#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyu s VAL 122 N 0.00 4.07 -0.95 3.34 1.01 -1.26 -4.93 120.40 121.67 1xyu s VAL 122 Ca 0.00 1.10 -0.06 0.00 0.00 0.00 0.00 61.98 63.02 1xyu s VAL 122 Cb 0.00 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 32.02 1xyu s VAL 122 CO 0.00 -0.84 2.74 0.61 0.00 0.00 0.00 175.10 177.61 1xyu n GLY 123 N 4.89 4.55 2.15 4.51 0.00 -1.26 -3.60 105.19 116.43 1xyu n GLY 123 Ca 0.14 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1xyu n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyu n GLY 124 N 1.83 -1.38 0.10 -0.02 0.00 -1.26 -4.96 105.19 99.51 1xyu n GLY 124 Ca 0.59 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.73 1xyu n GLY 124 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xyu h LEU 125 N 0.00 -0.11 0.00 0.99 3.38 -1.87 -3.48 115.31 114.22 1xyu h LEU 125 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1xyu h LEU 125 Cb 0.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xyu h LEU 125 CO 0.00 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1xyu n GLY 126 N -0.04 0.87 0.87 0.83 0.00 -1.24 -4.61 105.19 101.86 1xyu n GLY 126 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1xyu n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyu n GLY 127 N -2.00 -0.07 3.68 -0.02 0.00 -1.26 -5.06 105.19 100.45 1xyu n GLY 127 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1xyu n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyu s TYR 128 N -1.43 2.21 0.47 1.61 1.51 -1.26 -4.37 117.35 116.09 1xyu s TYR 128 Ca 0.00 0.22 0.07 0.00 -1.01 0.00 0.00 57.07 56.35 1xyu s TYR 128 Cb 0.00 -3.97 0.01 0.00 -0.11 0.00 0.00 41.96 37.88 1xyu s TYR 128 CO 0.00 -4.01 0.43 -1.64 -1.11 0.00 0.00 175.55 169.22 1xyu s MET 129 N 3.15 2.42 0.13 -0.62 -1.94 0.77 -4.78 119.30 118.42 1xyu s MET 129 Ca 0.75 -1.70 0.10 0.00 -1.71 0.00 0.00 55.69 53.13 1xyu s MET 129 Cb -0.38 -2.31 -0.04 0.00 2.01 0.00 0.00 34.83 34.10 1xyu s MET 129 CO 0.32 -0.39 -0.24 -1.17 -0.01 0.00 0.00 175.02 173.53 1xyu s LEU 130 N -4.23 2.46 0.00 -0.03 2.96 -1.26 -1.46 118.68 117.11 1xyu s LEU 130 Ca 0.45 -0.69 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1xyu s LEU 130 Cb -0.03 -1.33 0.03 0.00 0.50 0.00 0.00 46.19 45.36 1xyu s LEU 130 CO 0.27 0.18 0.21 0.61 -1.32 0.00 0.00 176.35 176.30 1xyu n GLY 131 N 0.84 1.66 0.11 7.98 0.00 -1.25 -5.03 105.19 109.51 1xyu n GLY 131 Ca -0.17 -2.11 -0.17 0.00 0.00 0.00 0.00 46.02 43.57 1xyu n GLY 131 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xyu h SER 132 N -0.02 0.46 -3.86 1.61 0.02 -1.95 -3.48 113.55 106.34 1xyu h SER 132 Ca -0.07 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1xyu h SER 132 Cb 0.31 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1xyu h SER 132 CO 0.10 1.40 0.00 0.00 -1.14 0.00 0.00 176.83 177.18 1xyu n ALA 133 N -2.56 0.00 -2.53 3.77 0.00 -1.26 -5.04 120.51 112.88 1xyu n ALA 133 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 1xyu n ALA 133 Cb 1.03 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.40 1xyu n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xyu s MET 134 N -2.44 1.16 1.02 0.00 0.23 0.43 -4.99 119.30 114.72 1xyu s MET 134 Ca 0.00 -1.35 -0.17 0.00 -1.03 0.00 0.00 55.69 53.14 1xyu s MET 134 Cb 0.00 0.33 0.22 0.00 -1.53 0.00 0.00 34.83 33.86 1xyu s MET 134 CO 0.00 -0.41 1.28 -1.12 -2.03 0.00 0.00 175.02 172.74 1xyu s SER 135 N -3.04 2.56 0.29 -1.18 0.01 -1.26 -4.68 113.70 106.40 1xyu s SER 135 Ca 0.24 0.33 -0.28 0.00 1.31 0.00 0.00 55.95 57.55 1xyu s SER 135 Cb 0.05 -0.40 -0.09 0.00 0.21 0.00 0.00 66.02 65.78 1xyu s SER 135 CO 0.04 -3.09 1.02 -0.13 0.41 0.00 0.00 173.24 171.50 1xyu s ARG 136 N -5.80 4.63 0.23 12.44 1.81 -1.26 -5.00 118.95 126.00 1xyu s ARG 136 Ca 0.74 1.60 -0.30 0.00 -1.72 0.00 0.00 55.73 56.05 1xyu