#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i86 s SER 108 N 0.00 6.06 0.00 1.61 0.15 -1.26 -4.83 113.70 115.42 3i86 s SER 108 Ca 0.00 0.33 0.14 0.00 0.70 0.00 0.00 55.95 57.13 3i86 s SER 108 Cb 0.00 -1.87 0.62 0.00 -1.71 0.00 0.00 66.02 63.05 3i86 s SER 108 CO 0.00 0.35 1.46 0.52 1.20 0.00 0.00 173.24 176.77 3i86 n VAL 109 N 1.66 1.00 -0.02 4.45 0.31 -1.26 -2.44 118.33 122.02 3i86 n VAL 109 Ca -0.17 0.25 0.02 0.00 -0.01 0.00 0.00 64.34 64.43 3i86 n VAL 109 Cb 0.54 -1.00 0.05 0.00 -0.91 0.00 0.00 33.84 32.51 3i86 n VAL 109 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3i86 n TYR 110 N -1.50 0.13 -0.30 3.52 4.01 -1.26 -4.78 117.16 116.99 3i86 n TYR 110 Ca 0.04 -0.41 -0.05 0.00 -0.16 0.00 0.00 57.90 57.31 3i86 n TYR 110 Cb 0.17 -0.03 0.07 0.00 -0.31 0.00 0.00 39.34 39.23 3i86 n TYR 110 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3i86 h GLY 111 N 0.71 1.24 1.15 2.72 0.00 -1.87 -0.58 103.07 106.44 3i86 h GLY 111 Ca 0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.62 3i86 h GLY 111 CO 0.00 0.57 -0.10 -0.09 0.00 0.00 0.00 176.54 176.92 3i86 h ARG 112 N 1.15 0.99 -0.31 4.80 1.12 -1.86 -0.20 114.38 120.08 3i86 h ARG 112 Ca 0.28 -0.36 -0.10 0.00 -1.11 0.00 0.00 59.98 58.69 3i86 h ARG 112 Cb 0.08 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.96 3i86 h ARG 112 CO -0.04 1.04 -0.24 1.96 -3.11 0.00 0.00 179.97 179.57 3i86 h GLN 113 N 0.89 0.61 -0.52 0.20 7.50 -1.82 -0.88 115.11 121.08 3i86 h GLN 113 Ca 0.14 -0.24 -0.11 0.00 0.50 0.00 0.00 58.65 58.94 3i86 h GLN 113 Cb 0.66 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.14 3i86 h GLN 113 CO 0.05 0.80 -0.12 0.00 -1.50 0.00 0.00 178.83 178.05 3i86 h ALA 114 N 1.20 0.80 -0.51 3.87 0.00 -0.68 -1.65 119.26 122.30 3i86 h ALA 114 Ca 0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3i86 h ALA 114 Cb 0.70 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3i86 h ALA 114 CO 0.05 0.66 0.15 0.82 0.00 0.00 0.00 179.25 180.94 3i86 h ILE 115 N 0.87 1.23 -0.75 0.00 1.08 -0.82 -1.21 117.51 117.91 3i86 h ILE 115 Ca 0.13 -0.80 0.05 0.00 -0.39 0.00 0.00 64.86 63.85 3i86 h ILE 115 Cb 0.68 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 3i86 h ILE 115 CO 0.05 0.29 0.49 -0.33 -0.69 0.00 0.00 178.15 177.97 3i86 h GLU 116 N 0.71 0.83 -0.31 2.37 4.39 -0.93 -0.84 114.58 120.81 3i86 h GLU 116 Ca 0.16 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.63 3i86 h GLU 116 Cb 0.29 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3i86 h GLU 116 CO -0.00 0.55 -0.52 -0.92 -1.16 0.00 0.00 179.01 176.96 3i86 h TYR 117 N 0.86 1.11 0.69 4.33 3.20 -0.88 -1.86 116.97 124.42 3i86 h TYR 117 Ca 0.31 -0.39 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 3i86 h TYR 117 Cb 0.15 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 3i86 h TYR 117 CO -0.00 1.22 -0.41 0.28 -1.64 0.00 0.00 178.16 177.61 3i86 h VAL 118 N 0.69 0.17 -1.00 1.81 2.07 -0.88 0.62 116.25 119.73 3i86 h VAL 118 Ca 0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.70 3i86 h VAL 118 Cb 1.13 0.17 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 3i86 h VAL 118 CO 0.12 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.72 3i86 h ILE 119 N -1.03 0.80 -0.43 4.57 2.04 -1.16 0.18 117.51 122.47 3i86 h ILE 119 Ca -0.09 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 3i86 h ILE 119 Cb 0.83 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3i86 h ILE 119 CO 0.10 0.16 -0.01 0.50 0.00 0.00 0.00 178.15 178.90 3i86 h LYS 120 N 0.86 0.77 -0.39 2.37 1.63 -1.24 -1.22 116.57 119.35 3i86 h LYS 120 Ca 0.54 -0.25 -0.00 0.00 -0.85 0.00 0.00 60.65 60.08 3i86 h LYS 120 Cb 0.70 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 3i86 h LYS 120 CO -0.33 0.85 0.23 -0.09 -3.45 0.00 0.00 179.45 176.66 3i86 h ARG 121 N 0.61 0.53 -0.56 1.90 2.43 0.10 -2.30 114.38 117.10 3i86 h ARG 121 Ca 0.12 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3i86 h ARG 121 Cb 0.51 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3i86 h ARG 121 CO 0.02 0.41 0.07 0.52 -1.51 0.00 0.00 179.97 179.48 3i86 h MET 122 N 0.51 0.94 -0.29 0.20 2.86 -0.74 -2.49 114.93 115.91 3i86 h MET 122 Ca 0.14 -0.26 0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3i86 h MET 122 Cb 0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3i86 h MET 122 CO -0.02 0.91 0.37 0.78 1.06 0.00 0.00 176.91 180.01 3i86 h GLY 123 N 0.83 0.00 1.74 8.32 0.00 -0.91 -0.08 103.07 112.96 3i86 h GLY 123 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3i86 h GLY 123 CO 0.01 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 3i86 n SER 124 N -3.58 0.00 -1.71 0.19 3.41 -0.89 -1.92 113.62 109.12 3i86 n SER 124 Ca 0.04 0.14 0.08 0.00 -0.26 0.00 0.00 58.87 58.87 3i86 n SER 124 Cb 0.51 -0.37 0.38 0.00 -0.26 0.00 0.00 64.21 64.47 3i86 n SER 124 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i86 n GLN 125 N -1.37 4.37 -1.70 4.33 1.13 -0.04 -5.00 117.38 119.09 3i86 n GLN 125 Ca 0.10 -3.05 -0.42 0.00 -1.94 0.00 0.00 57.00 51.69 3i86 n GLN 125 Cb 0.25 -2.11 -0.03 0.00 0.11 0.00 0.00 30.24 28.46 3i86 n GLN 125 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 3i86 s MET 126 N -2.47 4.13 0.00 -1.09 1.75 -0.81 -1.11 119.30 119.71 3i86 s MET 126 Ca 0.52 2.61 0.00 0.00 -1.25 0.00 0.00 55.69 57.57 3i86 s MET 126 Cb 0.38 -3.59 0.00 0.00 2.84 0.00 0.00 34.83 34.46 3i86 s MET 126 CO 0.18 -0.85 0.00 0.41 -0.65 0.00 0.00 175.02 174.11 3i86 n GLY 127 N 4.24 1.36 3.73 2.11 0.00 0.04 -4.96 105.19 111.71 3i86 n GLY 127 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3i86 n GLY 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i86 n VAL 128 N -2.00 0.63 -1.87 1.61 0.31 -0.26 -4.64 118.33 112.11 3i86 n VAL 128 Ca 0.00 -0.16 -0.40 0.00 -0.01 0.00 0.00 64.34 63.78 3i86 n VAL 128 Cb 0.00 -1.91 0.01 0.00 -0.91 0.00 0.00 33.84 31.03 3i86 n VAL 128 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3i86 s PRO 129 N 0.13 3.78 0.26 5.55 0.02 -1.26 -0.77 135.00 142.71 3i86 s PRO 129 Ca 0.69 2.35 -0.30 0.00 0.02 0.00 0.00 61.00 63.76 3i86 s PRO 129 Cb -0.52 -2.70 -0.09 0.00 0.02 0.00 0.00 34.50 31.21 3i86 s PRO 129 CO 0.43 -0.72 1.27 -0.47 -0.33 0.00 0.00 177.00 177.18 3i86 s TYR 130 N -1.22 3.24 -0.10 6.54 5.04 0.32 -2.57 117.35 128.61 3i86 s TYR 130 Ca 0.60 1.37 -0.03 0.00 -2.44 0.00 0.00 57.07 56.56 3i86 s TYR 130 Cb -0.42 -3.58 0.04 0.00 0.35 0.00 0.00 41.96 38.35 3i86 s TYR 130 CO 0.54 -1.65 0.07 0.45 -1.34 0.00 0.00 175.55 173.62 3i86 s SER 131 N -0.17 1.76 -0.09 4.32 0.15 0.53 -4.78 113.70 115.43 3i86 s SER 131 Ca 0.52 -0.26 -0.35 0.00 0.70 0.00 0.00 55.95 56.56 3i86 s SER 131 Cb -0.37 -0.23 -0.12 0.00 -1.71 0.00 0.00 66.02 63.59 3i86 s SER 131 CO 0.44 -0.29 1.84 1.87 1.20 0.00 0.00 173.24 178.30 3i86 n TRP 132 N 5.27 2.29 -1.12 3.44 -0.00 -1.26 0.32 117.44 126.37 3i86 n TRP 132 Ca -0.05 0.08 -0.04 0.00 -0.00 0.00 0.00 57.50 57.48 3i86 n TRP 132 Cb 0.49 -2.63 -0.02 0.00 -0.00 0.00 0.00 31.31 29.16 3i86 n TRP 132 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3i86 n GLY 133 N 4.29 0.67 3.88 5.87 0.00 -1.26 -0.97 105.19 117.66 3i86 n GLY 133 Ca 0.23 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 3i86 n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i86 s GLY 134 N -2.47 2.19 0.00 -0.02 0.00 0.15 -4.47 107.32 102.70 3i86 s GLY 134 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.43 3i86 s GLY 134 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.56 3i86 n GLY 135 N -0.38 3.77 3.54 0.20 0.00 -0.92 -1.97 105.19 109.43 3i86 n GLY 135 Ca 0.01 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 3i86 n GLY 135 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i86 n SER 136 N 0.00 2.88 0.28 1.61 3.41 -0.21 -4.77 113.62 116.82 3i86 n SER 136 Ca 0.00 -3.19 0.18 0.00 -0.26 0.00 0.00 58.87 55.59 3i86 n SER 136 Cb 0.00 0.51 0.71 0.00 -0.26 0.00 0.00 64.21 65.17 3i86 n SER 136 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i86 h LEU 137 N 0.00 0.00 0.00 1.04 4.07 -1.92 -3.19 115.31 115.31 3i86 h LEU 137 Ca -0.39 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.48 3i86 h LEU 137 Cb 1.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.98 3i86 h LEU 137 CO 0.65 0.00 -1.46 0.47 -1.08 0.00 0.00 178.44 177.02 3i86 n ASP 138 N -3.08 0.61 0.00 -0.43 8.00 -1.26 -4.81 116.55 115.58 3i86 n ASP 138 Ca 0.00 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.75 3i86 n ASP 138 Cb 0.29 0.73 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 3i86 n ASP 138 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i86 n GLY 139 N 1.31 -1.59 3.65 0.44 0.00 -1.20 -5.14 105.19 102.66 3i86 n GLY 139 Ca -0.06 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 3i86 n GLY 139 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i86 n PRO 140 N -0.27 0.20 -3.87 1.61 -0.02 -1.26 -1.05 135.00 130.34 3i86 n PRO 140 Ca 0.00 0.14 -0.09 0.00 -2.02 0.00 0.00 63.50 61.53 3i86 n PRO 140 Cb 0.00 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.10 3i86 n PRO 140 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3i86 s SER 141 N -2.01 -0.16 0.59 2.55 1.04 -0.83 -4.60 113.70 110.27 3i86 s SER 141 Ca 0.72 -0.70 -0.19 0.00 0.48 0.00 0.00 55.95 56.26 3i86 s SER 141 Cb -0.30 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 3i86 s SER 141 CO 0.52 -1.09 1.24 -0.54 0.98 0.00 0.00 173.24 174.35 3i86 s LYS 142 N -3.94 2.96 0.00 4.02 1.02 -1.25 -1.24 119.74 121.31 3i86 s LYS 142 Ca 0.15 1.92 0.00 0.00 0.02 0.00 0.00 55.97 58.06 3i86 s LYS 142 Cb -0.01 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 3i86 s LYS 142 CO 0.03 -1.24 0.00 0.41 -0.92 0.00 0.00 175.35 173.63 3i86 n GLY 143 N 0.61 1.86 3.34 -3.33 0.00 0.38 -4.45 105.19 103.60 3i86 n GLY 143 Ca 0.13 -1.