#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyx n VAL 122 N 0.00 -4.83 0.00 2.52 0.31 -1.26 -0.78 118.33 114.28 1xyx n VAL 122 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 64.34 63.48 1xyx n VAL 122 Cb 0.00 -3.68 0.00 0.00 -0.91 0.00 0.00 33.84 29.25 1xyx n VAL 122 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xyx n GLY 123 N -1.82 1.26 0.00 2.92 0.00 -1.26 -2.80 105.19 103.49 1xyx n GLY 123 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1xyx n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyx n GLY 124 N 0.00 0.00 0.25 -0.02 0.00 -0.76 -5.02 105.19 99.64 1xyx n GLY 124 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1xyx n GLY 124 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xyx h LEU 125 N 0.00 0.00 0.00 0.99 -0.00 -0.79 -3.47 115.31 112.04 1xyx h LEU 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1xyx h LEU 125 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1xyx h LEU 125 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 1xyx n GLY 126 N 0.41 2.89 0.00 0.83 0.00 -1.21 -4.27 105.19 103.84 1xyx n GLY 126 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1xyx n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyx n GLY 127 N -2.00 0.57 0.35 -0.02 0.00 -1.26 -5.06 105.19 97.78 1xyx n GLY 127 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 1xyx n GLY 127 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xyx n TYR 128 N 0.00 -3.74 -3.97 1.61 4.02 -1.26 -5.00 117.16 108.81 1xyx n TYR 128 Ca 0.00 -0.13 -0.34 0.00 -0.01 0.00 0.00 57.90 57.42 1xyx n TYR 128 Cb 0.00 -0.08 -0.14 0.00 -0.02 0.00 0.00 39.34 39.09 1xyx n TYR 128 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1xyx s MET 129 N -3.02 2.51 -0.18 -0.72 -1.94 0.10 -4.96 119.30 111.09 1xyx s MET 129 Ca 0.07 -1.20 -0.29 0.00 -1.71 0.00 0.00 55.69 52.56 1xyx s MET 129 Cb -0.00 -3.03 0.00 0.00 2.01 0.00 0.00 34.83 33.81 1xyx s MET 129 CO 0.05 -0.53 1.05 -1.17 -0.01 0.00 0.00 175.02 174.40 1xyx s LEU 130 N 1.23 4.16 0.95 -0.03 2.96 -1.26 -1.33 118.68 125.36 1xyx s LEU 130 Ca -0.04 1.46 -0.15 0.00 -0.22 0.00 0.00 54.13 55.18 1xyx s LEU 130 Cb -0.19 -3.55 0.17 0.00 0.50 0.00 0.00 46.19 43.13 1xyx s LEU 130 CO -0.03 -0.60 1.24 -0.83 -1.32 0.00 0.00 176.35 174.80 1xyx s GLY 131 N 1.23 1.68 0.67 7.98 0.00 0.04 -4.98 107.32 113.94 1xyx s GLY 131 Ca 0.46 -0.94 -0.11 0.00 0.00 0.00 0.00 44.72 44.13 1xyx s GLY 131 CO 0.11 -0.26 1.07 -0.56 0.00 0.00 0.00 173.10 173.46 1xyx s SER 132 N -4.57 5.72 0.38 1.64 0.01 -1.26 -4.41 113.70 111.20 1xyx s SER 132 Ca 0.69 1.28 -0.26 0.00 1.31 0.00 0.00 55.95 58.97 1xyx s SER 132 Cb -0.08 -2.18 -0.12 0.00 0.21 0.00 0.00 66.02 63.85 1xyx s SER 132 CO 0.52 -1.18 1.12 0.00 0.41 0.00 0.00 173.24 174.11 1xyx n ALA 133 N -2.93 0.55 -2.36 1.44 0.00 -1.26 -4.37 120.51 111.58 1xyx n ALA 133 Ca 0.07 0.30 -0.18 0.00 0.00 0.00 0.00 53.44 53.62 1xyx n ALA 133 Cb 0.56 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.76 1xyx n ALA 133 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1xyx s MET 134 N -1.92 1.45 0.81 0.00 -1.94 -0.50 -4.96 119.30 112.23 1xyx s MET 134 Ca 0.60 -1.77 -0.11 0.00 -1.71 0.00 0.00 55.69 52.70 1xyx s MET 134 Cb -0.58 -0.56 0.08 0.00 2.01 0.00 0.00 34.83 35.78 1xyx s MET 134 CO 0.59 -0.19 1.09 0.45 -0.01 0.00 0.00 175.02 176.95 1xyx s SER 135 N -3.36 4.19 0.00 3.03 0.15 -1.26 -4.84 113.70 111.61 1xyx s SER 135 Ca 0.34 1.79 -0.38 0.00 0.70 0.00 0.00 55.95 58.40 1xyx s SER 135 Cb 0.07 -2.46 -0.17 0.00 -1.71 0.00 0.00 66.02 61.75 1xyx s SER 135 CO 0.12 -2.23 1.37 -2.11 1.20 0.00 0.00 173.24 171.59 1xyx n ARG 136 N -3.65 0.93 -0.78 5.44 -4.01 -1.26 -4.98 116.66 108.36 1xyx n ARG 136 Ca 0.09 0.34 -0.18 0.00 -1.04 0.00 0.00 57.85 57.05 1xyx n ARG 136 Cb 0.53 -1.96 0.15 0.00 -3.04 0.00 0.00 32.46 28.14 1xyx n ARG 136 