#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 4.53 -1.28 3.34 -7.23 -1.26 -4.89 120.40 113.61 1xyu s VAL 122 Ca 0.00 -3.33 0.30 0.00 -1.81 0.00 0.00 61.98 57.14 1xyu s VAL 122 Cb 0.00 -3.83 0.43 0.00 0.56 0.00 0.00 36.38 33.53 1xyu s VAL 122 CO 0.00 -1.02 2.01 0.61 -0.31 0.00 0.00 175.10 176.39 1xyu n GLY 123 N 2.97 -1.36 0.10 2.32 0.00 -1.26 -2.56 105.19 105.40 1xyu n GLY 123 Ca 0.16 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1xyu n GLY 123 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xyu h GLY 124 N 5.00 0.25 0.00 -0.02 0.00 -1.95 -3.32 103.07 103.04 1xyu h GLY 124 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 47.33 46.38 1xyu h GLY 124 CO 0.00 0.57 -2.19 1.04 0.00 0.00 0.00 176.54 175.96 1xyu n LEU 125 N -3.48 0.00 0.00 3.11 4.77 -1.26 -5.03 117.00 115.11 1xyu n LEU 125 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1xyu n LEU 125 Cb 1.02 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 42.51 1xyu n LEU 125 CO 0.52 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1xyu n GLY 126 N 1.89 1.94 0.10 -0.72 0.00 -1.06 -4.27 105.19 103.06 1xyu n GLY 126 Ca -0.27 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 -0.87 3.65 -0.02 0.00 -1.26 -4.71 105.19 101.97 1xyu n GLY 127 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.59 2.76 0.98 1.61 2.02 -1.26 -4.72 117.35 116.15 1xyu s TYR 128 Ca -0.10 0.94 -0.16 0.00 -0.37 0.00 0.00 57.07 57.38 1xyu s TYR 128 Cb 0.08 -3.66 0.21 0.00 -0.40 0.00 0.00 41.96 38.19 1xyu s TYR 128 CO 0.81 -1.75 1.33 0.00 -1.57 0.00 0.00 175.55 174.37 1xyu s MET 129 N 3.77 0.52 0.01 -0.62 0.23 0.53 -4.76 119.30 118.97 1xyu s MET 129 Ca 0.56 -0.45 0.08 0.00 -1.03 0.00 0.00 55.69 54.85 1xyu s MET 129 Cb -0.20 -1.84 -0.02 0.00 -1.53 0.00 0.00 34.83 31.24 1xyu s MET 129 CO 0.18 -2.49 -0.25 -1.17 -2.03 0.00 0.00 175.02 169.26 1xyu s LEU 130 N -5.92 2.10 -0.79 0.18 2.96 -1.26 -1.51 118.68 114.44 1xyu s LEU 130 Ca 0.75 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1xyu s LEU 130 Cb -0.03 -1.23 0.32 0.00 0.50 0.00 0.00 46.19 45.74 1xyu s LEU 130 CO 0.53 0.27 1.26 0.61 -1.32 0.00 0.00 176.35 177.70 1xyu n GLY 131 N 2.18 5.63 7.00 7.98 0.00 -1.18 -4.99 105.19 121.81 1xyu n GLY 131 Ca -0.16 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.15 1xyu n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xyu n SER 132 N 0.14 0.00 -4.18 1.61 7.64 -1.26 -4.83 113.62 112.74 1xyu n SER 132 Ca 0.35 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 60.12 1xyu n SER 132 Cb 0.34 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.44 1xyu n SER 132 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xyu s ALA 133 N -1.39 1.04 0.27 -0.43 0.00 -1.26 -4.61 121.76 115.37 1xyu s ALA 133 Ca 0.00 -1.51 -0.06 0.00 0.00 0.00 0.00 51.96 50.39 1xyu s ALA 133 Cb 0.00 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1xyu s ALA 