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 3i86 n GLY 143 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i86 s VAL 144 N 2.69 0.31 0.00 1.61 -7.23 -0.15 -3.68 120.40 113.95 3i86 s VAL 144 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3i86 s VAL 144 Cb 0.00 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.44 3i86 s VAL 144 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 3i86 n GLY 145 N -0.60 3.10 0.14 2.32 0.00 -1.26 -0.80 105.19 108.09 3i86 n GLY 145 Ca 0.01 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3i86 n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i86 n ASP 146 N 1.69 0.63 0.04 1.61 5.68 -1.26 -1.60 116.55 123.35 3i86 n ASP 146 Ca 0.00 0.69 0.05 0.00 -0.50 0.00 0.00 54.79 55.04 3i86 n ASP 146 Cb 0.00 -0.81 0.24 0.00 -1.14 0.00 0.00 41.12 39.41 3i86 n ASP 146 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i86 n GLY 147 N -0.39 -0.81 0.27 6.12 0.00 0.02 -3.27 105.19 107.13 3i86 n GLY 147 Ca 0.01 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3i86 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i86 h ALA 148 N 2.20 1.65 -0.13 4.61 0.00 -1.37 0.14 119.26 126.36 3i86 h ALA 148 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i86 h ALA 148 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i86 h ALA 148 CO 0.00 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.40 3i86 n ASN 149 N -4.08 3.03 -4.12 0.00 3.02 -1.20 -4.65 115.26 107.25 3i86 n ASN 149 Ca -0.03 -1.97 -0.33 0.00 -0.03 0.00 0.00 54.58 52.22 3i86 n ASN 149 Cb 0.13 -0.07 -0.16 0.00 -0.61 0.00 0.00 39.78 39.08 3i86 n ASN 149 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i86 s ILE 150 N -1.87 2.18 -0.64 2.41 1.01 -0.59 -5.06 121.20 118.64 3i86 s ILE 150 Ca 0.31 -1.05 -0.28 0.00 0.00 0.00 0.00 60.65 59.64 3i86 s ILE 150 Cb 0.21 -1.99 0.03 0.00 0.01 0.00 0.00 42.46 40.71 3i86 s ILE 150 CO 0.31 0.42 1.26 -0.89 0.00 0.00 0.00 174.94 176.03 3i86 s THR 151 N 1.27 3.87 0.00 2.92 2.01 -1.26 -2.87 115.64 121.58 3i86 s THR 151 Ca 0.02 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.70 3i86 s THR 151 Cb -0.14 -4.77 0.00 0.00 0.01 0.00 0.00 72.50 67.60 3i86 s THR 151 CO -0.11 -1.53 0.00 0.61 -0.69 0.00 0.00 174.62 172.91 3i86 n GLY 152 N 5.21 2.68 3.05 4.40 0.00 -0.37 -4.50 105.19 115.66 3i86 n GLY 152 Ca 0.07 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 3i86 n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i86 s PHE 153 N -0.54 0.75 0.60 1.61 0.08 -1.06 -1.97 117.98 117.44 3i86 s PHE 153 Ca 0.00 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.75 3i86 s PHE 153 Cb 0.00 -0.45 0.08 0.00 -0.57 0.00 0.00 43.02 42.08 3i86 s PHE 153 CO 0.00 -0.03 0.83 0.16 -0.10 0.00 0.00 175.22 176.08 3i86 s ASP 154 N -1.07 4.94 0.14 1.36 -4.77 -0.83 -0.34 116.67 116.09 3i86 s ASP 154 Ca -0.04 -0.53 -0.20 0.00 -3.30 0.00 0.00 52.55 48.48 3i86 s ASP 154 Cb -0.07 -0.07 -0.00 0.00 -1.09 0.00 0.00 42.92 41.68 3i86 s ASP 154 CO 0.00 -1.42 1.69 0.00 0.70 0.00 0.00 175.17 176.15 3i86 h SER 156 N -0.04 0.00 -0.04 0.00 4.64 -1.85 -2.71 113.55 113.54 3i86 h SER 156 Ca 0.11 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3i86 h SER 156 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3i86 h SER 156 CO -0.25 0.54 -0.03 1.23 -0.87 0.00 0.00 176.83 177.45 3i86 h GLY 157 N 2.21 0.01 0.73 -0.77 0.00 -1.53 -2.27 103.07 101.45 3i86 h GLY 157 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3i86 h GLY 157 CO 0.07 -0.04 -0.46 -2.00 0.00 0.00 0.00 176.54 174.12 3i86 h LEU 158 N -0.03 -1.19 -0.83 3.11 5.85 -0.94 -1.23 115.31 120.05 3i86 h LEU 158 Ca 0.03 0.08 0.20 0.00 0.84 0.00 0.00 57.88 59.03 3i86 h LEU 158 Cb 0.07 0.36 -0.13 0.00 0.37 0.00 0.00 40.66 41.34 3i86 h LEU 158 CO -0.06 -0.67 0.24 0.24 -0.34 0.00 0.00 178.44 177.84 3i86 h MET 159 N -1.06 0.26 -0.45 1.25 2.86 -1.53 -1.14 114.93 115.12 3i86 h MET 159 Ca -0.08 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 3i86 h MET 159 Cb 0.87 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3i86 h MET 159 CO 0.04 0.17 -0.18 -0.09 1.06 0.00 0.00 176.91 177.92 3i86 h ARG 160 N 