 100 CO 0.00 0.00 0.38 1.23 0.02 0.00 0.00 177.57 179.20 1s57 h GLY 101 N -0.61 1.02 1.03 2.17 0.00 -1.96 -1.29 103.07 103.43 1s57 h GLY 101 Ca -0.03 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1s57 h GLY 101 CO -0.00 0.44 0.40 -2.09 0.00 0.00 0.00 176.54 175.28 1s57 h GLU 102 N 0.94 1.19 -0.30 4.80 4.81 -1.83 0.11 114.58 124.30 1s57 h GLU 102 Ca 0.24 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 1s57 h GLU 102 Cb 0.03 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 1s57 h GLU 102 CO -0.04 0.91 -0.30 0.82 -0.73 0.00 0.00 179.01 179.68 1s57 h ILE 103 N 1.17 1.30 -0.48 2.32 2.04 -0.93 -2.62 117.51 120.31 1s57 h ILE 103 Ca 0.28 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 1s57 h ILE 103 Cb 0.11 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1s57 h ILE 103 CO -0.04 0.47 0.30 0.40 0.00 0.00 0.00 178.15 179.28 1s57 h ILE 104 N 0.49 1.14 -0.80 -0.67 2.04 -0.97 -2.74 117.51 115.99 1s57 h ILE 104 Ca 0.05 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.66 1s57 h ILE 104 Cb 0.87 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1s57 h ILE 104 CO 0.07 0.14 0.52 0.28 0.00 0.00 0.00 178.15 179.17 1s57 h SER 105 N 0.64 0.77 -0.87 1.72 0.02 -0.88 -0.64 113.55 114.31 1s57 h SER 105 Ca 0.17 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1s57 h SER 105 Cb -0.03 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.29 1s57 h SER 105 CO -0.03 0.50 0.55 0.03 -1.14 0.00 0.00 176.83 176.74 1s57 h ARG 106 N 0.88 1.01 0.12 3.45 3.08 -1.15 0.28 114.38 122.06 1s57 h ARG 106 Ca 0.34 -0.06 -0.27 0.00 0.07 0.00 0.00 59.98 60.06 1s57 h ARG 106 Cb 0.21 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1s57 h ARG 106 CO -0.12 0.67 -1.21 0.74 -1.07 0.00 0.00 179.97 178.98 1s57 h PHE 107 N 1.04 0.54 -0.14 3.04 0.04 -1.40 -2.49 116.94 117.57 1s57 h PHE 107 Ca 0.36 -0.38 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1s57 h PHE 107 Cb 0.09 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1s57 h PHE 107 CO -0.02 1.28 0.05 0.93 -0.60 0.00 0.00 178.31 179.94 1s57 h GLU 108 N 0.10 0.22 -0.02 1.51 5.08 -0.73 -2.83 114.58 117.91 1s57 h GLU 108 Ca -0.13 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1s57 h GLU 108 Cb 1.93 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1s57 h GLU 108 CO 0.20 0.33 -0.29 0.87 -1.00 0.00 0.00 179.01 179.12 1s57 h LYS 109 N 0.06 0.03 -0.86 2.33 1.57 -0.53 -2.66 116.57 116.50 1s57 h LYS 109 Ca 0.05 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1s57 h LYS 109 Cb 0.20 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1s57 h LYS 109 CO -0.00 0.32 0.53 -0.22 -0.57 0.00 0.00 179.45 179.50 1s57 h LYS 110 N 0.02 1.17 0.00 3.15 1.63 -1.22 -3.47 116.57 117.85 1s57 h LYS 110 Ca 0.00 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1s57 h LYS 110 Cb 0.53 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1s57 h LYS 110 CO 0.04 0.81 0.00 0.41 -3.45 0.00 0.00 179.45 177.26 1s57 n GLY 111 N -1.24 0.57 3.86 5.01 0.00 -1.00 -5.10 105.19 107.29 1s57 n GLY 111 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1s57 n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s57 s PHE 112 N -1.44 3.37 -0.24 1.61 0.08 -1.18 -5.03 117.98 115.16 1s57 s PHE 112 Ca 0.00 1.19 -0.10 0.00 0.12 0.00 0.00 56.93 58.14 1s57 s PHE 112 Cb 0.00 -2.92 -0.05 0.00 -0.57 0.00 0.00 43.02 39.48 1s57 s PHE 112 CO 0.00 -1.05 0.16 0.21 -0.10 0.00 0.00 175.22 174.44 1s57 s LYS 113 N -5.24 4.07 -0.21 0.44 2.20 -0.62 -4.68 119.74 115.70 1s57 s LYS 113 Ca 0.57 -0.27 -0.28 0.00 -0.36 0.00 0.00 55.97 55.64 1s57 s LYS 113 Cb -0.12 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1s57 s LYS 113 CO 0.53 0.07 0.96 -1.17 -0.36 0.00 0.00 175.35 175.39 1s57 s LEU 114 N 1.03 4.12 0.00 5.43 2.96 -1.26 -0.25 118.68 130.71 1s57 s LEU 114 Ca 0.07 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.27 1s57 s LEU 114 Cb -0.13 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.13 1s57 s LEU 114 CO 0.04 -0.58 0.28 2.30 -1.32 0.00 0.00 176.35 177.07 1s57 n ILE 115 N 5.17 0.00 -3.70 6.68 -5.35 0.01 -4.96 119.36 117.22 1s57 n ILE 115 Ca 0.09 -0.42 -0.11 0.00 -0.27 0.00 0.00 62.75 62.05 1s57 n ILE 115 Cb 0.47 1.11 -0.11 0.00 -1.74 0.00 0.00 39.64 39.37 1s57 n ILE 115 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s57 s GLY 116 N -0.28 -0.34 -0.26 3.28 0.00 -0.89 0.28 107.32 109.12 1s57 s GLY 116 Ca 0.00 1.52 -0.18 0.00 0.00 0.00 0.00 44.72 46.06 1s57 s GLY 116 CO 0.00 1.63 0.65 -2.27 0.00 