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24 1xyx n PRO 137 N 2.83 -1.94 -3.75 2.89 -0.04 -1.26 -5.02 135.00 128.71 1xyx n PRO 137 Ca 0.20 -1.12 -0.28 0.00 -0.04 0.00 0.00 63.50 62.26 1xyx n PRO 137 Cb 0.16 -0.96 -0.11 0.00 -0.04 0.00 0.00 33.50 32.54 1xyx n PRO 137 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1xyx n MET 138 N -3.35 1.95 -1.59 0.54 2.81 -1.26 -5.08 117.12 111.15 1xyx n MET 138 Ca 0.10 -4.49 -0.31 0.00 -1.81 0.00 0.00 57.70 51.19 1xyx n MET 138 Cb 0.36 -2.25 0.05 0.00 -0.71 0.00 0.00 33.22 30.67 1xyx n MET 138 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1xyx s ILE 139 N -1.69 3.78 0.07 2.02 -1.09 -1.26 -5.10 121.20 117.94 1xyx s ILE 139 Ca 0.29 0.63 0.05 0.00 -2.23 0.00 0.00 60.65 59.40 1xyx s ILE 139 Cb 0.01 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.60 1xyx s ILE 139 CO -0.13 -0.70 -0.14 -1.38 -1.23 0.00 0.00 174.94 171.35 1xyx s HIS 140 N -2.87 1.24 -0.94 3.97 -3.43 -1.26 -5.04 115.29 106.95 1xyx s HIS 140 Ca 0.60 -0.45 0.08 0.00 -0.80 0.00 0.00 55.06 54.49 1xyx s HIS 140 Cb -0.15 -0.70 0.12 0.00 -1.43 0.00 0.00 32.58 30.42 1xyx s HIS 140 CO 0.51 0.06 0.91 1.19 -2.00 0.00 0.00 174.74 175.41 1xyx n PHE 141 N 1.30 0.11 -1.24 0.38 3.72 -1.26 -4.96 117.46 115.52 1xyx n PHE 141 Ca -0.21 -0.16 -0.08 0.00 -0.05 0.00 0.00 57.45 56.95 1xyx n PHE 141 Cb 0.54 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 1xyx n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xyx n GLY 142 N 0.41 0.92 3.27 1.37 0.00 -1.26 -4.99 105.19 104.90 1xyx n GLY 142 Ca 0.06 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 1xyx n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xyx s ASN 143 N -2.50 2.07 -0.03 1.61 0.01 -1.26 -5.07 114.94 109.77 1xyx s ASN 143 Ca 0.00 -0.95 -0.09 0.00 -0.71 0.00 0.00 52.86 51.11 1xyx s ASN 143 Cb 0.00 -0.06 -0.05 0.00 0.41 0.00 0.00 41.25 41.54 1xyx s ASN 143 CO 0.00 -0.23 0.48 -0.78 -1.51 0.00 0.00 177.10 175.06 1xyx h ASP 144 N 2.96 -0.29 0.17 -1.22 3.58 -2.01 -3.34 116.42 116.28 1xyx h ASP 144 Ca -0.38 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 1xyx h ASP 144 Cb 1.20 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.32 1xyx h ASP 144 CO 0.59 0.04 -0.05 4.11 -2.88 0.00 0.00 179.24 181.05 1xyx h TRP 145 N -0.82 0.00 -0.07 0.28 5.08 -1.98 -0.67 115.95 117.77 1xyx h TRP 145 Ca -0.03 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.89 1xyx h TRP 145 Cb 0.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 1xyx h TRP 145 CO 0.02 0.05 -0.15 0.93 -1.28 0.00 0.00 178.44 178.01 1xyx h GLU 146 N 0.00 0.22 -0.90 0.12 5.08 -1.98 0.66 114.58 117.78 1xyx h GLU 146 Ca -0.00 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1xyx h GLU 146 Cb 0.14 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1xyx h GLU 146 CO 0.01 0.74 0.59 0.22 -1.00 0.00 0.00 179.01 179.57 1xyx h ASP 147 N -0.27 1.04 -0.31 1.42 3.58 -1.27 0.11 116.42 120.72 1xyx h ASP 147 Ca 0.00 -0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.46 1xyx h ASP 147 Cb 0.74 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.49 1xyx h ASP 147 CO 0.03 0.76 0.08 -0.09 -2.88 0.00 0.00 179.24 177.14 1xyx h ARG 148 N 1.23 0.19 -0.26 0.28 2.43 -1.36 -0.19 114.38 116.70 1xyx h ARG 148 Ca 0.33 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.52 1xyx h ARG 148 Cb -0.13 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1xyx h ARG 148 CO -0.07 0.13 0.06 -0.92 -1.51 0.00 0.00 179.97 177.65 1xyx h TYR 149 N 0.20 0.10 -0.41 2.20 5.03 0.32 -2.23 116.97 122.18 1xyx h TYR 149 Ca 0.14 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.55 1xyx h TYR 149 Cb 0.14 -0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.34 1xyx h TYR 149 CO -0.16 0.03 -0.04 -0.92 -1.32 0.00 0.00 178.16 175.75 1xyx h TYR 150 N 0.16 -0.10 0.00 -3.82 3.20 -0.57 -2.00 