0.27 0.92 -0.63 1.72 2.43 -1.16 -2.74 114.38 115.20 3i86 h ARG 160 Ca 0.50 -0.39 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3i86 h ARG 160 Cb 0.93 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 3i86 h ARG 160 CO -0.58 1.04 0.31 -0.92 -1.51 0.00 0.00 179.97 178.32 3i86 h TYR 161 N 0.76 0.88 0.05 2.20 3.20 -0.04 -2.51 116.97 121.52 3i86 h TYR 161 Ca 0.11 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3i86 h TYR 161 Cb 0.74 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3i86 h TYR 161 CO 0.05 0.64 -0.02 0.78 -1.64 0.00 0.00 178.16 177.97 3i86 h GLY 162 N 0.97 -0.07 2.00 1.82 0.00 -1.13 -3.20 103.07 103.46 3i86 h GLY 162 Ca 0.22 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 3i86 h GLY 162 CO -0.03 -0.03 -0.10 0.74 0.00 0.00 0.00 176.54 177.12 3i86 h PHE 163 N -0.63 0.00 0.00 5.60 0.04 -1.48 -1.14 116.94 119.33 3i86 h PHE 163 Ca -0.01 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3i86 h PHE 163 Cb 0.55 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.69 3i86 h PHE 163 CO 0.11 0.10 -0.16 0.00 -0.60 0.00 0.00 178.31 177.76 3i86 h ALA 164 N 1.90 1.41 -0.02 2.45 0.00 -0.97 -1.59 119.26 122.44 3i86 h ALA 164 Ca -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3i86 h ALA 164 Cb 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i86 h ALA 164 CO 0.01 0.20 0.02 0.78 0.00 0.00 0.00 179.25 180.27 3i86 h GLY 165 N 0.79 0.00 -2.25 0.00 0.00 -1.24 -1.39 103.07 98.99 3i86 h GLY 165 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3i86 h GLY 165 CO 0.02 0.00 0.05 3.33 0.00 0.00 0.00 176.54 179.94 3i86 n VAL 166 N -3.97 2.52 -0.96 4.60 0.24 -0.77 -4.95 118.33 115.03 3i86 n VAL 166 Ca -0.02 -2.00 0.00 0.00 -2.04 0.00 0.00 64.34 60.27 3i86 n VAL 166 Cb 0.11 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 3i86 n VAL 166 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i86 n GLY 167 N -0.54 0.77 3.67 7.63 0.00 -0.52 -5.01 105.19 111.19 3i86 n GLY 167 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 3i86 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i86 s VAL 168 N -3.06 5.28 -0.25 1.61 1.01 -0.67 -4.96 120.40 119.36 3i86 s VAL 168 Ca 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 3i86 s VAL 168 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3i86 s VAL 168 CO 0.00 0.30 0.13 -0.22 0.00 0.00 0.00 175.10 175.31 3i86 s LEU 169 N 1.16 3.85 0.35 3.92 2.96 -1.26 -2.19 118.68 127.46 3i86 s LEU 169 Ca 0.14 -0.02 0.09 0.00 -0.22 0.00 0.00 54.13 54.11 3i86 s LEU 169 Cb -0.14 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 3i86 s LEU 169 CO 0.06 0.02 0.03 0.27 -1.32 0.00 0.00 176.35 175.40 3i86 s ILE 170 N 1.32 2.58 1.23 6.68 -4.36 -1.26 -5.09 121.20 122.30 3i86 s ILE 170 Ca 0.06 -1.95 -0.15 0.00 -0.26 0.00 0.00 60.65 58.35 3i86 s ILE 170 Cb -0.15 -2.82 0.29 0.00 1.25 0.00 0.00 42.46 41.04 3i86 s ILE 170 CO 0.06 -0.18 0.87 -2.65 0.24 0.00 0.00 174.94 173.28 3i86 n PRO 171 N -0.98 -2.85 0.05 0.37 -0.02 -1.26 -4.95 135.00 125.36 3i86 n PRO 171 Ca -0.04 -0.81 -0.06 0.00 -2.02 0.00 0.00 63.50 60.57 3i86 n PRO 171 Cb 0.63 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 3i86 n PRO 171 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3i86 h ARG 172 N -2.82 0.00 -6.12 -0.52 9.65 -1.96 -3.45 114.38 109.17 3i86 h ARG 172 Ca -0.60 0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 57.60 3i86 h ARG 172 Cb 1.34 0.00 -0.18 0.00 -1.39 0.00 0.00 29.97 29.73 3i86 h ARG 172 CO 0.45 0.78 -0.68 -0.06 2.80 0.00 0.00 179.97 183.27 3i86 s PHE 173 N -2.74 2.98 0.17 2.20 0.08 -1.26 -4.50 117.98 114.92 3i86 s PHE 173 Ca 0.00 0.06 -0.15 0.00 0.12 0.00 0.00 56.93 56.95 3i86 s PHE 173 Cb 0.09 -1.72 0.13 0.00 -0.57 0.00 0.00 43.02 40.95 3i86 s PHE 173 CO 0.81 0.36 1.69 0.66 -0.10 0.00 0.00 175.22 178.64 3i86 h SER 174 N 5.21 -0.22 -0.40 1.36 4.64 -1.90 0.66 113.55 122.88 3i86 h SER 174 Ca -0.49 0.11 0.11 0.00 -0.47 0.00 0.00 61.79 61.04 3i86 h SER 174 Cb 1.18 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.45 3i86 h SER 174 CO 0.53 -0.07 0.29 1.23 -0.87 0.00 0.00 176.83 177.93 3i86 h GLY 175 N 0.08 0.06 1.70 -0.77 0.00 -1.62 1.00 103.07 103.52 3i86 h GLY 175 Ca 0.21 -0.02 -0.26 0.00 0.00 0.00 0.00 47.33 47.27 3i86 h GLY 175 CO -0.37 0.01 -1.18 -0.55 0.00 0.00 0.00 176.54 174.45 3i86 h ASP 176 N 0.04 0.35 1.30 0.19 3.32 -1.23 -3.22 116.42 117.17 3i86 h ASP 176 Ca 0.19 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3i86 h ASP 176 Cb 0.71 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 3i86 h ASP 176 CO -0.01 1.28 -0.05 1.56 -1.72 0.00 0.00 179.24 180.30 3i86 h GLN 177 