s ARG 136 Cb -0.05 -3.07 -0.09 0.00 -0.45 0.00 0.00 34.95 31.30 1xyu s ARG 136 CO 0.54 0.26 1.00 -1.25 -0.68 0.00 0.00 175.30 175.17 1xyu s PRO 137 N -1.60 4.76 -0.69 3.54 0.04 -1.26 -5.02 135.00 134.76 1xyu s PRO 137 Ca 0.46 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 1xyu s PRO 137 Cb -0.27 -3.27 0.17 0.00 0.04 0.00 0.00 34.50 31.17 1xyu s PRO 137 CO 0.34 0.36 0.67 -0.51 0.04 0.00 0.00 177.00 177.90 1xyu s LEU 138 N -1.04 6.35 0.39 -3.56 1.43 -1.26 -4.97 118.68 116.01 1xyu s LEU 138 Ca 0.43 -2.19 -0.23 0.00 -1.03 0.00 0.00 54.13 51.10 1xyu s LEU 138 Cb -0.28 -2.23 -0.10 0.00 0.03 0.00 0.00 46.19 43.62 1xyu s LEU 138 CO 0.34 -0.75 0.97 -0.63 0.23 0.00 0.00 176.35 176.51 1xyu s ILE 139 N 1.06 4.17 -0.30 -0.59 -1.09 -1.26 -5.03 121.20 118.16 1xyu s ILE 139 Ca 0.12 1.57 -0.29 0.00 -2.23 0.00 0.00 60.65 59.82 1xyu s ILE 139 Cb -0.19 -3.77 0.01 0.00 -1.58 0.00 0.00 42.46 36.93 1xyu s ILE 139 CO -0.03 -0.07 1.19 -1.38 -1.23 0.00 0.00 174.94 173.42 1xyu s HIS 140 N -1.85 2.92 0.00 3.97 -3.43 -1.26 -4.91 115.29 110.72 1xyu s HIS 140 Ca 0.57 1.03 0.00 0.00 -0.80 0.00 0.00 55.06 55.86 1xyu s HIS 140 Cb -0.15 -3.78 0.00 0.00 -1.43 0.00 0.00 32.58 27.22 1xyu s HIS 140 CO 0.20 -1.27 0.00 1.19 -2.00 0.00 0.00 174.74 172.87 1xyu n PHE 141 N 7.18 0.00 -2.70 0.38 3.72 -1.26 -5.03 117.46 119.75 1xyu n PHE 141 Ca 0.13 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.36 1xyu n PHE 141 Cb 0.47 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.03 1xyu n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xyu n GLY 142 N 4.44 -0.26 0.00 1.37 0.00 -1.26 -4.97 105.19 104.51 1xyu n GLY 142 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1xyu n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xyu n ASN 143 N -1.42 0.00 0.04 1.61 3.02 -1.26 -5.00 115.26 112.25 1xyu n ASN 143 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1xyu n ASN 143 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 1xyu n ASN 143 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1xyu n ASP 144 N 0.00 0.75 -0.10 6.41 8.00 -1.26 -4.97 116.55 125.37 1xyu n ASP 144 Ca 0.00 0.12 -0.22 0.00 0.71 0.00 0.00 54.79 55.41 1xyu n ASP 144 Cb 0.00 -0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 40.82 1xyu n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xyu n TYR 145 N -3.35 0.00 -0.34 1.24 4.11 -1.26 -4.49 117.16 113.07 1xyu n TYR 145 Ca 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 57.90 58.19 1xyu n TYR 145 Cb 0.12 -0.74 0.62 0.00 -0.00 0.00 0.00 39.34 39.34 1xyu n TYR 145 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 1xyu h GLU 146 N -0.77 0.21 -1.00 -3.48 3.07 -1.94 0.34 114.58 111.00 1xyu h GLU 146 Ca -0.50 -0.01 0.32 0.00 -0.50 0.00 0.00 59.36 58.67 1xyu h GLU 146 Cb 1.42 -0.05 -0.15 0.00 -0.84 0.00 0.00 28.75 29.13 1xyu h GLU 146 CO -0.30 0.14 0.57 0.22 -1.40 0.00 0.00 179.01 178.24 1xyu h ASP 147 N 0.21 0.53 0.00 1.42 1.82 -1.94 0.22 116.42 118.69 1xyu h ASP 147 Ca 0.61 0.19 -0.23 0.00 -0.39 0.00 0.00 57.03 57.22 1xyu h ASP 147 Cb 1.92 0.13 -0.04 0.00 0.68 0.00 0.00 39.33 42.03 1xyu h ASP 147 CO -0.20 -0.12 -1.78 -1.14 -1.61 0.00 0.00 179.24 174.38 1xyu n ARG 148 N -5.04 0.31 -0.22 0.28 0.63 -0.17 -4.52 116.66 107.93 1xyu n ARG 148 Ca 0.32 0.11 0.14 0.00 -0.92 0.00 0.00 57.85 57.50 1xyu n ARG 148 Cb 0.97 -1.10 0.44 0.00 0.45 0.00 0.00 32.46 33.22 1xyu n ARG 148 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1xyu h TYR 149 N -0.33 0.66 0.54 -0.14 5.03 -0.36 0.41 116.97 122.77 1xyu h TYR 149 Ca -0.34 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 60.96 1xyu h TYR 149 Cb 1.37 -0.21 0.01 0.00 1.55 0.00 0.00 36.73 39.45 1xyu h TYR 149 CO -0.02 0.24 -0.26 -0.92 -1.32 0.00 0.00 178.16 175.88 1xyu h TYR 150 N 0.56 -0.67 -0.99 -3.82 3.20 -0.75 -1.49 116.97 113.00 1xyu h TYR 150 Ca 0.41 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.44 1xyu h TYR 150 Cb 0.79 0.22 -0.10 0.00 1.54 0.00 0.00 36.73 39.19 1xyu h TYR 150 CO -0.00 -0.39 0.62 0.00 -1.64 0.00 0.00 178.16 176.74 1xyu h ARG 151 N -0.78 0.77 0.13 1.82 2.47 -1.12 0.40 114.38 118.07 1xyu h ARG 151 Ca -0.07 -0.05 -0.29 0.00 -1.26 0.00 0.00 59.98 58.31 1xyu h ARG 151 Cb 0.58 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1xyu h ARG 151 CO 0.12 0.51 -1.38 0.93 0.56 0.00 0.00 179.97 180.72 1xyu h GLU 152 N 0.79 0.28 -0.01 0.04 5.08 -1.27 -3.36 114.58 116.14 1xyu h GLU 152 Ca 0.54 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xyu h GLU 152 Cb 0.80 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1xyu h GLU 152 CO -0.32 1.19 -0.44 0.09 -1.00 0.00 0.00 179.01 178.53 1xyu n ASN 153 N -3.51 1.56 0.28 1.42 3.02 -0.56 -4.52 115.26 112.94 1xyu n ASN 153 Ca -0.12 -1.22 0.16 0.00 -0.03 0.00 0.00 54.58 53.37 1xyu n ASN 153 Cb 1.04 0.39 0.92 0.00 -0.61 0.00 0.00 39.78 41.51 1xyu n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xyu h MET 154 N 1.76 0.00 0.00 3.52 -0.00 -0.40 -0.52 114.93 119.30 1xyu h MET 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1xyu h MET 154 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.24 1xyu h MET 154 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.91 177.01 1xyu h TYR 155 N 0.00 0.00 -0.29 -0.10 -0.00 -1.85 -2.93 116.97 111.80 1xyu h TYR 155 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 1xyu h TYR 155 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.87 1xyu h TYR 155 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 178.16 181.05 1xyu n ARG 156 N -2.69 2.22 -3.07 0.10 1.85 -0.20 -4.90 116.66 109.96 1xyu n ARG 156 Ca 0.01 -1.84 -0.23 0.00 -1.00 0.00 0.00 57.85 54.79 1xyu n ARG 156 Cb 0.23 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 1xyu n ARG 156 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1xyu s TYR 157 N -1.63 3.31 0.80 2.89 2.02 -1.11 -5.09 117.35 118.54 1xyu s TYR 157 Ca 0.36 0.29 -0.12 0.00 -0.37 0.00 0.00 57.07 57.23 1xyu s TYR 157 Cb 0.21 -2.20 0.08 0.00 -0.40 0.00 0.00 41.96 39.64 1xyu s TYR 157 CO 0.30 -0.23 1.14 -1.25 -1.57 0.00 0.00 175.55 173.94 1xyu s PRO 158 N -4.50 1.87 0.00 -1.71 0.04 -1.26 -4.96 135.00 124.48 1xyu s PRO 158 Ca 0.46 1.45 0.19 0.00 0.04 0.00 0.00 61.00 63.15 1xyu s PRO 158 Cb -0.10 -1.83 0.36 0.00 0.04 0.00 0.00 34.50 32.97 1xyu s PRO 158 CO 0.38 -1.98 1.30 0.27 0.04 0.00 0.00 177.00 177.01 1xyu n ASN 159 N -3.46 3.17 -4.02 6.66 6.94 -1.26 -4.94 115.26 118.35 1xyu n ASN 159 Ca 0.11 -1.92 -0.10 0.00 -0.02 0.00 0.00 54.58 52.66 1xyu n ASN 159 Cb 0.52 -0.22 -0.08 0.00 -2.36 0.00 0.00 39.78 37.65 1xyu n ASN 159 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1xyu s GLN 160 N -1.31 1.13 0.01 -3.83 -0.21 -1.26 -0.43 119.66 113.76 1xyu s GLN 160 Ca 0.33 -1.27 -0.03 0.00 0.02 0.00 0.00 55.36 54.41 1xyu s GLN 160 Cb 0.19 0.34 -0.01 0.00 1.00 0.00 0.00 33.01 34.53 1xyu s GLN 160 CO 0.26 -0.40 0.03 0.14 -2.12 0.00 0.00 175.29 173.21 1xyu s VAL 161 N -4.00 0.09 -0.02 1.09 -7.23 -1.26 -5.02 120.40 104.05 1xyu s VAL 161 Ca 0.21 -0.78 -0.16 0.00 -1.81 0.00 0.00 61.98 59.43 1xyu s VAL 161 Cb 0.04 -0.31 -0.06 0.00 0.56 0.00 0.00 36.38 36.62 1xyu s VAL 161 CO 0.02 -0.43 0.45 -0.31 -0.31 0.00 0.00 175.10 174.52 1xyu s TYR 162 N -1.35 3.69 0.15 2.82 2.02 -1.26 -3.81 117.35 119.61 1xyu s TYR 162 Ca -0.15 1.01 -0.16 0.00 -0.37 0.00 0.00 57.07 57.41 1xyu s TYR 162 Cb -0.09 -2.38 0.03 0.00 -0.40 0.00 0.00 41.96 39.12 1xyu s TYR 162 CO -0.00 0.52 0.43 1.52 -1.57 0.00 0.00 175.55 176.45 1xyu s TYR 163 N -0.68 -0.11 0.23 2.71 1.13 -0.54 -4.58 117.35 115.52 1xyu s TYR 163 Ca 0.25 -0.23 -0.07 0.00 -1.41 0.00 0.00 57.07 55.61 1xyu s TYR 