116.97 113.84 1xyx h TYR 150 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1xyx h TYR 150 Cb 0.11 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1xyx h TYR 150 CO -0.15 -0.12 0.00 0.00 -1.64 0.00 0.00 178.16 176.25 1xyx h ARG 151 N 0.06 0.00 -0.00 1.82 3.08 -0.40 -0.73 114.38 118.21 1xyx h ARG 151 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1xyx h ARG 151 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1xyx h ARG 151 CO -0.37 0.00 -0.14 0.39 -1.07 0.00 0.00 179.97 178.78 1xyx n GLU 152 N -2.32 5.25 -0.00 0.04 1.02 -0.95 -4.52 120.64 119.16 1xyx n GLU 152 Ca -0.01 -0.07 0.08 0.00 -0.02 0.00 0.00 57.16 57.14 1xyx n GLU 152 Cb 0.09 -0.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.71 1xyx n GLU 152 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xyx n ASN 153 N -0.95 0.81 -0.13 1.62 3.02 -0.79 -4.64 115.26 114.20 1xyx n ASN 153 Ca 0.01 -0.88 0.24 0.00 -0.03 0.00 0.00 54.58 53.92 1xyx n ASN 153 Cb 0.06 1.02 0.67 0.00 -0.61 0.00 0.00 39.78 40.92 1xyx n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xyx h MET 154 N 0.00 0.08 -0.31 3.52 -0.00 -1.38 -0.61 114.93 116.22 1xyx h MET 154 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1xyx h MET 154 Cb 0.41 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 31.98 1xyx h MET 154 CO 0.00 0.05 0.20 0.10 -0.00 0.00 0.00 176.91 177.26 1xyx h TYR 155 N 0.08 0.40 0.00 -0.10 -0.00 -1.87 -2.48 116.97 112.99 1xyx h TYR 155 Ca 0.37 0.01 -0.05 0.00 -0.00 0.00 0.00 58.73 59.06 1xyx h TYR 155 Cb 1.37 -0.13 -0.01 0.00 -0.00 0.00 0.00 36.73 37.96 1xyx h TYR 155 CO -0.00 0.26 -0.26 -0.09 -0.00 0.00 0.00 178.16 178.07 1xyx h ARG 156 N 0.43 0.00 -6.81 0.10 9.65 -1.46 -3.46 114.38 112.83 1xyx h ARG 156 Ca 0.11 0.00 -0.50 0.00 -1.10 0.00 0.00 59.98 58.50 1xyx h ARG 156 Cb -0.03 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1xyx h ARG 156 CO -0.02 0.26 0.07 0.71 2.80 0.00 0.00 179.97 183.79 1xyx s TYR 157 N -3.44 3.50 0.77 2.20 2.02 -0.94 -5.06 117.35 116.40 1xyx s TYR 157 Ca 0.02 0.91 -0.11 0.00 -0.37 0.00 0.00 57.07 57.52 1xyx s TYR 157 Cb 0.09 -2.34 0.06 0.00 -0.40 0.00 0.00 41.96 39.36 1xyx s TYR 157 CO 0.66 -0.11 1.09 -1.25 -1.57 0.00 0.00 175.55 174.38 1xyx s PRO 158 N -4.06 2.26 0.00 -1.71 0.04 -1.26 -4.95 135.00 125.31 1xyx s PRO 158 Ca 0.49 1.20 0.25 0.00 0.04 0.00 0.00 61.00 62.97 1xyx s PRO 158 Cb -0.10 -1.90 0.47 0.00 0.04 0.00 0.00 34.50 33.01 1xyx s PRO 158 CO 0.35 -1.65 1.39 0.09 0.04 0.00 0.00 177.00 177.22 1xyx n ASN 159 N -3.47 0.60 -4.22 6.66 4.13 -1.26 -4.97 115.26 112.73 1xyx n ASN 159 Ca 0.09 -0.38 -0.13 0.00 1.68 0.00 0.00 54.58 55.84 1xyx n ASN 159 Cb 0.53 0.30 -0.10 0.00 -1.54 0.00 0.00 39.78 38.97 1xyx n ASN 159 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1xyx s GLN 160 N -2.95 1.16 0.12 3.52 -0.21 -1.26 -1.41 119.66 118.64 1xyx s GLN 160 Ca 0.12 -1.60 -0.09 0.00 0.02 0.00 0.00 55.36 53.82 1xyx s GLN 160 Cb 0.18 0.07 -0.01 0.00 1.00 0.00 0.00 33.01 34.25 1xyx s GLN 160 CO 0.69 -0.30 0.23 0.14 -2.12 0.00 0.00 175.29 173.93 1xyx s VAL 161 N -3.97 0.11 -0.15 1.09 -7.23 -1.26 -4.98 120.40 104.00 1xyx s VAL 161 Ca 0.33 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 1xyx s VAL 161 Cb 0.07 -1.59 -0.00 0.00 0.56 0.00 0.00 36.38 35.42 1xyx s VAL 161 CO 0.09 -0.48 -0.15 -0.31 -0.31 0.00 0.00 175.10 173.93 1xyx s TYR 162 N -3.92 2.78 0.18 2.82 2.02 -1.26 -0.78 117.35 119.19 1xyx s TYR 162 Ca 0.11 -1.01 0.01 0.00 -0.37 0.00 0.00 57.07 55.81 1xyx s TYR 162 Cb 0.04 -1.88 -0.00 0.00 -0.40 0.00 0.00 41.96 39.72 1xyx s TYR 162 CO -0.06 -0.46 0.21 2.48 -1.57 0.00 0.00 175.55 176.16 1xyx n TYR 163 N 4.01 -0.74 -4.24 2.71 4.11 -0.44 -4.53 117.16 118.04 1xyx n TYR 163 Ca -0.19 -1.32 -0.29 0.00 -0.00 0.00 0.00 57.90 56.11 1xyx n TYR 163 Cb 0.52 0.23 -0.09 0.00 -0.00 0.00 0.00 39.34 40.00 