N 0.07 0.00 -0.59 3.56 4.20 0.18 -1.83 115.11 120.70 3i86 h GLN 177 Ca -0.11 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.68 3i86 h GLN 177 Cb 1.91 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.65 3i86 h GLN 177 CO 0.19 0.05 0.40 -0.92 -0.67 0.00 0.00 178.83 177.88 3i86 h TYR 178 N 0.00 0.50 -0.46 2.96 3.20 -0.87 -2.84 116.97 119.47 3i86 h TYR 178 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3i86 h TYR 178 Cb 0.72 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3i86 h TYR 178 CO 0.00 0.26 0.00 0.09 -1.64 0.00 0.00 178.16 176.87 3i86 n ASN 179 N -4.47 3.58 -1.16 -2.11 3.02 -0.69 -4.51 115.26 108.91 3i86 n ASN 179 Ca 0.09 -2.22 0.08 0.00 -0.03 0.00 0.00 54.58 52.50 3i86 n ASN 179 Cb 0.30 -0.39 0.26 0.00 -0.61 0.00 0.00 39.78 39.35 3i86 n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i86 n ALA 180 N 0.69 2.69 -3.00 5.41 0.00 -1.07 -4.94 120.51 120.28 3i86 n ALA 180 Ca 0.18 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.52 3i86 n ALA 180 Cb 0.61 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3i86 n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i86 n GLY 181 N 1.17 3.05 3.72 0.00 0.00 -1.26 -4.83 105.19 107.04 3i86 n GLY 181 Ca 0.19 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 3i86 n GLY 181 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i86 s ARG 182 N -0.42 4.63 0.06 1.61 3.52 -1.05 -4.74 118.95 122.56 3i86 s ARG 182 Ca 0.00 1.44 -0.31 0.00 -0.13 0.00 0.00 55.73 56.73 3i86 s ARG 182 Cb 0.00 -3.42 -0.06 0.00 -1.56 0.00 0.00 34.95 29.91 3i86 s ARG 182 CO 0.00 0.08 1.32 -1.01 -0.81 0.00 0.00 175.30 174.88 3i86 s HIS 183 N 0.50 3.21 -0.19 5.12 3.76 -1.26 -0.91 115.29 125.52 3i86 s HIS 183 Ca 0.50 1.05 -0.02 0.00 -0.15 0.00 0.00 55.06 56.43 3i86 s HIS 183 Cb -0.22 -3.57 -0.01 0.00 1.11 0.00 0.00 32.58 29.89 3i86 s HIS 183 CO 0.29 -1.97 -0.08 0.42 -0.85 0.00 0.00 174.74 172.55 3i86 s ILE 184 N 1.48 3.14 0.23 0.60 -1.09 0.14 -4.91 121.20 120.79 3i86 s ILE 184 Ca 0.62 -0.59 -0.32 0.00 -2.23 0.00 0.00 60.65 58.14 3i86 s ILE 184 Cb -0.32 -2.39 -0.13 0.00 -1.58 0.00 0.00 42.46 38.03 3i86 s ILE 184 CO 0.28 0.46 1.43 -2.65 -1.23 0.00 0.00 174.94 173.24 3i86 n PRO 185 N 4.44 2.04 -0.27 2.79 -0.02 -1.26 0.20 135.00 142.92 3i86 n PRO 185 Ca -0.19 0.73 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 3i86 n PRO 185 Cb 0.51 -2.40 0.26 0.00 -0.02 0.00 0.00 33.50 31.85 3i86 n PRO 185 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3i86 n GLN 186 N 2.21 -0.06 0.00 -0.52 -0.06 -1.25 0.69 117.38 118.38 3i86 n GLN 186 Ca 0.12 1.16 0.12 0.00 -2.00 0.00 0.00 57.00 56.40 3i86 n GLN 186 Cb 0.31 -1.87 0.69 0.00 -4.06 0.00 0.00 30.24 25.31 3i86 n GLN 186 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 3i86 n ASP 187 N -5.06 0.00 -0.73 1.69 5.75 -1.26 -1.57 116.55 115.37 3i86 n ASP 187 Ca 0.20 -0.53 0.07 0.00 -0.01 0.00 0.00 54.79 54.51 3i86 n ASP 187 Cb 0.66 -0.09 0.16 0.00 -1.03 0.00 0.00 41.12 40.82 3i86 n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i86 n GLN 188 N -1.09 2.57 -1.54 0.11 6.02 0.22 -5.02 117.38 118.64 3i86 n GLN 188 Ca 0.16 -2.04 -0.50 0.00 -0.01 0.00 0.00 57.00 54.61 3i86 n GLN 188 Cb 0.12 -1.31 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 3i86 n GLN 188 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i86 n ALA 189 N 0.72 -1.57 -3.22 -1.58 0.00 -0.61 -4.94 120.51 109.31 3i86 n ALA 189 Ca 0.13 0.48 -0.13 0.00 0.00 0.00 0.00 53.44 53.92 3i86 n ALA 189 Cb 0.44 -1.91 -0.12 0.00 0.00 0.00 0.00 19.45 17.86 3i86 n ALA 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i86 s ARG 190 N -0.49 0.28 -0.10 0.00 3.52 -1.26 -5.04 118.95 115.86 3i86 s ARG 190 Ca 0.74 0.38 -0.40 0.00 -0.13 0.00 0.00 55.73 56.31 3i86 s ARG 190 Cb -0.92 0.11 -0.18 0.00 -1.56 0.00 0.00 34.95 32.39 3i86 s ARG 190 CO 0.54 -0.05 1.33 -2.13 -0.81 0.00 0.00 175.30 174.17 3i86 n ARG 191 N 3.13 0.48 0.00 5.12 0.63 -1.26 -1.33 116.66 123.43 3i86 n ARG 191 Ca -0.14 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3i86 n ARG 191 Cb 0.58 -1.74 0.00 0.00 0.45 0.00 0.00 32.46 31.75 3i86 n ARG 191 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i86 n GLY 192 N 2.57 1.80 3.75 5.14 0.00 0.89 -4.93 105.19 114.41 3i86 n GLY 192 Ca 0.22 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3i86 n GLY 192 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i86 s ASP 193 N -0.10 5.28 -0.03 1.61 1.01 -0.44 -4.73 116.67 119.27 3i86 s ASP 193 Ca 0.00 2.65 -0.20 0.00 0.71 0.00 0.00 52.55 55.70 3i86 s ASP 193 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3i86 s ASP 193 CO 0.00 -1.55 