163 Cb -0.17 0.27 -0.06 0.00 -1.10 0.00 0.00 41.96 40.90 1xyu s TYR 163 CO 0.13 -0.78 0.52 1.03 -2.51 0.00 0.00 175.55 173.94 1xyu s ARG 164 N -3.85 3.72 0.67 -3.49 0.52 -1.26 -0.16 118.95 115.10 1xyu s ARG 164 Ca 0.07 0.14 -0.17 0.00 -0.52 0.00 0.00 55.73 55.24 1xyu s ARG 164 Cb 0.01 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.80 1xyu s ARG 164 CO -0.07 0.32 1.28 -1.25 0.02 0.00 0.00 175.30 175.60 1xyu s PRO 165 N -2.99 2.43 0.55 3.54 0.04 -1.26 -4.90 135.00 132.42 1xyu s PRO 165 Ca 0.45 2.03 0.33 0.00 0.04 0.00 0.00 61.00 63.85 1xyu s PRO 165 Cb -0.11 -1.83 1.55 0.00 0.04 0.00 0.00 34.50 34.15 1xyu s PRO 165 CO 0.24 -1.68 2.07 0.28 0.04 0.00 0.00 177.00 177.95 1xyu h VAL 166 N 0.36 0.24 0.00 -0.36 2.07 -1.97 -3.16 116.25 113.43 1xyu h VAL 166 Ca -0.50 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1xyu h VAL 166 Cb 1.33 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1xyu h VAL 166 CO 0.52 0.06 0.00 -0.90 0.02 0.00 0.00 177.57 177.28 1xyu n ASP 167 N -3.29 0.36 0.00 0.57 5.68 -1.26 -3.78 116.55 114.83 1xyu n ASP 167 Ca -0.01 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.45 1xyu n ASP 167 Cb 0.25 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1xyu n ASP 167 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1xyu n HIS 168 N 0.19 0.00 -2.55 2.11 -0.00 -1.20 -4.99 115.22 108.79 1xyu n HIS 168 Ca 0.00 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.20 1xyu n HIS 168 Cb 0.09 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.00 1xyu n HIS 168 CO 0.00 0.00 0.00 2.48 0.46 0.00 0.00 176.34 179.28 1xyu n TYR 169 N -1.94 0.45 -1.43 1.57 4.11 -1.26 -5.11 117.16 113.56 1xyu n TYR 169 Ca 0.00 -1.09 -0.48 0.00 -0.00 0.00 0.00 57.90 56.33 1xyu n TYR 169 Cb 0.00 -0.18 -0.10 0.00 -0.00 0.00 0.00 39.34 39.05 1xyu n TYR 169 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1xyu n SER 170 N 0.05 1.18 -4.02 9.48 3.41 -1.25 -4.95 113.62 117.52 1xyu n SER 170 Ca 0.08 0.27 -0.11 0.00 -0.26 0.00 0.00 58.87 58.85 1xyu n SER 170 Cb 1.02 -1.10 -0.11 0.00 -0.26 0.00 0.00 64.21 63.76 1xyu n SER 170 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1xyu s ASN 171 N 8.26 0.55 0.03 4.04 -0.87 -1.26 -5.07 114.94 120.61 1xyu s ASN 171 Ca 1.20 -0.54 -0.15 0.00 -1.57 0.00 0.00 52.86 51.79 1xyu s ASN 171 Cb -1.06 0.07 -0.08 0.00 -0.02 0.00 0.00 41.25 40.16 1xyu s ASN 171 CO 0.50 -0.26 1.23 -0.61 -2.57 0.00 0.00 177.10 175.38 1xyu h GLN 172 N 4.52 -0.50 -0.65 -0.60 5.75 -1.97 -2.86 115.11 118.80 1xyu h GLN 172 Ca -0.34 0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.28 1xyu h GLN 172 Cb 1.20 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.83 1xyu h GLN 172 CO 0.42 -0.33 0.43 -0.91 -2.65 0.00 0.00 178.83 175.78 1xyu h ASN 173 N -0.52 0.48 0.51 -0.69 2.35 -1.99 0.36 115.58 116.08 1xyu h ASN 173 Ca -0.05 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1xyu h ASN 173 Cb 0.41 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1xyu h ASN 173 CO 0.07 0.29 -0.13 -3.20 -1.65 0.00 0.00 177.43 172.81 1xyu n ASN 174 N -4.48 0.35 -0.88 5.81 2.85 -1.23 -1.17 115.26 116.51 1xyu n ASN 174 Ca 0.10 -0.30 0.12 0.00 -0.11 0.00 0.00 54.58 54.39 1xyu n ASN 174 Cb 0.33 -0.13 0.11 0.00 1.24 0.00 0.00 39.78 41.33 1xyu n ASN 174 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1xyu n PHE 175 N -1.15 0.00 0.00 1.20 3.01 0.05 -3.90 117.46 116.66 1xyu n PHE 175 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1xyu n PHE 175 Cb 0.29 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 1xyu n PHE 175 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1xyu n VAL 176 N 1.12 0.00 0.11 -4.37 0.31 -0.43 -4.29 118.33 110.78 1xyu n VAL 176 Ca 0.14 0.41 -0.14 0.00 -0.01 0.00 0.00 64.34 64.74 1xyu n VAL 176 Cb 0.57 -1.41 -0.07 0.00 -0.91 0.00 0.00 