1xyx n TYR 163 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1xyx s ARG 164 N -2.53 2.15 0.60 -3.48 0.52 -1.26 0.03 118.95 114.97 1xyx s ARG 164 Ca 0.17 -1.10 -0.17 0.00 -0.52 0.00 0.00 55.73 54.12 1xyx s ARG 164 Cb 0.00 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 1xyx s ARG 164 CO 0.12 0.48 1.11 -1.25 0.02 0.00 0.00 175.30 175.78 1xyx s PRO 165 N -2.48 3.13 0.23 3.54 0.04 -1.26 -4.92 135.00 133.28 1xyx s PRO 165 Ca 0.23 1.44 0.21 0.00 0.04 0.00 0.00 61.00 62.92 1xyx s PRO 165 Cb -0.10 -1.99 0.94 0.00 0.04 0.00 0.00 34.50 33.39 1xyx s PRO 165 CO 0.15 -1.00 1.64 1.33 0.04 0.00 0.00 177.00 179.16 1xyx n VAL 166 N -1.88 0.94 0.19 -0.36 0.24 -1.26 -1.00 118.33 115.19 1xyx n VAL 166 Ca 0.10 0.35 0.04 0.00 -2.04 0.00 0.00 64.34 62.80 1xyx n VAL 166 Cb 0.52 -1.28 0.36 0.00 -1.47 0.00 0.00 33.84 31.96 1xyx n VAL 166 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1xyx h ASP 167 N 0.00 0.00 -2.11 -1.34 3.58 -1.97 -3.40 116.42 111.17 1xyx h ASP 167 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 1xyx h ASP 167 Cb 0.26 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 40.92 1xyx h ASP 167 CO 0.00 0.39 -1.05 1.67 -2.88 0.00 0.00 179.24 177.36 1xyx n GLN 168 N -3.77 0.63 -2.94 0.28 7.27 -0.17 -5.08 117.38 113.59 1xyx n GLN 168 Ca -0.01 -3.26 -0.08 0.00 0.07 0.00 0.00 57.00 53.72 1xyx n GLN 168 Cb 0.46 -1.37 -0.03 0.00 2.41 0.00 0.00 30.24 31.71 1xyx n GLN 168 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 1xyx n TYR 169 N 1.79 -0.57 0.17 3.69 4.11 -1.25 -4.47 117.16 120.63 1xyx n TYR 169 Ca 0.24 -1.26 0.00 0.00 -0.00 0.00 0.00 57.90 56.88 1xyx n TYR 169 Cb 0.51 0.18 0.00 0.00 -0.00 0.00 0.00 39.34 40.03 1xyx n TYR 169 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1xyx n SER 170 N -2.20 -1.93 -4.91 9.48 7.64 -1.26 -5.12 113.62 115.32 1xyx n SER 170 Ca 0.02 0.63 -0.28 0.00 1.01 0.00 0.00 58.87 60.26 1xyx n SER 170 Cb 0.28 1.93 -0.03 0.00 -1.01 0.00 0.00 64.21 65.38 1xyx n SER 170 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xyx s ASN 171 N -3.48 6.43 -0.22 6.43 2.20 -1.26 -5.05 114.94 119.99 1xyx s ASN 171 Ca 0.00 0.61 -0.06 0.00 -0.94 0.00 0.00 52.86 52.46 1xyx s ASN 171 Cb 0.00 -2.10 -0.11 0.00 -2.00 0.00 0.00 41.25 37.04 1xyx s ASN 171 CO 0.00 -0.14 -0.25 0.00 -2.94 0.00 0.00 177.10 173.77 1xyx n GLN 172 N -0.83 0.49 -0.02 3.55 10.64 -1.26 -4.06 117.38 125.89 1xyx n GLN 172 Ca -0.03 0.17 -0.13 0.00 -1.83 0.00 0.00 57.00 55.19 1xyx n GLN 172 Cb 0.54 -1.34 -0.09 0.00 -0.86 0.00 0.00 30.24 28.49 1xyx n GLN 172 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 1xyx h ASN 173 N -0.50 0.07 -0.85 2.61 -0.00 -1.99 0.15 115.58 115.07 1xyx h ASN 173 Ca -0.53 -0.41 -0.02 0.00 -0.00 0.00 0.00 56.30 55.34 1xyx h ASN 173 Cb 1.58 -0.02 -0.04 0.00 -0.00 0.00 0.00 38.32 39.84 1xyx h ASN 173 CO -0.24 0.47 0.47 0.78 -0.00 0.00 0.00 177.43 178.90 1xyx h ASN 174 N -0.33 1.05 -0.87 1.15 4.21 -2.01 -2.03 115.58 116.75 1xyx h ASN 174 Ca 0.01 -0.10 0.04 0.00 1.21 0.00 0.00 56.30 57.46 1xyx h ASN 174 Cb 0.44 -0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 37.32 1xyx h ASN 174 CO 0.00 0.85 0.57 0.15 -1.29 0.00 0.00 177.43 177.71 1xyx h PHE 175 N 1.18 1.04 0.32 1.19 3.04 -1.67 -1.41 116.94 120.63 1xyx h PHE 175 Ca 0.30 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.26 1xyx h PHE 175 Cb 0.02 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.19 1xyx h PHE 175 CO 0.01 0.59 -0.15 0.28 -2.02 0.00 0.00 178.31 177.01 1xyx h VAL 176 N 1.07 0.69 -0.65 1.41 2.07 -0.01 0.19 116.25 121.03 1xyx h VAL 176 Ca 0.35 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.86 1xyx h VAL 176 Cb 0.06 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1xyx h VAL 176 CO -0.11 0.02 0.31 -0.74 0.02 0.00 0.00 177.57 177.07 1xyx h HIS 177 N -0.48 0.56 0.06 1.57 -0.00 -1.19 -0.09 115.15 115.57 1xyx h HIS 177 Ca -0.04 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1xyx h HIS 177 Cb 0.37 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1xyx h HIS 177 CO -0.04 0.21 -0.03 0.22 -0.00 0.00 0.00 177.93 178.29 1xyx h ASP 178 N 0.55 -0.06 -0.55 3.26 3.58 -0.89 0.13 116.42 122.44 1xyx h ASP 178 Ca 0.31 -0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.63 1xyx h ASP 178 Cb 0.31 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1xyx h ASP 178 CO -0.25 0.02 0.05 0.00 -2.88 0.00 0.00 179.24 176.19 1xyx h VAL 180 N 0.81 0.99 -0.31 0.00 2.07 -0.84 0.28 116.25 119.26 1xyx h VAL 180 Ca 0.16 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1xyx h VAL 180 Cb 0.46 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1xyx h VAL 180 CO 0.02 0.06 0.15 -1.13 0.02 0.00 0.00 177.57 176.70 1xyx h ASN 181 N 0.35 0.41 -0.52 0.57 -1.24 -0.55 0.03 115.58 114.63 1xyx h ASN 181 Ca 0.14 -0.12 -0.13 0.00 0.71 0.00 0.00 56.30 56.91 1xyx h ASN 181 Cb 0.05 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 1xyx h ASN 181 CO -0.09 0.41 -0.16 0.40 -1.29 0.00 0.00 177.43 176.70 1xyx h ILE 182 N 0.37 1.27 0.06 2.57 1.08 -0.89 0.45 117.51 122.43 1xyx h ILE 182 Ca 0.11 -1.33 -0.00 0.00 -0.39 0.00 0.00 64.86 63.24 1xyx h ILE 182 Cb 0.11 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1xyx h ILE 182 CO -0.01 0.47 -0.03 0.74 -0.69 0.00 0.00 178.15 178.62 1xyx h THR 183 N 0.90 1.09 -0.39 -0.27 2.02 -0.83 -1.03 112.91 114.40 1xyx h THR 183 Ca 0.13 -0.54 0.04 0.00 0.77 0.00 0.00 66.41 66.81 1xyx h THR 183 Cb 0.74 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.56 1xyx h THR 183 CO 0.06 0.13 0.15 0.40 0.37 0.00 0.00 175.52 176.64 1xyx h ILE 184 N -0.33 0.91 -0.12 3.11 2.04 -0.83 -1.14 117.51 121.16 1xyx h ILE 184 Ca -0.01 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1xyx h ILE 184 Cb 0.29 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 1xyx h ILE 184 CO 0.01 0.06 -0.45 0.50 0.00 0.00 0.00 178.15 178.27 1xyx h LYS 185 N 0.32 -0.51 0.02 2.37 3.64 -0.05 0.15 116.57 122.51 1xyx h LYS 185 Ca 0.17 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1xyx h LYS 185 Cb 0.14 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1xyx h LYS 185 CO -0.16 -0.34 -0.24 1.96 -2.27 0.00 0.00 179.45 178.40 1xyx h GLN 186 N -0.52 -0.37 0.00 1.90 1.08 -0.46 0.43 115.11 117.16 1xyx h GLN 186 Ca 0.06 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1xyx h GLN 186 Cb 0.65 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1xyx h GLN 186 CO -0.40 -0.25 0.00 0.72 -0.95 0.00 0.00 178.83 177.95 1xyx n HIS 187 N -5.36 0.00 0.02 2.96 8.25 -0.50 -0.02 115.22 120.57 1xyx n HIS 187 Ca -0.05 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1xyx n HIS 187 Cb 0.28 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.20 1xyx n HIS 187 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1xyx n THR 188 N -1.22 0.60 0.01 1.59 -1.04 0.46 -4.46 114.28 110.21 1xyx n THR 188 Ca 0.04 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.25 1xyx n THR 188 Cb 0.05 0.73 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 1xyx n THR 188 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1xyx n VAL 189 N -0.06 0.02 0.31 12.58 0.31 0.13 -4.43 118.33 127.20 1xyx n VAL 189 Ca 0.03 0.01 0.04 0.00 -0.01 0.00 0.00 64.34 64.40 1xyx n VAL 189 Cb 0.21 -0.32 0.18 0.00 -0.91 0.00 0.00 33.84 33.00 1xyx n VAL 189 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1xyx n THR 190 N -2.57 1.21 -0.06 2.52 5.66 0.97 -0.29 114.28 121.72 1xyx n THR 190 Ca 0.00 0.30 -0.09 0.00 -3.05 0.00 0.00 64.05 61.22 1xyx n THR 190 Cb 0.00 -1.17 -0.05 0.00 -1.55 0.00 0.00 70.33 67.56 1xyx n THR 190 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1xyx n THR 191 N -1.41 0.68 0.20 1.09 -1.04 -1.23 -4.69 114.28 