0.58 -0.76 0.21 0.00 0.00 175.17 173.65 3i86 s LEU 194 N -3.64 4.38 -0.15 1.23 1.43 -0.23 -0.71 118.68 120.99 3i86 s LEU 194 Ca 0.73 1.10 -0.07 0.00 -1.03 0.00 0.00 54.13 54.85 3i86 s LEU 194 Cb -0.37 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 3i86 s LEU 194 CO 0.43 0.06 0.11 -0.63 0.23 0.00 0.00 176.35 176.56 3i86 s ILE 195 N 0.04 5.27 0.17 -0.59 1.01 0.11 -1.82 121.20 125.40 3i86 s ILE 195 Ca 0.31 0.13 0.10 0.00 0.00 0.00 0.00 60.65 61.19 3i86 s ILE 195 Cb -0.18 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 3i86 s ILE 195 CO 0.16 0.54 -0.20 -0.36 0.00 0.00 0.00 174.94 175.09 3i86 s PHE 196 N -0.42 2.43 0.03 3.97 0.40 -1.26 -0.20 117.98 122.93 3i86 s PHE 196 Ca 0.11 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.17 3i86 s PHE 196 Cb -0.12 -1.23 -0.02 0.00 0.51 0.00 0.00 43.02 42.17 3i86 s PHE 196 CO 0.02 0.46 -0.13 0.71 0.70 0.00 0.00 175.22 176.98 3i86 s TYR 197 N -1.51 1.14 0.00 0.36 2.02 -0.26 -1.20 117.35 117.90 3i86 s TYR 197 Ca 0.20 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 3i86 s TYR 197 Cb -0.09 -0.69 0.00 0.00 -0.40 0.00 0.00 41.96 40.78 3i86 s TYR 197 CO 0.11 0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 3i86 n GLY 198 N 2.12 -0.25 3.67 0.71 0.00 0.15 -1.25 105.19 110.33 3i86 n GLY 198 Ca -0.17 -1.61 -0.44 0.00 0.00 0.00 0.00 46.02 43.79 3i86 n GLY 198 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i86 n PRO 199 N 0.08 2.59 -1.55 1.61 -0.04 -1.26 -0.28 135.00 136.15 3i86 n PRO 199 Ca 0.00 0.95 -0.14 0.00 -0.04 0.00 0.00 63.50 64.27 3i86 n PRO 199 Cb 0.00 -2.84 -0.05 0.00 -0.04 0.00 0.00 33.50 30.57 3i86 n PRO 199 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i86 n GLY 200 N 4.35 1.13 2.66 0.55 0.00 -1.26 -2.68 105.19 109.94 3i86 n GLY 200 Ca 0.20 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 3i86 n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i86 n GLY 201 N -1.27 -0.31 0.02 -0.02 0.00 0.62 -4.19 105.19 100.03 3i86 n GLY 201 Ca -0.14 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 45.95 3i86 n GLY 201 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i86 n SER 202 N -1.62 0.12 -0.11 1.61 3.41 -1.09 -2.25 113.62 113.70 3i86 n SER 202 Ca -0.13 -0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.28 3i86 n SER 202 Cb 0.62 -0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 64.22 3i86 n SER 202 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3i86 n GLN 203 N -1.32 0.55 -4.04 4.33 7.27 -0.38 -4.80 117.38 118.99 3i86 n GLN 203 Ca 0.11 0.23 -0.08 0.00 0.07 0.00 0.00 57.00 57.34 3i86 n GLN 203 Cb 0.29 -1.44 -0.10 0.00 2.41 0.00 0.00 30.24 31.40 3i86 n GLN 203 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 3i86 s HIS 204 N -2.69 0.43 0.01 3.69 3.76 -1.07 -4.99 115.29 114.43 3i86 s HIS 204 Ca -0.34 -0.92 0.02 0.00 -0.15 0.00 0.00 55.06 53.67 3i86 s HIS 204 Cb 0.10 -0.32 -0.01 0.00 1.11 0.00 0.00 32.58 33.46 3i86 s HIS 204 CO 0.45 -0.38 -0.06 0.54 -0.85 0.00 0.00 174.74 174.45 3i86 s VAL 205 N -3.57 0.46 0.17 -0.90 0.11 -1.26 -1.11 120.40 114.30 3i86 s VAL 205 Ca 0.04 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 58.66 3i86 s VAL 205 Cb 0.05 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 3i86 s VAL 205 CO -0.09 0.01 0.08 0.42 -3.33 0.00 0.00 175.10 172.19 3i86 s THR 206 N -0.40 0.16 -0.34 5.04 -4.23 0.73 -4.65 115.64 111.95 3i86 s THR 206 Ca -0.00 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 58.42 3i86 s THR 206 Cb -0.04 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.54 3i86 s THR 206 CO -0.00 -0.28 0.29 -0.32 -0.54 0.00 0.00 174.62 173.77 3i86 s MET 207 N -4.07 3.56 -0.00 3.99 -2.45 -0.13 0.09 119.30 120.29 3i86 s MET 207 Ca 0.30 -0.52 -0.30 0.00 -1.25 0.00 0.00 55.69 53.92 3i86 s MET 207 Cb 0.07 -3.79 -0.05 0.00 1.25 0.00 0.00 34.83 32.30 3i86 s MET 207 CO 0.06 -0.46 1.40 -0.47 1.05 0.00 0.00 175.02 176.60 3i86 s TYR 208 N 1.85 2.86 -2.69 4.11 5.04 0.11 0.34 117.35 128.97 3i86 s TYR 208 Ca 0.09 0.82 0.22 0.00 -2.44 0.00 0.00 57.07 55.76 3i86 s TYR 208 Cb -0.17 -3.66 0.22 0.00 0.35 0.00 0.00 41.96 38.70 3i86 s TYR 208 CO 0.11 -2.43 1.24 1.28 -1.34 0.00 0.00 175.55 174.40 3i86 n LEU 209 N 5.36 2.96 -0.28 6.97 4.77 -0.26 -0.08 117.00 136.43 3i86 n LEU 209 Ca 0.13 -1.10 0.03 0.00 -0.03 0.00 0.00 56.01 55.04 3i86 n LEU 209 Cb 0.44 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3i86 n LEU 209 CO 0.58 0.53 -0.13 0.61 -1.33 0.00 0.00 177.39 177.66 3i86 n GLY 210 N 1.28 -2.77 3.51 -0.72 0.00 -1.25 -4.69 105.19 100.55 3i86 n GLY 210 Ca 0.14 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 3i86 