133 CO 0.00 -0.42 0.39 0.00 0.00 0.00 0.00 175.76 175.74 1xyu s MET 134 N -3.99 1.59 0.34 0.00 0.23 0.70 -4.99 119.30 113.18 1xyu s MET 134 Ca 0.23 -1.52 -0.04 0.00 -1.03 0.00 0.00 55.69 53.33 1xyu s MET 134 Cb 0.07 0.41 0.08 0.00 -1.53 0.00 0.00 34.83 33.86 1xyu s MET 134 CO 0.02 -0.64 0.46 0.45 -2.03 0.00 0.00 175.02 173.29 1xyu n SER 135 N -0.72 0.18 -4.74 -1.18 2.88 -1.26 -4.66 113.62 104.12 1xyu n SER 135 Ca 0.00 -1.26 -0.41 0.00 -1.33 0.00 0.00 58.87 55.88 1xyu n SER 135 Cb 0.63 -0.34 -0.04 0.00 -0.75 0.00 0.00 64.21 63.70 1xyu n SER 135 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1xyu s ARG 136 N -3.88 4.66 0.00 -1.46 1.81 -1.26 -4.95 118.95 113.88 1xyu s ARG 136 Ca 0.27 1.63 0.19 0.00 -1.72 0.00 0.00 55.73 56.10 1xyu s ARG 136 Cb -0.01 -3.29 0.88 0.00 -0.45 0.00 0.00 34.95 32.08 1xyu s ARG 136 CO 0.19 0.19 1.58 -0.35 -0.68 0.00 0.00 175.30 176.23 1xyu n PRO 137 N 2.24 0.16 -3.11 3.54 -0.04 -1.26 -4.97 135.00 131.56 1xyu n PRO 137 Ca 0.02 0.14 -0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1xyu n PRO 137 Cb 0.47 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1xyu n PRO 137 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xyu n LEU 138 N -1.37 -4.29 -4.88 1.53 0.00 -1.26 -4.96 117.00 101.76 1xyu n LEU 138 Ca 0.07 0.69 -0.30 0.00 0.00 0.00 0.00 56.01 56.48 1xyu n LEU 138 Cb 0.18 -1.76 0.05 0.00 0.00 0.00 0.00 43.42 41.89 1xyu n LEU 138 CO 0.15 -2.01 0.76 -0.63 0.00 0.00 0.00 177.39 175.66 1xyu s ILE 139 N -0.77 3.28 -0.57 1.96 -1.09 -1.26 -5.02 121.20 117.73 1xyu s ILE 139 Ca -0.01 0.41 -0.23 0.00 -2.23 0.00 0.00 60.65 58.60 1xyu s ILE 139 Cb 0.00 -3.41 0.05 0.00 -1.58 0.00 0.00 42.46 37.53 1xyu s ILE 139 CO 0.09 -0.54 0.89 -1.38 -1.23 0.00 0.00 174.94 172.76 1xyu s HIS 140 N -3.39 2.81 0.00 3.97 -3.43 -1.26 -4.86 115.29 109.13 1xyu s HIS 140 Ca 0.59 -0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.59 1xyu s HIS 140 Cb -0.11 -4.03 0.00 0.00 -1.43 0.00 0.00 32.58 27.01 1xyu s HIS 140 CO 0.51 -1.37 0.00 1.19 -2.00 0.00 0.00 174.74 173.07 1xyu n PHE 141 N 7.28 0.00 -3.49 0.38 3.72 -1.26 -5.02 117.46 119.07 1xyu n PHE 141 Ca -0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.14 1xyu n PHE 141 Cb 0.46 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.07 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 3.47 -0.54 0.00 1.37 0.00 -1.26 -4.92 105.19 103.31 1xyu n GLY 142 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.88 0.00 0.00 1.61 3.02 -1.26 -4.91 115.26 110.84 1xyu n ASN 143 Ca -0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.52 1xyu n ASN 143 Cb 0.57 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.74 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 0.30 -0.03 6.41 8.00 -1.26 -4.82 116.55 125.15 1xyu n ASP 144 Ca 0.00 0.04 -0.08 0.00 0.71 0.00 0.00 54.79 55.47 1xyu n ASP 144 Cb 0.00 