107.88 1xyx n THR 191 Ca 0.03 -0.25 0.07 0.00 -2.04 0.00 0.00 64.05 61.85 1xyx n THR 191 Cb 0.08 -0.98 0.38 0.00 -1.82 0.00 0.00 70.33 67.99 1xyx n THR 191 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1xyx h THR 192 N -0.03 0.80 -0.78 12.58 2.02 -1.05 -1.97 112.91 124.48 1xyx h THR 192 Ca -0.27 -1.38 0.15 0.00 0.77 0.00 0.00 66.41 65.68 1xyx h THR 192 Cb 1.40 1.86 -0.05 0.00 -1.74 0.00 0.00 68.15 69.62 1xyx h THR 192 CO -0.05 0.32 0.52 0.00 0.37 0.00 0.00 175.52 176.68 1xyx h THR 193 N 0.00 0.79 0.00 3.16 1.03 -0.92 -3.20 112.91 113.77 1xyx h THR 193 Ca -0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 1xyx h THR 193 Cb 0.84 0.31 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 1xyx h THR 193 CO 0.04 0.08 -0.14 0.11 -0.01 0.00 0.00 175.52 175.60 1xyx h LYS 194 N 0.45 0.00 0.00 0.00 6.56 -1.69 -3.49 116.57 118.39 1xyx h LYS 194 Ca 0.39 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.98 1xyx h LYS 194 Cb 0.86 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.52 1xyx h LYS 194 CO -0.13 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.67 1xyx n GLY 195 N 1.73 -0.70 3.03 3.86 0.00 -0.99 -5.14 105.19 106.98 1xyx n GLY 195 Ca -0.02 0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1xyx n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xyx s GLU 196 N 0.00 2.24 0.00 1.61 2.56 -0.79 -4.96 118.70 119.37 1xyx s GLU 196 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.97 54.42 1xyx s GLU 196 Cb 0.00 -1.99 0.00 0.00 2.00 0.00 0.00 34.13 34.14 1xyx s GLU 196 CO 0.00 -0.15 0.00 -1.71 -0.56 0.00 0.00 175.26 172.84 1xyx n ASN 197 N 4.50 0.00 -4.00 -1.70 2.85 -1.26 -2.49 115.26 113.16 1xyx n ASN 197 Ca -0.18 -0.99 -0.10 0.00 -0.11 0.00 0.00 54.58 53.21 1xyx n ASN 197 Cb 0.51 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.46 1xyx n ASN 197 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xyx s PHE 198 N -4.45 0.49 0.66 1.20 0.40 -1.26 -5.12 117.98 109.90 1xyx s PHE 198 Ca 0.00 -0.83 -0.06 0.00 -0.60 0.00 0.00 56.93 55.44 1xyx s PHE 198 Cb 0.00 -0.05 0.05 0.00 0.51 0.00 0.00 43.02 43.52 1xyx s PHE 198 CO 0.00 -0.79 0.96 0.95 0.70 0.00 0.00 175.22 177.05 1xyx s THR 199 N -4.01 2.64 0.22 0.64 -4.23 -1.26 -4.80 115.64 104.84 1xyx s THR 199 Ca 0.22 -0.24 -0.10 0.00 -1.18 0.00 0.00 61.69 60.38 1xyx s THR 199 Cb 0.03 -3.11 0.20 0.00 1.34 0.00 0.00 72.50 70.96 1xyx s THR 199 CO 0.04 -0.11 1.67 -0.08 -0.54 0.00 0.00 174.62 175.60 1xyx h GLU 200 N -0.43 0.16 0.08 3.99 4.81 -2.03 0.22 114.58 121.38 1xyx h GLU 200 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1xyx h GLU 200 Cb 1.30 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1xyx h GLU 200 CO 0.60 0.10 -0.08 1.15 -0.73 0.00 0.00 179.01 180.05 1xyx h THR 201 N 0.16 0.82 -0.47 0.32 2.02 -1.98 0.25 112.91 114.03 1xyx h THR 201 Ca 0.34 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.56 1xyx h THR 201 Cb 0.55 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 1xyx h THR 201 CO -0.51 0.00 0.23 0.44 0.37 0.00 0.00 175.52 176.05 1xyx h ASP 202 N -0.17 0.32 -0.74 4.18 3.32 -1.58 -0.28 116.42 121.47 1xyx h ASP 202 Ca 0.00 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.16 1xyx h ASP 202 Cb 0.17 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1xyx h ASP 202 CO -0.02 0.23 0.42 0.58 -1.72 0.00 0.00 179.24 178.72 1xyx h VAL 203 N 0.45 0.95 -0.23 -1.35 2.07 -0.03 0.32 116.25 118.44 1xyx h VAL 203 Ca 0.21 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1xyx h VAL 203 Cb 0.13 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1xyx h VAL 203 CO -0.15 0.14 0.04 0.50 0.02 0.00 0.00 177.57 178.11 1xyx h LYS 204 N 0.74 0.37 -0.17 1.57 3.64 -0.13 -2.33 116.57 120.26 1xyx h LYS 204 Ca 0.34 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1xyx h LYS 204 Cb 0.25 