0.00 0.00 173.10 173.10 1s57 s LEU 117 N 1.26 -0.69 -0.28 0.66 2.96 -1.25 -0.57 118.68 120.76 1s57 s LEU 117 Ca -0.08 1.38 -0.25 0.00 -0.22 0.00 0.00 54.13 54.95 1s57 s LEU 117 Cb -0.08 2.23 0.14 0.00 0.50 0.00 0.00 46.19 48.98 1s57 s LEU 117 CO -0.11 -0.23 1.14 -1.59 -1.32 0.00 0.00 176.35 174.24 1s57 s LYS 118 N 1.12 0.39 0.22 1.98 -2.85 -0.55 -4.99 119.74 115.06 1s57 s LYS 118 Ca -0.06 0.45 -0.27 0.00 -1.00 0.00 0.00 55.97 55.09 1s57 s LYS 118 Cb -0.05 0.19 -0.09 0.00 -2.06 0.00 0.00 37.83 35.82 1s57 s LYS 118 CO -0.11 -0.05 0.85 1.41 0.10 0.00 0.00 175.35 177.56 1s57 s MET 119 N 0.14 4.64 -0.09 1.78 -2.45 -1.26 -0.17 119.30 121.90 1s57 s MET 119 Ca 0.04 1.27 -0.15 0.00 -1.25 0.00 0.00 55.69 55.61 1s57 s MET 119 Cb -0.05 -3.16 0.03 0.00 1.25 0.00 0.00 34.83 32.90 1s57 s MET 119 CO -0.09 0.49 0.37 0.12 1.05 0.00 0.00 175.02 176.96 1s57 s PHE 120 N -1.27 -0.33 -0.38 4.11 5.36 0.94 -4.92 117.98 121.48 1s57 s PHE 120 Ca 0.40 0.72 -0.12 0.00 -0.96 0.00 0.00 56.93 56.97 1s57 s PHE 120 Cb -0.23 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.62 1s57 s PHE 120 CO 0.27 -0.30 0.23 -1.14 -1.46 0.00 0.00 175.22 172.82 1s57 s GLN 121 N -0.50 2.84 -0.12 10.12 2.00 -1.26 -0.40 119.66 132.35 1s57 s GLN 121 Ca -0.06 -1.09 -0.30 0.00 -2.00 0.00 0.00 55.36 51.92 1s57 s GLN 121 Cb -0.04 -3.79 -0.02 0.00 0.80 0.00 0.00 33.01 29.96 1s57 s GLN 121 CO 0.03 -0.72 1.16 0.00 -0.50 0.00 0.00 175.29 175.25 1s57 s PRO 123 N 2.65 3.86 0.32 0.00 0.02 -1.26 -4.67 135.00 135.91 1s57 s PRO 123 Ca 0.53 1.52 0.09 0.00 0.02 0.00 0.00 61.00 63.16 1s57 s PRO 123 Cb -0.21 -2.29 0.89 0.00 0.02 0.00 0.00 34.50 32.90 1s57 s PRO 123 CO 0.17 -0.41 1.71 0.87 -0.33 0.00 0.00 177.00 179.01 1s57 h LYS 124 N 1.93 0.48 -0.11 5.54 1.57 -1.95 -0.93 116.57 123.10 1s57 h LYS 124 Ca -0.49 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.28 1s57 h LYS 124 Cb 1.23 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1s57 h LYS 124 CO 0.60 0.32 0.01 1.49 -0.57 0.00 0.00 179.45 181.30 1s57 h GLU 125 N 0.50 0.05 -0.75 3.15 4.81 -2.00 -1.68 114.58 118.66 1s57 h GLU 125 Ca 0.65 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.81 1s57 h GLU 125 Cb 1.27 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1s57 h GLU 125 CO -0.51 0.03 0.23 1.25 -0.73 0.00 0.00 179.01 179.28 1s57 h LEU 126 N 0.05 1.10 -0.60 1.64 5.85 -1.57 -1.65 115.31 120.12 1s57 h LEU 126 Ca 0.05 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1s57 h LEU 126 Cb 0.05 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1s57 h LEU 126 CO -0.08 1.02 0.39 0.00 -0.34 0.00 0.00 178.44 179.43 1s57 h ALA 127 N 1.12 0.77 -0.22 1.25 0.00 -1.05 -0.33 119.26 120.80 1s57 h ALA 127 Ca 0.24 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 1s57 h ALA 127 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1s57 h ALA 127 CO -0.01 0.17 -0.49 0.93 0.00 0.00 0.00 179.25 179.86 1s57 h GLU 128 N 0.79 0.60 -0.12 0.00 5.08 -1.11 -0.25 114.58 119.57 1s57 h GLU 128 Ca 0.23 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1s57 h GLU 128 Cb -0.07 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1s57 h GLU 128 CO -0.06 0.96 -0.28 1.49 -1.00 0.00 0.00 179.01 180.12 1s57 h GLU 129 N 0.48 0.22 -0.01 2.33 4.57 -0.99 0.53 114.58 121.70 1s57 h GLU 129 Ca 0.02 -0.08 -0.26 0.00 -1.18 0.00 0.00 59.36 57.87 1s57 h GLU 129 Cb 1.03 -0.02 0.02 0.00 -0.16 0.00 0.00 28.75 29.62 1s57 h GLU 129 CO 0.10 0.49 -1.02 1.25 -1.18 0.00 0.00 179.01 178.65 1s57 h HIS 130 N 0.20 0.98 -0.89 0.92 2.76 -0.78 -3.25 115.15 115.09 1s57 h HIS 130 Ca 0.03 -0.53 -0.50 0.00 -2.20 0.00 0.00 60.37 57.17 1s57 h HIS 130 Cb 0.60 -0.11 -0.28 0.00 1.55 0.00 0.00 27.41 29.17 1s57 h HIS 130 CO 0.01 1.36 0.53 0.66 -1.30 0.00 0.00 177.93 179.20 1s57 n TYR 131 N -3.84 2.78 -0.17 5.26 4.01 -0.13 -4.71 117.16 120.36 1s57 n TYR 131 Ca -0.10 -2.09 -0.02 0.00 -0.16 0.00 0.00 57.90 55.53 1s57 n TYR 131 Cb 0.87 -0.97 0.08 0.00 -0.31 0.00 0.00 39.34 39.01 1s57 n TYR 131 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1s57 h LYS 132 N 1.27 0.33 0.00 -0.72 2.10 -0.94 -1.37 116.57 117.24 1s57 h LYS 132 Ca 0.56 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 1s57 h LYS 132 Cb 2.17 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.42 1s57 h LYS 132 CO 1.09 0.22 0.00 -0.25 -2.00 0.00 0.00 179.45 178.51 1s57 n ASP 133 N -5.03 0.00 0.00 7.07 10.43 -1.26 -1.74 116.55 126.02 1s57 n ASP 133 Ca 0.06 -0.62 0.00 0.00 2.57 0.00 0.00 54.79 56.81 1s57 n ASP 