n GLY 210 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i86 n ASN 211 N -2.46 -5.40 -0.03 1.61 5.15 -1.26 -2.71 115.26 110.16 3i86 n ASN 211 Ca -0.02 -0.54 -0.00 0.00 -0.60 0.00 0.00 54.58 53.41 3i86 n ASN 211 Cb 0.13 -4.95 -0.00 0.00 -0.53 0.00 0.00 39.78 34.43 3i86 n ASN 211 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i86 n GLY 212 N -1.80 0.26 3.79 8.20 0.00 -1.26 -4.98 105.19 109.39 3i86 n GLY 212 Ca -0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 3i86 n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i86 s GLN 213 N -1.18 2.59 -0.22 1.61 -1.52 -1.10 -0.68 119.66 119.16 3i86 s GLN 213 Ca 0.00 -1.36 -0.17 0.00 -1.95 0.00 0.00 55.36 51.88 3i86 s GLN 213 Cb 0.00 -2.36 0.06 0.00 -0.22 0.00 0.00 33.01 30.50 3i86 s GLN 213 CO 0.00 0.16 0.56 1.41 -0.25 0.00 0.00 175.29 177.17 3i86 s MET 214 N -3.90 0.62 -0.18 2.91 -2.45 -0.36 -1.11 119.30 114.82 3i86 s MET 214 Ca 0.38 0.87 -0.03 0.00 -1.25 0.00 0.00 55.69 55.66 3i86 s MET 214 Cb -0.05 0.22 -0.02 0.00 1.25 0.00 0.00 34.83 36.23 3i86 s MET 214 CO 0.24 -0.11 -0.06 -1.17 1.05 0.00 0.00 175.02 174.98 3i86 s LEU 215 N 0.78 2.97 0.05 4.11 2.96 0.15 -0.59 118.68 129.11 3i86 s LEU 215 Ca -0.04 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 3i86 s LEU 215 Cb -0.05 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3i86 s LEU 215 CO -0.06 0.07 0.07 -1.83 -1.32 0.00 0.00 176.35 173.28 3i86 s GLU 216 N 0.94 0.60 0.12 1.98 -1.05 -0.45 -0.95 118.70 119.89 3i86 s GLU 216 Ca -0.00 -0.88 0.09 0.00 -0.15 0.00 0.00 54.97 54.03 3i86 s GLU 216 Cb -0.15 0.23 -0.17 0.00 -0.44 0.00 0.00 34.13 33.60 3i86 s GLU 216 CO 0.01 -0.15 1.21 0.00 0.95 0.00 0.00 175.26 177.28 3i86 h ALA 217 N 3.50 0.46 -2.04 -0.84 0.00 -1.85 -0.80 119.26 117.69 3i86 h ALA 217 Ca -0.33 -0.91 -0.40 0.00 0.00 0.00 0.00 54.91 53.27 3i86 h ALA 217 Cb 1.18 -0.05 -0.32 0.00 0.00 0.00 0.00 17.79 18.59 3i86 h ALA 217 CO 0.54 1.19 -0.71 0.45 0.00 0.00 0.00 179.25 180.72 3i86 s SER 218 N -6.57 1.41 0.00 0.00 0.15 -1.26 -3.09 113.70 104.34 3i86 s SER 218 Ca 0.01 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 54.95 3i86 s SER 218 Cb 0.09 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 3i86 s SER 218 CO 0.81 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.60 3i86 n GLY 219 N 4.17 1.04 3.47 9.45 0.00 -1.26 -5.05 105.19 117.01 3i86 n GLY 219 Ca 0.12 -0.49 -0.55 0.00 0.00 0.00 0.00 46.02 45.10 3i86 n GLY 219 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i86 n SER 220 N 1.09 -0.36 -2.97 1.61 3.41 -1.26 -0.50 113.62 114.63 3i86 n SER 220 Ca 0.00 1.15 -0.05 0.00 -0.26 0.00 0.00 58.87 59.71 3i86 n SER 220 Cb 0.29 -0.94 -0.01 0.00 -0.26 0.00 0.00 64.21 63.28 3i86 n SER 220 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i86 s ALA 221 N -0.34 -1.82 -0.06 7.33 0.00 -1.26 -4.57 121.76 121.04 3i86 s ALA 221 Ca 0.81 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 3i86 s ALA 221 Cb -1.14 -2.60 0.04 0.00 0.00 0.00 0.00 23.12 19.42 3i86 s ALA 221 CO 0.56 -2.21 0.12 0.20 0.00 0.00 0.00 175.76 174.44 3i86 s GLY 222 N 1.12 0.06 -0.02 0.00 0.00 -1.26 -5.07 107.32 102.15 3i86 s GLY 222 Ca 0.25 0.50 -0.12 0.00 0.00 0.00 0.00 44.72 45.36 3i86 s GLY 222 CO -0.06 1.31 0.26 0.54 0.00 0.00 0.00 173.10 175.15 3i86 s LYS 223 N 1.80 0.57 0.02 2.90 1.02 0.35 0.12 119.74 126.52 3i86 s LYS 223 Ca -0.02 -0.18 -0.38 0.00 0.02 0.00 0.00 55.97 55.42 3i86 s LYS 223 Cb -0.12 0.25 -0.17 0.00 -0.52 0.00 0.00 37.83 37.27 3i86 s LYS 223 CO -0.05 -0.15 1.39 0.28 -0.92 0.00 0.00 175.35 175.90 3i86 n VAL 224 N 1.52 0.05 -3.68 3.17 0.31 0.05 -4.53 118.33 115.23 3i86 n VAL 224 Ca -0.21 -0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.04 3i86 n VAL 224 Cb 0.56 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 3i86 n VAL 224 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 3i86 n THR 225 N 2.79 0.00 -4.66 2.52 5.66 -0.31 -0.78 114.28 119.49 3i86 n THR 225 Ca 0.20 -0.90 -0.33 0.00 -3.05 0.00 0.00 64.05 59.97 3i86 n THR 225 Cb 0.17 0.72 -0.12 0.00 -1.55 0.00 0.00 70.33 69.55 3i86 n THR 225 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3i86 s VAL 226 N -2.50 3.52 0.04 1.08 1.01 -1.26 -1.34 120.40 120.95 3i86 s VAL 226 Ca 0.15 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3i86 s VAL 226 Cb -0.02 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3i86 s VAL 226 CO 0.11 0.57 -0.04 -0.44 0.00 0.00 0.00 175.10 175.30 3i86 s SER 227 N -0.47 0.53 0.36 3.32 0.01 0.25 -4.96 113.70 112.75 3i86 s SER 227 Ca 0.07 -0.74 -0.27 0.00 1.31 0.00 0.00 55.95 56.31 3i86 s SER 227 Cb -0.12 0.12 -0.10 0.00 0.21 0.00 0.00 