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1xyx h LYS 204 CO -0.21 0.50 -0.43 0.52 -2.27 0.00 0.00 179.45 177.57 1xyx h MET 205 N 0.18 0.41 -0.51 1.90 2.86 -0.28 -2.85 114.93 116.63 1xyx h MET 205 Ca 0.07 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1xyx h MET 205 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1xyx h MET 205 CO 0.00 0.76 0.26 0.52 1.06 0.00 0.00 176.91 179.51 1xyx h MET 206 N 0.33 0.72 -0.60 1.72 2.86 -0.33 -1.68 114.93 117.96 1xyx h MET 206 Ca 0.03 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1xyx h MET 206 Cb 0.89 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 1xyx h MET 206 CO 0.07 0.59 0.40 0.93 1.06 0.00 0.00 176.91 179.96 1xyx h GLU 207 N 0.68 0.50 0.31 1.72 5.08 -1.18 0.15 114.58 121.84 1xyx h GLU 207 Ca 0.18 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1xyx h GLU 207 Cb 0.10 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1xyx h GLU 207 CO -0.02 0.33 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.07 1xyx h ARG 208 N 0.51 -0.41 -0.54 2.33 9.65 -1.30 -1.68 114.38 122.95 1xyx h ARG 208 Ca 0.27 0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.15 1xyx h ARG 208 Cb 0.38 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 1xyx h ARG 208 CO -0.08 -0.10 0.25 -0.24 2.80 0.00 0.00 179.97 182.60 1xyx h VAL 209 N -0.74 1.21 -0.13 0.20 3.04 -0.89 -2.02 116.25 116.92 1xyx h VAL 209 Ca -0.04 -0.60 -0.17 0.00 -1.01 0.00 0.00 66.70 64.89 1xyx h VAL 209 Cb 0.50 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.37 1xyx h VAL 209 CO 0.07 0.23 -0.62 0.58 -1.01 0.00 0.00 177.57 176.83 1xyx h VAL 210 N 0.72 1.35 0.54 1.51 2.07 -0.74 0.09 116.25 121.80 1xyx h VAL 210 Ca 0.18 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 1xyx h VAL 210 Cb 0.14 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1xyx h VAL 210 CO -0.02 0.59 -0.43 -0.08 0.02 0.00 0.00 177.57 177.65 1xyx h GLU 211 N 0.33 -0.92 -0.27 1.57 4.81 -1.16 -1.63 114.58 117.32 1xyx h GLU 211 Ca -0.01 0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1xyx h GLU 211 Cb 1.16 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1xyx h GLU 211 CO 0.11 -0.61 0.16 1.96 -0.73 0.00 0.00 179.01 179.90 1xyx h GLN 212 N -0.95 0.36 -0.25 1.92 1.08 -1.09 0.86 115.11 117.04 1xyx h GLN 212 Ca -0.06 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.17 1xyx h GLN 212 Cb 0.81 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 28.10 1xyx h GLN 212 CO -0.00 0.28 -0.17 0.52 -0.95 0.00 0.00 178.83 178.50 1xyx h MET 213 N 0.34 -0.15 0.04 1.46 2.86 -1.00 -0.96 114.93 117.53 1xyx h MET 213 Ca 0.10 0.01 -0.24 0.00 -2.06 0.00 0.00 59.70 57.50 1xyx h MET 213 Cb 0.01 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1xyx h MET 213 CO -0.02 -0.10 -1.19 0.00 1.06 0.00 0.00 176.91 176.66 1xyx h VAL 215 N 0.02 0.44 -0.53 0.00 2.07 -0.83 0.10 116.25 117.52 1xyx h VAL 215 Ca -0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1xyx h VAL 215 Cb 1.87 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1xyx h VAL 215 CO 0.14 0.00 0.29 0.74 0.02 0.00 0.00 177.57 178.76 1xyx h THR 216 N -0.47 0.99 -0.17 2.57 2.02 -1.04 0.06 112.91 116.87 1xyx h THR 216 Ca 0.03 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1xyx h THR 216 Cb 0.49 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1xyx h THR 216 CO -0.14 0.10 0.07 -0.61 0.37 0.00 0.00 175.52 175.31 1xyx h GLN 217 N 0.56 0.25 -0.31 6.66 5.75 -0.58 0.24 115.11 127.68 1xyx h GLN 217 Ca 0.23 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.73 1xyx h GLN 217 Cb 0.10 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1xyx h GLN 217 CO -0.14 0.33 0.06 -0.92 -2.65 0.00 0.00 178.83 175.51 1xyx h TYR 218 N 0.13 0.10 -0.70 3.99 3.20 -0.75 -1.96 116.97 120.96 1xyx h TYR 218 Ca 0.06 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1xyx h