133 Cb 0.24 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.20 1s57 n ASP 133 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1s57 n LEU 134 N -0.52 0.47 0.14 0.64 4.77 -0.53 -4.83 117.00 117.14 1s57 n LEU 134 Ca 0.00 -0.47 0.18 0.00 -0.03 0.00 0.00 56.01 55.69 1s57 n LEU 134 Cb 0.00 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 41.87 1s57 n LEU 134 CO 0.00 0.12 1.16 0.77 -1.33 0.00 0.00 177.39 178.11 1s57 h SER 135 N 0.00 0.00 1.38 -1.43 4.64 -1.21 0.47 113.55 117.40 1s57 h SER 135 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s57 h SER 135 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1s57 h SER 135 CO 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 176.83 175.70 1s57 h ALA 136 N 1.68 0.84 -2.29 5.18 0.00 -1.88 -3.47 119.26 119.33 1s57 h ALA 136 Ca 0.14 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.55 1s57 h ALA 136 Cb 0.74 0.00 0.17 0.00 0.00 0.00 0.00 17.79 18.70 1s57 h ALA 136 CO -0.00 0.00 0.25 0.15 0.00 0.00 0.00 179.25 179.65 1s57 s LYS 137 N -3.17 1.40 0.20 0.00 -0.14 0.16 -4.96 119.74 113.22 1s57 s LYS 137 Ca 0.08 1.25 0.17 0.00 -1.36 0.00 0.00 55.97 56.10 1s57 s LYS 137 Cb 0.11 -1.79 -0.01 0.00 -1.68 0.00 0.00 37.83 34.46 1s57 s LYS 137 CO 0.66 -2.27 1.18 0.66 -0.76 0.00 0.00 175.35 174.83 1s57 h SER 138 N -1.59 0.00 0.18 2.83 4.64 -1.91 -3.25 113.55 114.46 1s57 h SER 138 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1s57 h SER 138 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1s57 h SER 138 CO 0.48 0.47 -0.14 2.22 -0.87 0.00 0.00 176.83 178.99 1s57 n PHE 139 N -3.05 0.00 -0.02 4.77 1.16 -1.26 -4.21 117.46 114.85 1s57 n PHE 139 Ca -0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.46 1s57 n PHE 139 Cb 0.75 -0.10 -0.04 0.00 -1.61 0.00 0.00 39.48 38.49 1s57 n PHE 139 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1s57 h PHE 140 N 1.32 -0.07 -0.52 2.97 3.57 -1.79 0.20 116.94 122.62 1s57 h PHE 140 Ca 0.00 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.61 1s57 h PHE 140 Cb 0.45 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.16 1s57 h PHE 140 CO 0.00 -0.06 0.03 -1.35 -2.23 0.00 0.00 178.31 174.70 1s57 h PRO 141 N 0.00 0.15 -0.04 6.41 0.11 -1.81 0.13 132.00 136.93 1s57 h PRO 141 Ca 0.07 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.01 1s57 h PRO 141 Cb 0.10 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1s57 h PRO 141 CO -0.15 0.10 -0.67 -0.91 -0.21 0.00 0.00 178.00 176.16 1s57 h ASN 142 N 0.15 0.24 -0.60 -2.05 2.35 -1.79 -2.50 115.58 111.38 1s57 h ASN 142 Ca 0.27 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1s57 h ASN 142 Cb 0.40 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 1s57 h ASN 142 CO -0.41 0.84 0.39 0.25 -1.65 0.00 0.00 177.43 176.85 1s57 h LEU 143 N 0.14 0.69 -0.28 1.61 5.85 0.85 0.37 115.31 124.54 1s57 h LEU 143 Ca -0.01 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1s57 h LEU 143 Cb 1.20 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1s57 h LEU 143 CO 0.10 0.51 -0.15 0.40 -0.34 0.00 0.00 178.44 178.96 1s57 h ILE 144 N 0.81 1.30 -0.25 4.05 1.08 -0.76 -1.87 117.51 121.87 1s57 h ILE 144 Ca 0.22 -1.25 -0.06 0.00 -0.39 0.00 0.00 64.86 63.37 1s57 h ILE 144 Cb -0.08 1.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1s57 h ILE 144 CO -0.05 0.40 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.37 1s57 h GLU 145 N 0.33 0.41 0.15 2.37 5.08 -1.16 -2.25 114.58 119.51 1s57 h GLU 145 Ca 0.06 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1s57 h GLU 145 Cb 0.67 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1s57 h GLU 145 CO 0.04 0.52 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.59 1s57 h TYR 146 N 0.38 -0.19 0.00 4.33 3.20 -0.08 0.24 116.97 124.86 1s57 h TYR 146 Ca 0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1s57 h TYR 146 Cb 0.43 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1s57 h TYR 146 CO 0.01 0.10 0.00 0.97 -1.64 0.00 0.00 178.16 177.60 1s57 h ILE 147 N -0.47 0.00 -0.27 1.81 2.10 -1.25 -2.61 117.51 116.82 1s57 h ILE 147 Ca -0.02 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.58 1s57 h ILE 147 Cb 0.37 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 1s57 h ILE 147 CO 0.03 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.45 1s57 n THR 148 N -2.55 0.69 1.86 2.19 -2.24 -0.86 -4.51 114.28 108.87 1s57 n THR 148 Ca 0.02 -0.85 0.12 0.00 -2.27 0.00 0.00 64.05 61.07 1s57 n THR 148 Cb 0.26 0.73 0.72 0.00 -2.10 0.00 0.00 70.33 