66.02 66.14 3i86 s SER 227 CO 0.02 -0.41 1.29 -2.84 0.41 0.00 0.00 173.24 171.72 3i86 s PRO 228 N -2.60 4.20 0.21 12.44 0.02 -1.26 -1.23 135.00 146.78 3i86 s PRO 228 Ca -0.04 2.16 -0.31 0.00 0.02 0.00 0.00 61.00 62.83 3i86 s PRO 228 Cb -0.02 -2.93 -0.11 0.00 0.02 0.00 0.00 34.50 31.46 3i86 s PRO 228 CO -0.04 -0.30 1.64 0.08 -0.33 0.00 0.00 177.00 178.05 3i86 s VAL 229 N -1.20 2.23 0.10 3.83 1.01 0.14 -4.85 120.40 121.66 3i86 s VAL 229 Ca 0.52 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 3i86 s VAL 229 Cb -0.38 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3i86 s VAL 229 CO 0.50 0.02 0.30 -0.13 0.00 0.00 0.00 175.10 175.79 3i86 s ARG 230 N 0.78 3.54 -0.23 2.72 0.52 -1.26 -5.05 118.95 119.98 3i86 s ARG 230 Ca 0.71 -0.23 -0.11 0.00 -0.52 0.00 0.00 55.73 55.57 3i86 s ARG 230 Cb -0.47 -2.94 -0.18 0.00 0.52 0.00 0.00 34.95 31.88 3i86 s ARG 230 CO 0.35 0.54 -0.04 1.63 0.02 0.00 0.00 175.30 177.80 3i86 n LYS 231 N 0.23 0.63 -1.76 3.54 4.76 -1.26 -4.75 118.16 119.56 3i86 n LYS 231 Ca -0.04 0.32 -0.42 0.00 -2.87 0.00 0.00 58.31 55.30 3i86 n LYS 231 Cb 0.51 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 32.07 3i86 n LYS 231 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 3i86 s PRO 232 N -2.48 4.14 0.00 1.97 0.02 -1.26 -2.53 135.00 134.87 3i86 s PRO 232 Ca -0.32 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.26 3i86 s PRO 232 Cb 0.10 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 31.26 3i86 s PRO 232 CO 0.59 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 3i86 n GLY 233 N 4.07 0.84 3.77 0.52 0.00 -1.26 -4.94 105.19 108.19 3i86 n GLY 233 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3i86 n GLY 233 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i86 s MET 234 N -0.26 4.03 0.63 1.61 0.00 -1.05 -0.68 119.30 123.59 3i86 s MET 234 Ca 0.00 2.21 -0.17 0.00 0.00 0.00 0.00 55.69 57.74 3i86 s MET 234 Cb 0.00 -2.82 -0.02 0.00 0.00 0.00 0.00 34.83 31.99 3i86 s MET 234 CO 0.00 -0.46 1.14 0.95 0.00 0.00 0.00 175.02 176.65 3i86 s THR 235 N -1.23 2.99 0.42 10.11 -4.23 -0.34 -4.82 115.64 118.54 3i86 s THR 235 Ca 0.55 0.53 0.12 0.00 -1.18 0.00 0.00 61.69 61.71 3i86 s THR 235 Cb -0.39 -3.10 0.32 0.00 1.34 0.00 0.00 72.50 70.67 3i86 s THR 235 CO 0.51 -0.22 1.97 1.55 -0.54 0.00 0.00 174.62 177.89 3i86 h PRO 236 N 0.42 0.46 -6.44 3.99 0.13 -1.94 -3.44 132.00 125.18 3i86 h PRO 236 Ca -0.48 -0.03 -0.63 0.00 -0.87 0.00 0.00 66.00 63.98 3i86 h PRO 236 Cb 1.27 -0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 3i86 h PRO 236 CO 0.54 0.31 -0.70 -0.06 -0.23 0.00 0.00 178.00 177.86 3i86 s PHE 237 N -5.45 2.76 0.39 1.56 0.08 -1.26 -3.80 117.98 112.26 3i86 s PHE 237 Ca -0.08 -0.16 0.05 0.00 0.12 0.00 0.00 56.93 56.86 3i86 s PHE 237 Cb 0.20 -1.38 -0.00 0.00 -0.57 0.00 0.00 43.02 41.26 3i86 s PHE 237 CO 0.75 0.48 0.55 -0.51 -0.10 0.00 0.00 175.22 176.39 3i86 s LEU 238 N -2.61 3.81 -0.10 -0.37 1.02 0.13 -4.51 118.68 116.04 3i86 s LEU 238 Ca 0.25 -0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.29 3i86 s LEU 238 Cb -0.10 -2.82 0.01 0.00 0.02 0.00 0.00 46.19 43.30 3i86 s LEU 238 CO 0.16 -0.59 -0.20 -0.89 0.02 0.00 0.00 176.35 174.85 3i86 s THR 239 N -2.32 1.79 -0.35 5.49 2.01 -0.75 0.29 115.64 121.79 3i86 s THR 239 Ca 0.48 -0.85 -0.11 0.00 0.31 0.00 0.00 61.69 61.52 3i86 s THR 239 Cb -0.10 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.85 3i86 s THR 239 CO 0.33 0.50 0.21 -0.60 -0.69 0.00 0.00 174.62 174.37 3i86 s ARG 240 N 0.54 3.16 0.04 4.92 3.52 -0.09 -1.07 118.95 129.97 3i86 s ARG 240 Ca -0.15 -0.86 0.05 0.00 -0.13 0.00 0.00 55.73 54.64 3i86 s ARG 240 Cb -0.17 -3.73 -0.24 0.00 -1.56 0.00 0.00 34.95 29.26 3i86 s ARG 240 CO 0.05 -0.56 0.98 0.82 -0.81 0.00 0.00 175.30 175.78 3i86 h ILE 241 N 5.69 1.30 -3.21 4.11 1.08 -1.88 -2.79 117.51 121.81 3i86 h ILE 241 Ca -0.29 -3.03 -0.57 0.00 -0.39 0.00 0.00 64.86 60.58 3i86 h ILE 241 Cb 1.13 2.70 -0.35 0.00 -3.07 0.00 0.00 36.82 37.23 3i86 h ILE 241 CO 0.65 0.79 -0.83 -0.63 -0.69 0.00 0.00 178.15 177.45 3i86 s ILE 242 N -2.65 1.39 -0.03 -0.67 1.01 -1.26 -4.97 121.20 114.03 3i86 s ILE 242 Ca -0.04 -0.55 -0.23 0.00 0.00 0.00 0.00 60.65 59.83 3i86 s ILE 242 Cb 0.08 -1.31 -0.17 0.00 0.01 0.00 0.00 42.46 41.08 3i86 s ILE 242 CO 0.83 0.43 1.06 -0.33 0.00 0.00 0.00 174.94 176.92 3i86 h GLU 243 N 7.76 -0.26 0.00 2.79 4.39 -1.93 -3.49 114.58 123.84 3i86 h GLU 243 Ca -0.33 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3i86 h GLU 243 Cb 1.15 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3i86 h GLU 243 CO 0.48 0.14 0.00 2.48 -1.16 0.00 0.00 179.01 180.95