33.84 32.02 1xyu n VAL 176 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1xyu h HIS 177 N 0.00 -1.15 -0.10 3.52 -0.00 -1.40 0.32 115.15 116.34 1xyu h HIS 177 Ca 0.00 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.33 1xyu h HIS 177 Cb 0.00 0.49 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 1xyu h HIS 177 CO 0.00 -0.51 -0.24 0.22 -0.00 0.00 0.00 177.93 177.40 1xyu h ASP 178 N -0.64 0.17 -0.03 3.26 1.82 -1.77 0.23 116.42 119.47 1xyu h ASP 178 Ca 0.02 -0.05 -0.19 0.00 -0.39 0.00 0.00 57.03 56.43 1xyu h ASP 178 Cb 0.67 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.65 1xyu h ASP 178 CO -0.24 0.42 -0.72 0.00 -1.61 0.00 0.00 179.24 177.09 1xyu h VAL 180 N 0.12 0.95 -0.67 0.00 2.07 -0.75 0.25 116.25 118.23 1xyu h VAL 180 Ca -0.08 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.59 1xyu h VAL 180 Cb 1.40 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1xyu h VAL 180 CO 0.14 0.00 0.46 -1.13 0.02 0.00 0.00 177.57 177.07 1xyu h ASN 181 N 0.02 0.19 0.00 0.57 -1.24 -0.85 0.40 115.58 114.67 1xyu h ASN 181 Ca 0.03 0.01 -0.17 0.00 0.71 0.00 0.00 56.30 56.88 1xyu h ASN 181 Cb 0.04 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 1xyu h ASN 181 CO -0.06 0.10 -1.00 0.40 -1.29 0.00 0.00 177.43 175.58 1xyu h ILE 182 N 0.20 0.88 -0.40 2.57 1.08 -1.08 -3.30 117.51 117.46 1xyu h ILE 182 Ca 0.32 -2.02 -0.01 0.00 -0.39 0.00 0.00 64.86 62.76 1xyu h ILE 182 Cb 0.98 2.02 -0.02 0.00 -3.07 0.00 0.00 36.82 36.74 1xyu h ILE 182 CO -0.06 0.30 0.22 0.74 -0.69 0.00 0.00 178.15 178.65 1xyu h THR 183 N -1.00 1.15 0.73 -0.27 2.02 0.15 0.32 112.91 116.00 1xyu h THR 183 Ca -0.26 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 1xyu h THR 183 Cb 1.14 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1xyu h THR 183 CO -0.16 0.16 -0.44 0.58 0.37 0.00 0.00 175.52 176.03 1xyu h VAL 184 N 0.51 0.00 -0.18 3.16 2.07 -1.16 -1.85 116.25 118.81 1xyu h VAL 184 Ca 0.14 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1xyu h VAL 184 Cb 0.06 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.76 1xyu h VAL 184 CO -0.02 0.00 -0.53 0.50 0.02 0.00 0.00 177.57 177.53 1xyu h LYS 185 N -1.09 -0.53 0.00 1.57 3.11 -1.58 -0.09 116.57 117.97 1xyu h LYS 185 Ca -0.10 0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 1xyu h LYS 185 Cb 0.87 0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 32.22 1xyu h LYS 185 CO 0.10 -0.35 -0.07 1.96 -2.81 0.00 0.00 179.45 178.28 1xyu h GLN 186 N -0.55 0.00 0.39 1.90 1.08 -0.40 0.16 115.11 117.70 1xyu h GLN 186 Ca 0.05 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1xyu h GLN 186 Cb 0.67 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1xyu h GLN 186 CO -0.46 0.07 -0.19 1.25 -0.95 0.00 0.00 178.83 178.55 1xyu h HIS 187 N 0.00 -0.49 -0.36 2.96 2.76 -0.37 -1.34 115.15 118.31 1xyu h HIS 187 Ca -0.00 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1xyu h HIS 187 Cb 0.13 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1xyu h HIS 187 CO 0.00 -0.16 0.13 1.79 -1.30 0.00 0.00 177.93 178.39 1xyu h THR 188 N -0.87 1.15 0.28 6.26 1.35 0.01 0.25 112.91 121.34 1xyu h THR 188 Ca -0.05 -0.48 -0.01 0.00 -0.55 0.00 0.00 66.41 65.32 1xyu h THR 188 Cb 0.55 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1xyu h THR 188 CO 0.09 0.18 -0.13 0.58 -0.25 0.00 0.00 175.52 175.98 1xyu h VAL 189 N 0.50 0.76 -0.17 6.82 2.07 -0.81 -2.54 116.25 122.88 1xyu h VAL 189 Ca 0.12 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1xyu h VAL 189 Cb 0.13 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1xyu h VAL 189 CO -0.01 0.08 0.12 0.74 0.02 0.00 0.00 177.57 178.51 1xyu h THR 190 N -0.56 0.96 0.00 2.57 2.02 -0.28 -1.60 112.91 116.02 1xyu h THR 190 Ca -0.04 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1xyu h THR 190 Cb 