69.94 1s57 n THR 148 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s57 n SER 149 N 0.64 0.00 0.00 3.42 3.41 0.06 -4.89 113.62 116.26 1s57 n SER 149 Ca 0.11 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1s57 n SER 149 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1s57 n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s57 n GLY 150 N 0.78 -0.00 3.78 5.00 0.00 -1.26 -5.08 105.19 108.40 1s57 n GLY 150 Ca 0.18 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 1s57 n GLY 150 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s57 s PRO 151 N -2.00 2.92 0.39 1.61 0.04 -1.26 -4.66 135.00 132.04 1s57 s PRO 151 Ca 0.00 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.43 1s57 s PRO 151 Cb 0.00 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1s57 s PRO 151 CO 0.00 -1.15 0.04 0.14 0.04 0.00 0.00 177.00 176.07 1s57 s VAL 152 N -2.37 1.47 -0.22 -0.36 -7.23 0.46 -4.06 120.40 108.09 1s57 s VAL 152 Ca 0.66 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1s57 s VAL 152 Cb -0.19 -2.76 0.04 0.00 0.56 0.00 0.00 36.38 34.03 1s57 s VAL 152 CO 0.41 0.00 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.36 1s57 s VAL 153 N -2.99 2.10 0.10 1.32 1.01 -0.81 -0.04 120.40 121.10 1s57 s VAL 153 Ca 0.31 -1.31 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 1s57 s VAL 153 Cb 0.08 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.31 1s57 s VAL 153 CO 0.15 0.23 0.65 0.00 0.00 0.00 0.00 175.10 176.13 1s57 s MET 155 N -1.08 0.36 -0.10 0.00 -1.94 0.41 -1.48 119.30 115.47 1s57 s MET 155 Ca 0.32 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.78 1s57 s MET 155 Cb -0.21 0.14 0.02 0.00 2.01 0.00 0.00 34.83 36.79 1s57 s MET 155 CO 0.22 -0.07 -0.09 0.00 -0.01 0.00 0.00 175.02 175.07 1s57 s ALA 156 N -1.39 1.30 0.00 3.03 0.00 0.26 -1.36 121.76 123.61 1s57 s ALA 156 Ca -0.15 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.38 1s57 s ALA 156 Cb -0.09 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1s57 s ALA 156 CO -0.00 -0.26 -0.24 -1.58 0.00 0.00 0.00 175.76 173.68 1s57 s TRP 157 N 1.40 2.39 0.05 0.00 0.52 -0.59 -0.81 118.94 121.90 1s57 s TRP 157 Ca -0.01 -0.38 0.07 0.00 0.02 0.00 0.00 56.10 55.80 1s57 s TRP 157 Cb -0.13 -1.48 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 1s57 s TRP 157 CO -0.05 0.06 -0.17 -2.00 0.02 0.00 0.00 176.95 174.82 1s57 s GLU 158 N -0.89 2.07 0.00 4.98 2.12 0.65 -1.05 118.70 126.59 1s57 s GLU 158 Ca 0.11 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.45 1s57 s GLU 158 Cb -0.10 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 32.08 1s57 s GLU 158 CO 0.01 0.54 0.00 0.41 -0.54 0.00 0.00 175.26 175.67 1s57 n GLY 159 N 1.43 2.22 3.67 -1.50 0.00 -0.42 -1.58 105.19 109.00 1s57 n GLY 159 Ca -0.16 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1s57 n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s57 s VAL 160 N -2.00 4.77 -0.88 1.61 1.01 -1.26 -1.25 120.40 122.40 1s57 s VAL 160 Ca 0.00 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.86 1s57 s VAL 160 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1s57 s VAL 160 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1s57 n GLY 161 N 3.36 1.02 0.22 4.51 0.00 -1.26 -4.91 105.19 108.11 1s57 n GLY 161 Ca 0.09 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.56 1s57 n GLY 161 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s57 h VAL 162 N 0.00 1.16 0.57 1.61 3.04 -1.86 -1.35 116.25 119.41 1s57 h VAL 162 Ca -0.17 -0.75 -0.03 0.00 -1.01 0.00 0.00 66.70 64.74 1s57 h VAL 162 Cb 0.57 1.41 0.01 0.00 -2.01 0.00 0.00 31.29 31.26 1s57 h VAL 162 CO 0.25 0.22 -0.27 0.58 -1.01 0.00 0.00 177.57 177.33 1s57 h VAL 163 N 0.00 0.36 -0.48 1.51 2.07 -1.87 -0.08 116.25 117.77 1s57 h VAL 163 Ca -0.00 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 1s57 h VAL 163 Cb 0.39 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1s57 h VAL 163 CO 0.03 0.04 -0.02 0.00 0.02 0.00 0.00 177.57 177.63 1s57 h ALA 164 N -0.63 1.07 -0.29 1.67 0.00 -1.87 -2.42 119.26 116.78 1s57 h ALA 164 Ca -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1s57 h ALA 164 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1s57 h ALA 164 CO 0.13 0.58 0.09 1.03 0.00 0.00 0.00 179.25 181.08 1s57 h SER 165 N 0.75 0.42 -0.59 0.00 0.87 -1.22 -1.74 113.55 112.04 1s57 h SER 165 Ca 0.14 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1s57 h SER 165 Cb 0.48 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.29 