TYR 218 Cb 0.17 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1xyx h TYR 218 CO -0.01 0.02 0.29 1.96 -1.64 0.00 0.00 178.16 178.78 1xyx h GLN 219 N 0.17 1.04 -0.70 1.82 4.20 -0.72 0.89 115.11 121.81 1xyx h GLN 219 Ca 0.15 -0.18 0.11 0.00 0.06 0.00 0.00 58.65 58.79 1xyx h GLN 219 Cb 0.16 -0.17 -0.08 0.00 0.30 0.00 0.00 27.48 27.69 1xyx h GLN 219 CO -0.20 0.85 0.31 0.87 -0.67 0.00 0.00 178.83 179.99 1xyx h LYS 220 N 1.00 0.49 0.08 1.46 1.57 0.20 0.20 116.57 121.56 1xyx h LYS 220 Ca 0.24 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.71 1xyx h LYS 220 Cb 0.19 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1xyx h LYS 220 CO -0.02 0.32 -1.33 0.93 -0.57 0.00 0.00 179.45 178.78 1xyx h GLU 221 N 0.50 0.17 0.22 3.15 5.08 -1.09 -0.26 114.58 122.35 1xyx h GLU 221 Ca 0.36 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1xyx h GLU 221 Cb 0.47 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1xyx h GLU 221 CO -0.33 1.06 -0.11 1.03 -1.00 0.00 0.00 179.01 179.67 1xyx h SER 222 N 0.05 -0.27 0.24 1.42 0.87 -0.54 -1.29 113.55 114.04 1xyx h SER 222 Ca -0.16 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1xyx h SER 222 Cb 1.94 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.96 1xyx h SER 222 CO 0.16 -0.19 -0.24 -0.61 -0.53 0.00 0.00 176.83 175.43 1xyx h GLN 223 N -0.30 -0.49 -0.67 2.24 5.75 -0.67 0.80 115.11 121.77 1xyx h GLN 223 Ca -0.03 0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.63 1xyx h GLN 223 Cb 0.24 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 1xyx h GLN 223 CO 0.04 -0.33 0.45 0.00 -2.65 0.00 0.00 178.83 176.35 1xyx h ALA 224 N 0.16 2.10 -0.01 3.38 0.00 -0.89 0.33 119.26 124.33 1xyx h ALA 224 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xyx h ALA 224 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xyx h ALA 224 CO -0.05 -0.27 -0.11 -0.92 0.00 0.00 0.00 179.25 177.90 1xyx h TYR 225 N 0.38 0.13 -0.75 0.00 3.20 -0.94 -2.55 116.97 116.45 1xyx h TYR 225 Ca 0.32 -0.06 0.17 0.00 3.14 0.00 0.00 58.73 62.30 1xyx h TYR 225 Cb 0.73 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 1xyx h TYR 225 CO -0.00 0.79 0.51 1.88 -1.64 0.00 0.00 178.16 179.70 1xyx h TYR 226 N -0.56 0.35 0.00 -3.82 0.05 0.69 -0.52 116.97 113.17 1xyx h TYR 226 Ca -0.01 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1xyx h TYR 226 Cb 0.81 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 1xyx h TYR 226 CO 0.16 0.12 -0.52 -0.44 -1.05 0.00 0.00 178.16 176.43 1xyx h ASP 227 N 0.29 0.00 -0.51 3.88 5.19 -0.47 -3.35 116.42 121.46 1xyx h ASP 227 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 1xyx h ASP 227 Cb 1.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1xyx h ASP 227 CO -0.09 0.41 0.00 0.61 -3.12 0.00 0.00 179.24 177.05 1xyx n GLY 228 N 1.22 1.42 0.12 2.75 0.00 -0.21 -4.17 105.19 106.32 1xyx n GLY 228 Ca 0.01 -0.57 0.02 0.00 0.00 0.00 0.00 46.02 45.49 1xyx n GLY 228 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xyx n ARG 229 N 1.02 1.19 -2.52 1.61 1.85 -1.18 -4.92 116.66 113.70 1xyx n ARG 229 Ca 0.18 -1.41 -0.43 0.00 -1.00 0.00 0.00 57.85 55.18 1xyx n ARG 229 Cb 0.44 -0.89 0.00 0.00 -1.05 0.00 0.00 32.46 30.96 1xyx n ARG 229 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1xyx n ARG 230 N -0.50 3.41 -2.22 2.89 5.12 -1.26 -4.75 116.66 119.35 1xyx n ARG 230 Ca 0.04 -3.53 -0.38 0.00 -1.93 0.00 0.00 57.85 52.05 1xyx n ARG 230 Cb 0.50 -3.06 0.03 0.00 -1.16 0.00 0.00 32.46 28.77 1xyx n ARG 230 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1xyx n SER 231 N 5.16 6.92 0.00 0.55 7.64 -1.26 -5.18 113.62 127.46 1xyx n SER 231 Ca 0.41 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.51 1xyx n SER 231 Cb 0.40 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1xyx n SER 231 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79