0.41 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1xyu h THR 190 CO 0.06 0.02 0.00 0.74 0.37 0.00 0.00 175.52 176.71 1xyu h THR 191 N 0.09 0.00 -0.95 3.16 2.02 -0.14 -2.88 112.91 114.21 1xyu h THR 191 Ca 0.08 -0.38 0.16 0.00 0.77 0.00 0.00 66.41 67.04 1xyu h THR 191 Cb 0.19 1.23 -0.08 0.00 -1.74 0.00 0.00 68.15 67.75 1xyu h THR 191 CO -0.01 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.48 1xyu h THR 192 N 0.00 0.79 0.00 3.16 1.03 -0.95 0.14 112.91 117.08 1xyu h THR 192 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 1xyu h THR 192 Cb 0.48 -0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.56 1xyu h THR 192 CO 0.00 0.13 0.00 0.74 -0.01 0.00 0.00 175.52 176.38 1xyu h THR 193 N 0.73 0.00 0.00 0.00 2.02 -1.69 -2.49 112.91 111.48 1xyu h THR 193 Ca 0.50 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.56 1xyu h THR 193 Cb 0.79 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1xyu h THR 193 CO -0.26 0.00 -0.02 0.29 0.37 0.00 0.00 175.52 175.90 1xyu n LYS 194 N -2.45 2.04 -2.84 6.66 5.02 0.28 -4.98 118.16 121.88 1xyu n LYS 194 Ca -0.00 -1.91 -0.18 0.00 -2.02 0.00 0.00 58.31 54.20 1xyu n LYS 194 Cb 0.13 -1.18 0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1xyu n LYS 194 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xyu n GLY 195 N -0.87 -0.26 7.00 0.72 0.00 -0.94 -4.76 105.19 106.08 1xyu n GLY 195 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xyu n GLY 195 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xyu n GLU 196 N -3.32 0.00 0.00 1.61 4.71 0.03 -4.90 120.64 118.78 1xyu n GLU 196 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 1xyu n GLU 196 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.03 1xyu n GLU 196 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1xyu n ASN 197 N 2.68 0.00 -4.68 1.62 4.05 -1.26 -4.95 115.26 112.72 1xyu n ASN 197 Ca 0.00 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 54.66 1xyu n ASN 197 Cb 0.00 0.00 0.07 0.00 1.23 0.00 0.00 39.78 41.08 1xyu n ASN 197 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1xyu n PHE 198 N 0.00 1.42 -4.30 1.20 3.01 -1.26 -5.04 117.46 112.49 1xyu n PHE 198 Ca 0.00 0.42 -0.16 0.00 1.01 0.00 0.00 57.45 58.73 1xyu n PHE 198 Cb 0.00 -2.20 -0.10 0.00 -0.01 0.00 0.00 39.48 37.17 1xyu n PHE 198 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1xyu s THR 199 N -1.48 0.53 0.26 4.37 -4.23 -1.26 -4.98 115.64 108.85 1xyu s THR 199 Ca 0.80 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1xyu s THR 199 Cb -0.39 -2.54 0.25 0.00 1.34 0.00 0.00 72.50 71.16 1xyu s THR 199 CO 0.43 -0.08 1.83 -0.33 -0.54 0.00 0.00 174.62 175.94 1xyu h GLU 200 N 2.45 0.90 -0.31 3.99 5.08 -1.99 0.94 114.58 125.65 1xyu h GLU 200 Ca -0.38 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1xyu h GLU 200 Cb 1.24 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 1xyu h GLU 200 CO 0.61 0.60 -0.15 1.15 -1.00 0.00 0.00 179.01 180.22 1xyu h THR 201 N 0.93 0.55 -0.17 1.13 2.02 -1.99 -2.10 112.91 113.27 1xyu h THR 201 Ca 0.44 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.47 1xyu h THR 201 Cb 0.37 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1xyu h THR 201 CO -0.24 0.00 -0.45 -0.78 0.37 0.00 0.00 175.52 174.42 1xyu h ASP 202 N -0.10 0.69 -0.44 4.18 1.82 -1.35 -2.54 116.42 118.67 1xyu h ASP 202 Ca 0.16 -0.58 0.07 0.00 -0.39 0.00 0.00 57.03 56.29 1xyu h ASP 202 Cb 0.34 -0.20 -0.06 0.00 0.68 0.00 0.00 39.33 40.09 1xyu h ASP 202 CO -0.37 1.15 0.08 0.40 -1.61 0.00 0.00 179.24 178.89 1xyu h ILE 203 N 0.27 0.75 -0.35 2.25 1.08 -0.92 -0.56 117.51 120.03 1xyu h ILE 203 Ca -0.01 -0.07 -0.05 0.00 -0.39 0.00 0.00 64.86 64.34 1xyu h ILE 203 Cb 1.07 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 1xyu h ILE 203 CO 0.10 0.04 0.04 0.50 -0.69 0.00 0.00 