1s57 h SER 165 CO 0.02 0.52 0.36 0.00 -0.53 0.00 0.00 176.83 177.20 1s57 h ALA 166 N 0.92 0.77 -0.52 6.23 0.00 -0.87 0.77 119.26 126.56 1s57 h ALA 166 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1s57 h ALA 166 Cb 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1s57 h ALA 166 CO -0.00 0.09 0.28 0.00 0.00 0.00 0.00 179.25 179.61 1s57 h ARG 167 N 0.71 0.72 -0.25 0.00 3.08 -1.23 -0.50 114.38 116.92 1s57 h ARG 167 Ca 0.24 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 1s57 h ARG 167 Cb 0.03 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1s57 h ARG 167 CO -0.10 0.54 -0.26 -0.22 -1.07 0.00 0.00 179.97 178.86 1s57 h LYS 168 N 0.72 0.61 -0.01 0.04 3.64 -0.33 -2.37 116.57 118.88 1s57 h LYS 168 Ca 0.19 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1s57 h LYS 168 Cb 0.03 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1s57 h LYS 168 CO -0.03 0.92 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.80 1s57 h LEU 169 N 0.32 0.01 0.02 5.20 4.07 -0.34 -3.08 115.31 121.51 1s57 h LEU 169 Ca 0.04 -0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.82 1s57 h LEU 169 Cb 0.82 -0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.57 1s57 h LEU 169 CO 0.06 0.22 -0.70 0.40 -1.08 0.00 0.00 178.44 177.34 1s57 h ILE 170 N 0.01 1.42 0.00 1.22 2.04 -1.02 0.77 117.51 121.94 1s57 h ILE 170 Ca -0.00 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 63.70 1s57 h ILE 170 Cb 0.38 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1s57 h ILE 170 CO 0.03 0.63 0.00 0.61 0.00 0.00 0.00 178.15 179.42 1s57 n GLY 171 N 1.15 0.93 3.65 5.37 0.00 -0.90 -1.10 105.19 114.29 1s57 n GLY 171 Ca -0.11 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 1s57 n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s57 n LYS 172 N 1.19 0.92 -0.29 1.61 5.02 -1.26 -4.89 118.16 120.45 1s57 n LYS 172 Ca 0.00 0.36 0.10 0.00 -2.02 0.00 0.00 58.31 56.75 1s57 n LYS 172 Cb 0.00 -2.28 0.26 0.00 -0.02 0.00 0.00 35.03 32.99 1s57 n LYS 172 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1s57 h THR 173 N 0.42 0.53 -3.58 -0.18 2.02 -1.98 -3.35 112.91 106.78 1s57 h THR 173 Ca -0.49 -0.14 -0.63 0.00 0.77 0.00 0.00 66.41 65.92 1s57 h THR 173 Cb 1.36 0.09 -0.13 0.00 -1.74 0.00 0.00 68.15 67.72 1s57 h THR 173 CO 0.51 0.07 0.26 -0.62 0.37 0.00 0.00 175.52 176.12 1s57 s ASP 174 N -5.24 6.43 0.55 4.18 -1.08 -1.26 -4.53 116.67 115.72 1s57 s ASP 174 Ca -0.12 0.02 0.26 0.00 -0.52 0.00 0.00 52.55 52.19 1s57 s ASP 174 Cb 0.24 -2.36 1.46 0.00 -1.46 0.00 0.00 42.92 40.79 1s57 s ASP 174 CO 0.77 -0.77 2.02 -0.65 0.52 0.00 0.00 175.17 177.07 1s57 h PRO 175 N 8.71 0.00 -0.04 4.34 0.11 -1.81 -0.32 132.00 142.99 1s57 h PRO 175 Ca -0.25 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.79 1s57 h PRO 175 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1s57 h PRO 175 CO 0.90 0.00 -0.31 -0.07 -0.21 0.00 0.00 178.00 178.32 1s57 h LEU 176 N 0.00 0.07 0.00 2.35 3.38 -1.79 -3.08 115.31 116.24 1s57 h LEU 176 Ca 0.19 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 1s57 h LEU 176 Cb 0.84 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1s57 h LEU 176 CO -0.00 0.38 -1.62 0.00 0.09 0.00 0.00 178.44 177.29 1s57 n GLN 177 N -4.15 0.64 -1.67 1.13 1.13 -0.24 -4.93 117.38 109.28 1s57 n GLN 177 Ca -0.02 0.11 -0.41 0.00 -1.94 0.00 0.00 57.00 54.74 1s57 n GLN 177 Cb 0.37 -1.72 0.01 0.00 0.11 0.00 0.00 30.24 29.01 1s57 n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s57 n ALA 178 N -2.41 0.96 -1.79 -1.58 0.00 -0.55 -4.86 120.51 110.28 1s57 n ALA 178 Ca -0.12 0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 1s57 n ALA 178 Cb 0.82 -2.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 1s57 n ALA 178 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s57 s GLU 179 N -2.10 4.30 0.39 0.00 0.41 -1.26 -4.41 118.70 116.03 1s57 s GLU 179 Ca 0.61 1.32 -0.27 0.00 -0.41 0.00 0.00 54.97 56.22 1s57 s GLU 179 Cb -0.53 -2.49 -0.11 0.00 -1.78 0.00 0.00 34.13 29.22 1s57 s GLU 179 CO 0.58 0.02 1.38 -2.30 -0.49 0.00 0.00 175.26 174.45 1s57 n PRO 180 N -0.08 2.32 0.00 0.39 -0.02 -1.26 -1.70 135.00 134.65 1s57 n PRO 180 Ca 0.05 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1s57 n PRO 180 Cb 0.51 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1s57 n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s57 n GLY 181 N 0.63 1.70 3.92 -1.23 0.00 -1.26 -4.96 105.19 103.98 1s57 n GLY 181 Ca 0.04 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1s57 n GLY 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s57 s THR 182 N -1.86 3.55 0.06 2.61 -4.23 -0.69 -4.91 115.64 110.18 1s57 s THR 182 Ca 0.00 -0.11 -0.28 0.00 -1.18 0.00 0.00 61.69 60.12 1s57 s THR 182 Cb 0.00 -3.40 -0.17 0.00 1.34 0.00 0.00 72.50 70.26 1s57 s THR 182 CO 0.00 -0.40 1.59 0.40 -0.54 0.00 0.00 174.62 175.67 1s57 h ILE 183 N -0.13 0.61 -0.10 2.99 2.04 -0.76 -0.59 117.51 121.58 1s57 h ILE 183 Ca -0.45 -0.12 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 1s57 h ILE 183 Cb 1.26 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1s57 h ILE 183 CO 0.60 0.02 -0.47 0.03 0.00 0.00 0.00 178.15 178.33 1s57 h ARG 184 N -0.60 0.25 -0.18 2.37 3.08 -1.37 0.70 114.38 118.63 1s57 h ARG 184 Ca -0.06 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 1s57 h ARG 184 Cb 0.45 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1s57 h ARG 184 CO 0.09 0.68 -0.19 0.78 -1.07 0.00 0.00 179.97 180.25 1s57 h GLY 185 N 1.30 0.34 0.66 0.04 0.00 -1.68 -2.23 103.07 101.50 1s57 h GLY 185 Ca 0.01 -0.24 -0.27 0.00 0.00 0.00 0.00 47.33 46.83 1s57 h GLY 185 CO 0.07 0.22 -1.84 1.22 0.00 0.00 0.00 176.54 176.21 1s57 n ASP 186 N -4.19 0.59 0.00 0.19 8.00 -0.24 -4.54 116.55 116.35 1s57 n ASP 186 Ca -0.01 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1s57 n ASP 186 Cb 0.33 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 1s57 n ASP 186 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s57 n LEU 187 N -2.89 1.28 -4.21 0.64 4.77 0.22 -5.07 117.00 111.75 1s57 n LEU 187 Ca -0.19 -1.28 -0.12 0.00 -0.03 0.00 0.00 56.01 54.39 1s57 n LEU 187 Cb 1.01 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.00 1s57 n LEU 187 CO 0.44 0.32 -0.33 0.00 -1.33 0.00 0.00 177.39 176.49 1s57 s ALA 188 N -0.39 1.19 0.00 -1.18 0.00 -0.84 -4.99 121.76 115.55 1s57 s ALA 188 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1s57 s ALA 188 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.71 1s57 s ALA 188 CO 0.00 -0.36 0.07 1.33 0.00 0.00 0.00 175.76 176.80 1s57 n VAL 189 N -0.19 0.00 -3.83 0.00 0.24 -1.26 -4.53 118.33 108.77 1s57 n VAL 189 Ca -0.07 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.34 61.84 1s57 n VAL 189 Cb 0.63 1.12 -0.11 0.00 -1.47 0.00 0.00 33.84 34.01 1s57 n VAL 189 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1s57 s GLN 190 N -0.39 0.36 0.20 7.34 0.74 -1.26 -4.38 119.66 122.26 1s57 s GLN 190 Ca 0.00 -0.02 -0.11 0.00 0.05 0.00 0.00 55.36 55.29 1s57 s GLN 190 Cb 0.00 0.16 0.23 0.00 1.10 0.00 0.00 33.01 34.50 1s57 s GLN 190 CO 0.00 -0.07 1.75 1.15 -0.55 0.00 0.00 175.29 177.57 1s57 h THR 191 N 4.55 0.82 0.00 -0.34 2.02 -1.93 -1.49 112.91 116.54 1s57 h THR 191 Ca -0.28 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1s57 h THR 191 Cb 1.19 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1s57 h THR 191 CO 0.39 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.97 1s57 n GLY 192 N -1.28 -1.09 2.34 2.16 0.00 -1.26 -3.16 105.19 102.90 1s57 n GLY 192 Ca 0.07 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1s57 n GLY 192 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s57 n ARG 193 N -1.98 1.43 -1.21 1.61 5.12 -0.59 -4.95 116.66 116.09 1s57 n ARG 193 Ca 0.02 -3.69 -0.27 0.00 -1.93 0.00 0.00 57.85 51.98 1s57 n ARG 193 Cb 0.17 -1.77 0.14 0.00 -1.16 0.00 0.00 32.46 29.84 1s57 n ARG 193 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1s57 n ASN 194 N 0.33 5.15 0.00 0.55 6.94 -1.03 -4.33 115.26 122.87 1s57 n ASN 194 Ca 0.26 -3.60 0.00 0.00 -0.02 0.00 0.00 54.58 51.22 1s57 n ASN 194 Cb 0.58 -0.88 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 1s57 n ASN 194 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1s57 n ILE 195 N -0.97 0.00 -3.83 1.53 -5.35 -1.26 -4.76 119.36 104.72 1s57 n ILE 195 Ca 0.58 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.97 1s57 n ILE 195 Cb 1.26 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 39.09 1s57 n ILE 195 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1s57 s VAL 196 N 0.00 0.13 0.02 7.28 0.11 -1.26 -0.57 120.40 126.10 1s57 s VAL 196 Ca 0.00 -1.09 0.02 0.00 -2.93 0.00 0.00 61.98 57.97 1s57 s VAL 196 Cb 0.00 -1.28 -0.01 0.00 -1.53 0.00 0.00 36.38 33.56 1s57 s VAL 196 CO 0.00 -0.60 -0.06 -2.28 -3.33 0.00 0.00 175.10 168.83 1s57 s HIS 197 N -3.71 0.52 0.00 1.54 2.46 -0.20 -4.91 115.29 110.98 1s57 s HIS 197 Ca 0.04 -0.27 0.01 0.00 0.47 0.00 0.00 55.06 55.31 1s57 s HIS 197 Cb 0.04 -0.32 -0.01 0.00 -0.13 0.00 0.00 