178.15 178.14 1xyu h LYS 204 N 0.21 0.59 0.36 2.37 3.64 -1.15 0.14 116.57 122.73 1xyu h LYS 204 Ca 0.22 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1xyu h LYS 204 Cb 0.28 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1xyu h LYS 204 CO -0.29 0.68 -0.25 0.82 -2.27 0.00 0.00 179.45 178.13 1xyu h ILE 205 N 0.42 0.47 -0.59 2.00 2.04 -1.35 -2.72 117.51 117.79 1xyu h ILE 205 Ca 0.11 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.08 1xyu h ILE 205 Cb 0.38 0.47 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 1xyu h ILE 205 CO 0.01 0.00 0.12 -0.03 0.00 0.00 0.00 178.15 178.25 1xyu h MET 206 N -0.60 0.24 0.15 2.37 4.05 -0.68 -1.25 114.93 119.21 1xyu h MET 206 Ca -0.03 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1xyu h MET 206 Cb 0.51 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1xyu h MET 206 CO 0.01 0.16 -0.17 0.93 0.23 0.00 0.00 176.91 178.07 1xyu h GLU 207 N 0.25 -0.35 -0.95 0.39 5.08 -0.67 0.14 114.58 118.47 1xyu h GLU 207 Ca 0.31 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.76 1xyu h GLU 207 Cb 0.46 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1xyu h GLU 207 CO -0.40 -0.23 0.62 -0.09 -1.00 0.00 0.00 179.01 177.90 1xyu h ARG 208 N -0.36 1.07 0.68 2.33 2.43 -1.10 0.17 114.38 119.59 1xyu h ARG 208 Ca 0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1xyu h ARG 208 Cb 0.36 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1xyu h ARG 208 CO -0.06 0.71 -0.33 0.28 -1.51 0.00 0.00 179.97 179.06 1xyu h VAL 209 N 1.10 0.00 -0.84 0.20 2.07 -0.79 -3.04 116.25 114.96 1xyu h VAL 209 Ca 0.41 -0.11 0.18 0.00 0.82 0.00 0.00 66.70 68.00 1xyu h VAL 209 Cb 0.18 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.89 1xyu h VAL 209 CO -0.16 0.00 0.56 0.58 0.02 0.00 0.00 177.57 178.57 1xyu h VAL 210 N -1.02 0.72 -0.09 2.57 2.07 -0.43 -0.87 116.25 119.20 1xyu h VAL 210 Ca -0.09 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1xyu h VAL 210 Cb 0.70 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1xyu h VAL 210 CO 0.15 0.07 -0.25 -0.08 0.02 0.00 0.00 177.57 177.48 1xyu h GLU 211 N 0.39 -0.33 -0.64 1.57 4.81 -0.63 0.27 114.58 120.02 1xyu h GLU 211 Ca 0.42 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.64 1xyu h GLU 211 Cb 1.05 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1xyu h GLU 211 CO -0.14 -0.22 0.25 1.96 -0.73 0.00 0.00 179.01 180.13 1xyu h GLN 212 N -0.34 0.93 -0.05 1.92 1.08 -1.05 -0.92 115.11 116.68 1xyu h GLN 212 Ca 0.09 -0.15 -0.20 0.00 -1.45 0.00 0.00 58.65 56.94 1xyu h GLN 212 Cb 0.47 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1xyu h GLN 212 CO -0.28 0.76 -0.81 0.52 -0.95 0.00 0.00 178.83 178.07 1xyu h MET 213 N 0.92 0.39 -0.79 1.46 2.86 -0.99 -1.49 114.93 117.29 1xyu h MET 213 Ca 0.22 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1xyu h MET 213 Cb 0.18 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1xyu h MET 213 CO -0.02 1.02 0.47 0.00 1.06 0.00 0.00 176.91 179.44 1xyu h ILE 215 N 1.08 1.23 -0.52 0.00 2.04 -0.93 -0.82 117.51 119.60 1xyu h ILE 215 Ca 0.28 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 1xyu h ILE 215 Cb -0.04 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1xyu h ILE 215 CO -0.05 0.32 0.02 0.74 0.00 0.00 0.00 178.15 179.18 1xyu h THR 216 N 0.86 1.26 -0.48 -0.27 2.02 -0.78 -2.85 112.91 112.67 1xyu h THR 216 Ca 0.19 -1.07 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 1xyu h THR 216 Cb 0.31 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1xyu h THR 216 CO -0.00 0.38 0.02 -0.61 0.37 0.00 0.00 175.52 175.68 1xyu h GLN 217 N 0.78 0.83 -0.90 6.66 5.75 -0.39 -0.25 115.11 127.60 1xyu h GLN 217 Ca 0.15 -0.25 0.10 0.00 -0.15 0.00 0.00 58.65 58.50 1xyu h GLN 217 Cb 0.50 -0.08 -0.08 0.00 1.07 0.00 0.00 27.48 28.89 1xyu h GLN 