32.58 32.16 1s57 s HIS 197 CO -0.10 -0.05 -0.03 0.20 -2.47 0.00 0.00 174.74 172.29 1s57 s GLY 198 N -0.76 0.18 0.35 1.59 0.00 -1.26 -0.92 107.32 106.50 1s57 s GLY 198 Ca -0.04 -0.21 -0.27 0.00 0.00 0.00 0.00 44.72 44.20 1s57 s GLY 198 CO 0.00 -0.20 1.10 1.44 0.00 0.00 0.00 173.10 175.43 1s57 n SER 199 N 2.79 1.74 -0.04 1.64 7.64 -0.56 -4.90 113.62 121.92 1s57 n SER 199 Ca -0.14 1.14 0.13 0.00 1.01 0.00 0.00 58.87 61.01 1s57 n SER 199 Cb 0.58 -1.37 0.35 0.00 -1.01 0.00 0.00 64.21 62.77 1s57 n SER 199 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1s57 n ASP 200 N 0.85 0.49 -3.57 6.43 5.68 -1.26 -4.77 116.55 120.40 1s57 n ASP 200 Ca 0.08 -0.25 -0.12 0.00 -0.50 0.00 0.00 54.79 54.00 1s57 n ASP 200 Cb 0.36 0.09 -0.05 0.00 -1.14 0.00 0.00 41.12 40.39 1s57 n ASP 200 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1s57 s SER 201 N -2.89 -0.38 0.38 -1.12 1.04 -1.26 -4.95 113.70 104.52 1s57 s SER 201 Ca 0.15 -0.04 0.08 0.00 0.48 0.00 0.00 55.95 56.62 1s57 s SER 201 Cb 0.18 0.50 0.83 0.00 0.10 0.00 0.00 66.02 67.64 1s57 s SER 201 CO 0.63 -0.81 1.96 -0.65 0.98 0.00 0.00 173.24 175.36 1s57 h PRO 202 N 2.52 0.62 -0.26 4.02 0.11 -1.91 0.26 132.00 137.36 1s57 h PRO 202 Ca -0.33 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 1s57 h PRO 202 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1s57 h PRO 202 CO 0.43 0.41 -0.07 1.05 -0.21 0.00 0.00 178.00 179.61 1s57 h GLU 203 N 0.64 0.50 0.00 1.05 4.11 -1.96 -2.15 114.58 116.77 1s57 h GLU 203 Ca 0.31 -0.19 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 1s57 h GLU 203 Cb 0.37 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1s57 h GLU 203 CO -0.10 0.72 -0.03 -0.91 0.07 0.00 0.00 179.01 178.76 1s57 h ASN 204 N 0.24 0.00 0.22 3.06 2.35 -1.76 -1.37 115.58 118.33 1s57 h ASN 204 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1s57 h ASN 204 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1s57 h ASN 204 CO 0.03 0.03 -0.11 1.23 -1.65 0.00 0.00 177.43 176.96 1s57 h GLY 205 N 2.11 -0.31 1.01 2.83 0.00 -0.03 0.15 103.07 108.83 1s57 h GLY 205 Ca -0.00 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1s57 h GLY 205 CO 0.00 -0.11 0.39 0.50 0.00 0.00 0.00 176.54 177.32 1s57 h LYS 206 N -0.54 0.99 0.37 4.80 1.57 -1.12 -1.56 116.57 121.09 1s57 h LYS 206 Ca -0.03 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1s57 h LYS 206 Cb 0.40 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1s57 h LYS 206 CO 0.05 0.75 -0.18 -0.09 -0.57 0.00 0.00 179.45 179.41 1s57 h ARG 207 N 0.98 -0.48 -0.63 3.15 2.43 -1.14 -1.81 114.38 116.88 1s57 h ARG 207 Ca 0.25 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1s57 h ARG 207 Cb 0.04 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 1s57 h ARG 207 CO -0.04 -0.29 0.23 0.93 -1.51 0.00 0.00 179.97 179.29 1s57 h GLU 208 N -0.54 0.96 -0.90 0.20 5.08 -0.61 -1.06 114.58 117.71 1s57 h GLU 208 Ca -0.05 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1s57 h GLU 208 Cb 0.41 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1s57 h GLU 208 CO 0.08 0.82 0.48 0.82 -1.00 0.00 0.00 179.01 180.22 1s57 h ILE 209 N 0.89 1.26 0.00 3.13 2.04 -1.28 -0.16 117.51 123.40 1s57 h ILE 209 Ca 0.21 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 1s57 h ILE 209 Cb 0.24 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1s57 h ILE 209 CO -0.01 0.30 -0.32 1.23 0.00 0.00 0.00 178.15 179.35 1s57 h GLY 210 N 1.26 0.00 1.02 5.37 0.00 -0.91 -0.46 103.07 109.35 1s57 h GLY 210 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.33 1s57 h GLY 210 CO -0.05 0.00 -1.43 -2.00 0.00 0.00 0.00 176.54 173.07 1s57 h LEU 211 N 0.00 0.70 0.07 3.11 5.85 -0.40 -3.39 115.31 121.25 1s57 h LEU 211 Ca -0.00 -0.93 -0.31 0.00 0.84 0.00 0.00 57.88 57.48 1s57 h LEU 211 Cb 0.71 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1s57 h LEU 211 CO 0.04 1.67 -1.68 -0.50 -0.34 0.00 0.00 178.44 177.64 1s57 h TRP 212 N 0.01 0.28 -3.01 1.25 4.06 -1.05 -3.46 115.95 114.03 1s57 h TRP 212 Ca -0.26 -0.20 -0.63 0.00 2.06 0.00 0.00 58.89 59.86 1s57 h TRP 212 Cb 2.03 -0.01 -0.10 0.00 -1.00 0.00 0.00 29.16 30.09 1s57 h TRP 212 CO 0.14 1.33 -0.47 -0.06 -3.56 0.00 0.00 178.44 175.81 1s57 s PHE 213 N -2.60 3.50 0.84 0.49 0.40 -0.19 -5.10 117.98 115.32 1s57 s PHE 213 Ca -0.10 0.45 -0.12 0.00 -0.60 0.00 0.00 56.93 56.56 1s57 s PHE 213 Cb 0.07 -2.09 0.12 0.00 0.51 0.00 0.00 43.02 41.64 1s57 s PHE 213 CO 0.82 0.48 1.19 0.15 0.70 0.00 0.00 175.22 178.56 1s57 s LYS 214 N -0.24 