217 CO 0.02 0.87 0.54 -0.92 -2.65 0.00 0.00 178.83 176.69 1xyu h TYR 218 N 0.69 0.97 -0.23 3.99 3.20 -1.23 -2.29 116.97 122.07 1xyu h TYR 218 Ca 0.14 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.87 1xyu h TYR 218 Cb 0.48 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 1xyu h TYR 218 CO 0.04 0.39 -0.53 1.96 -1.64 0.00 0.00 178.16 178.37 1xyu h GLN 219 N 0.88 0.67 0.44 1.82 4.20 -0.98 0.10 115.11 122.24 1xyu h GLN 219 Ca 0.44 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1xyu h GLN 219 Cb 0.41 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1xyu h GLN 219 CO -0.26 1.04 -0.31 0.00 -0.67 0.00 0.00 178.83 178.63 1xyu h ARG 220 N 0.52 -0.70 -0.23 1.46 3.08 -0.87 -1.01 114.38 116.63 1xyu h ARG 220 Ca 0.01 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1xyu h ARG 220 Cb 1.10 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1xyu h ARG 220 CO 0.11 -0.47 0.15 0.93 -1.07 0.00 0.00 179.97 179.62 1xyu h GLU 221 N -0.72 0.31 -0.59 0.04 4.39 -1.35 -3.09 114.58 113.56 1xyu h GLU 221 Ca -0.04 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.72 1xyu h GLU 221 Cb 0.61 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.12 1xyu h GLU 221 CO 0.02 0.23 0.22 1.03 -1.16 0.00 0.00 179.01 179.35 1xyu h SER 222 N 0.30 0.21 -0.40 1.42 0.87 -0.60 -1.20 113.55 114.15 1xyu h SER 222 Ca 0.08 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1xyu h SER 222 Cb -0.01 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 1xyu h SER 222 CO -0.02 0.13 0.13 -0.61 -0.53 0.00 0.00 176.83 175.93 1xyu h GLN 223 N 0.40 0.28 -0.30 2.24 4.15 -1.10 0.29 115.11 121.07 1xyu h GLN 223 Ca 0.30 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.74 1xyu h GLN 223 Cb 0.36 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 1xyu h GLN 223 CO -0.30 0.18 0.08 0.00 -1.93 0.00 0.00 178.83 176.87 1xyu h ALA 224 N 1.27 0.33 -0.05 3.38 0.00 -1.26 0.13 119.26 123.06 1xyu h ALA 224 Ca 0.19 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1xyu h ALA 224 Cb 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xyu h ALA 224 CO -0.20 -0.32 -0.44 -0.92 0.00 0.00 0.00 179.25 177.36 1xyu h TYR 225 N 0.20 0.13 0.01 0.00 3.20 -0.72 -1.83 116.97 117.96 1xyu h TYR 225 Ca 0.13 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1xyu h TYR 225 Cb 0.12 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1xyu h TYR 225 CO -0.15 0.53 -0.01 1.88 -1.64 0.00 0.00 178.16 178.78 1xyu h TYR 226 N 0.09 -0.02 0.09 -3.82 0.05 0.01 -3.36 116.97 110.01 1xyu h TYR 226 Ca 0.01 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1xyu h TYR 226 Cb 0.82 0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.56 1xyu h TYR 226 CO 0.01 0.43 -0.08 1.96 -1.05 0.00 0.00 178.16 179.43 1xyu h GLN 227 N -0.47 -0.16 -3.47 4.88 4.20 -0.53 -3.46 115.11 116.10 1xyu h GLN 227 Ca -0.00 0.01 -0.22 0.00 0.06 0.00 0.00 58.65 58.50 1xyu h GLN 227 Cb 0.45 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1xyu h GLN 227 CO 0.00 -0.11 -0.26 -2.13 -0.67 0.00 0.00 178.83 175.66 1xyu n ARG 228 N -2.73 -2.10 0.00 1.46 0.63 -0.71 -4.87 116.66 108.34 1xyu n ARG 228 Ca -0.02 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1xyu n ARG 228 Cb 0.08 -5.06 0.00 0.00 0.45 0.00 0.00 32.46 27.93 1xyu n ARG 228 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xyu n GLY 229 N -0.65 -0.04 3.18 5.14 0.00 -1.26 -5.11 105.19 106.45 1xyu n GLY 229 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1xyu n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyu s ALA 230 N -4.00 -0.64 0.00 4.61 0.00 -1.26 -5.28 121.76 115.20 1xyu s ALA 230 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1xyu s ALA 230 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1xyu s ALA 230 CO 0.00 -0.21 0.00 0.43 0.00 0.00 0.00 175.76 175.98