1.52 0.03 0.44 1.02 -1.26 -4.62 119.74 116.64 1s57 s LYS 214 Ca 0.12 -0.22 -0.30 0.00 0.02 0.00 0.00 55.97 55.59 1s57 s LYS 214 Cb -0.12 -1.98 -0.08 0.00 -0.52 0.00 0.00 37.83 35.14 1s57 s LYS 214 CO 0.01 -1.81 1.70 -1.21 -0.92 0.00 0.00 175.35 173.13 1s57 s GLU 215 N -5.60 4.18 0.00 1.68 0.41 -1.26 -2.35 118.70 115.76 1s57 s GLU 215 Ca 0.66 2.34 0.00 0.00 -0.41 0.00 0.00 54.97 57.56 1s57 s GLU 215 Cb -0.08 -3.79 0.00 0.00 -1.78 0.00 0.00 34.13 28.48 1s57 s GLU 215 CO 0.49 -0.80 0.00 0.41 -0.49 0.00 0.00 175.26 174.87 1s57 n GLY 216 N 4.12 0.75 0.13 -1.39 0.00 -1.26 -4.93 105.19 102.61 1s57 n GLY 216 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1s57 n GLY 216 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s57 h GLU 217 N 4.03 0.00 -6.86 1.61 5.08 -1.84 -3.45 114.58 113.15 1s57 h GLU 217 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1s57 h GLU 217 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1s57 h GLU 217 CO 0.00 0.54 0.42 -0.51 -1.00 0.00 0.00 179.01 178.46 1s57 s LEU 218 N -6.42 4.39 -0.21 1.33 1.43 -1.26 -4.74 118.68 113.20 1s57 s LEU 218 Ca 0.03 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1s57 s LEU 218 Cb 0.08 -3.87 0.03 0.00 0.03 0.00 0.00 46.19 42.46 1s57 s LEU 218 CO 0.76 -0.22 -0.15 0.00 0.23 0.00 0.00 176.35 176.98 1s57 s LYS 220 N 1.28 3.99 0.15 0.00 -0.14 -1.26 -4.55 119.74 119.22 1s57 s LYS 220 Ca 0.02 0.48 -0.21 0.00 -1.36 0.00 0.00 55.97 54.90 1s57 s LYS 220 Cb -0.15 -3.24 0.06 0.00 -1.68 0.00 0.00 37.83 32.82 1s57 s LYS 220 CO -0.09 0.65 0.54 1.67 -0.76 0.00 0.00 175.35 177.36 1s57 s TRP 221 N -0.99 -0.43 -0.31 3.18 1.48 -1.26 -5.14 118.94 115.47 1s57 s TRP 221 Ca 0.25 0.19 -0.11 0.00 -1.06 0.00 0.00 56.10 55.36 1s57 s TRP 221 Cb -0.17 0.47 -0.03 0.00 -1.16 0.00 0.00 33.47 32.58 1s57 s TRP 221 CO 0.14 -0.80 0.20 -0.51 -4.06 0.00 0.00 176.95 171.92 1s57 s ASP 222 N -2.77 5.90 0.03 -2.66 1.01 -1.26 -5.06 116.67 111.86 1s57 s ASP 222 Ca 0.02 -0.29 -0.30 0.00 0.71 0.00 0.00 52.55 52.68 1s57 s ASP 222 Cb -0.00 -2.09 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 1s57 s ASP 222 CO -0.13 -0.15 1.17 -0.55 0.21 0.00 0.00 175.17 175.72 1s57 s SER 223 N 1.71 7.11 0.45 0.27 0.15 -1.26 -4.93 113.70 117.19 1s57 s SER 223 Ca 0.06 1.94 0.13 0.00 0.70 0.00 0.00 55.95 58.78 1s57 s SER 223 Cb -0.17 -2.57 1.05 0.00 -1.71 0.00 0.00 66.02 62.61 1s57 s SER 223 CO 0.09 -0.46 2.04 0.00 1.20 0.00 0.00 173.24 176.11 1s57 h ALA 224 N 6.92 1.95 -0.46 5.45 0.00 -2.06 -1.54 119.26 129.51 1s57 h ALA 224 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1s57 h ALA 224 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1s57 h ALA 224 CO 0.82 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 181.32 1s57 n LEU 225 N -4.48 2.60 -0.23 0.00 4.77 -1.26 -4.53 117.00 113.87 1s57 n LEU 225 Ca 0.05 -1.27 0.02 0.00 -0.03 0.00 0.00 56.01 54.78 1s57 n LEU 225 Cb 0.24 -0.31 0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1s57 n LEU 225 CO 0.35 0.64 0.79 0.00 -1.33 0.00 0.00 177.39 177.83 1s57 h ALA 226 N 3.94 0.59 0.00 -1.18 0.00 -1.67 0.30 119.26 121.25 1s57 h ALA 226 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1s57 h ALA 226 Cb 0.66 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1s57 h ALA 226 CO 0.00 -0.42 0.00 -2.37 0.00 0.00 0.00 179.25 176.46 1s57 n THR 227 N -5.37 1.20 0.80 0.00 5.66 -1.26 -2.01 114.28 113.30 1s57 n THR 227 Ca 0.10 0.33 0.09 0.00 -3.05 0.00 0.00 64.05 61.51 1s57 n THR 227 Cb 0.39 -1.17 -0.04 0.00 -1.55 0.00 0.00 70.33 67.96 1s57 n THR 227 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1s57 n TRP 228 N -1.64 0.00 -0.07 1.09 7.02 0.10 -4.39 117.44 119.55 1s57 n TRP 228 Ca 0.02 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.45 1s57 n TRP 228 Cb 0.13 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.88 1s57 n TRP 228 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1s57 n LEU 229 N -0.61 0.00 -3.85 -0.99 7.99 -0.84 -4.99 117.00 113.70 1s57 n LEU 229 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.94 1s57 n LEU 229 Cb 0.33 0.37 -0.12 0.00 -0.11 0.00 0.00 43.42 43.89 1s57 n LEU 229 CO 0.27 0.37 -0.24 -0.13 -1.51 0.00 0.00 177.39 176.15 1s57 s ARG 230 N -2.58 0.22 0.00 3.23 0.52 -0.85 -5.12 118.95 114.37 1s57 s ARG 230 Ca -0.09 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 1s57 s ARG 230 Cb 0.06 0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.63 1s57 s ARG 230 CO 0.74 -0.04 0.28 0.39 0.02 0.00 0.00 175.30 176.69