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 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 -3.16 0.00 -0.30 1.24 4.11 -1.26 -4.62 117.16 113.18 1xyu n TYR 145 Ca -0.03 0.00 0.25 0.00 -0.00 0.00 0.00 57.90 58.12 1xyu n TYR 145 Cb 0.43 -0.25 0.57 0.00 -0.00 0.00 0.00 39.34 40.09 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 -0.25 0.28 -0.96 -3.48 3.07 -1.94 0.31 114.58 111.61 1xyu h GLU 146 Ca -0.18 -0.02 0.21 0.00 -0.50 0.00 0.00 59.36 58.87 1xyu h GLU 146 Cb 1.15 -0.06 -0.18 0.00 -0.84 0.00 0.00 28.75 28.81 1xyu h GLU 146 CO -0.11 0.19 -0.18 0.22 -1.40 0.00 0.00 179.01 177.72 1xyu h ASP 147 N 0.29 -0.80 0.00 1.42 3.58 -1.88 -1.54 116.42 117.49 1xyu h ASP 147 Ca 0.56 0.28 -0.07 0.00 0.42 0.00 0.00 57.03 58.23 1xyu h ASP 147 Cb 1.62 0.57 -0.01 0.00 1.72 0.00 0.00 39.33 43.23 1xyu h ASP 147 CO -0.20 -0.32 -1.25 -1.14 -2.88 0.00 0.00 179.24 173.45 1xyu n ARG 148 N -5.58 0.11 -0.25 0.28 3.00 -0.10 -4.37 116.66 109.74 1xyu n ARG 148 Ca 0.16 0.03 0.06 0.00 -0.00 0.00 0.00 57.85 58.10 1xyu n ARG 148 Cb 0.53 -1.05 0.19 0.00 0.00 0.00 0.00 32.46 32.13 1xyu n ARG 148 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1xyu h TYR 149 N -0.01 0.25 0.17 -0.14 3.20 -0.59 -0.11 116.97 119.74 1xyu h TYR 149 Ca -0.10 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.82 1xyu h TYR 149 Cb 1.15 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 1xyu h TYR 149 CO 0.00 -0.11 -0.18 -0.92 -1.64 0.00 0.00 178.16 175.31 1xyu h TYR 150 N 0.25 -0.47 -0.94 -3.82 3.20 -1.46 -1.12 116.97 112.61 1xyu h TYR 150 Ca 0.43 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.48 1xyu h TYR 150 Cb 0.75 0.19 -0.08 0.00 1.54 0.00 0.00 36.73 39.13 1xyu h TYR 150 CO -0.28 -0.27 0.60 0.00 -1.64 0.00 0.00 178.16 176.57 1xyu h ARG 151 N -0.39 0.62 0.00 1.82 2.47 -1.28 0.20 114.38 117.82 1xyu h ARG 151 Ca 0.01 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1xyu h ARG 151 Cb 0.37 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1xyu h ARG 151 CO -0.05 0.41 -0.08 0.93 0.56 0.00 0.00 179.97 181.73 1xyu h GLU 152 N 0.64 0.00 -0.00 0.04 5.08 -0.67 -3.35 114.58 116.32 1xyu h GLU 152 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1xyu h GLU 152 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1xyu h GLU 152 CO -0.25 0.08 -0.01 0.09 -1.00 0.00 0.00 179.01 177.92 1xyu n ASN 153 N -3.12 0.96 -0.34 1.42 3.02 0.12 -4.74 115.26 112.58 1xyu n ASN 153 Ca 0.03 -0.98 0.19 0.00 -0.03 0.00 0.00 54.58 53.80 1xyu n ASN 153 Cb 0.55 0.16 0.41 0.00 -0.61 0.00 0.00 39.78 40.29 1xyu n ASN 153 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1xyu h MET 154 N 0.27 0.50 -0.94 3.52 2.86 -0.86 -1.77 114.93 118.51 1xyu h MET 154 Ca 0.00 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1xyu h MET 154 Cb 0.06 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.55 1xyu h MET 154 CO 0.00 0.33 0.62 0.10 1.06 0.00 0.00 176.91 179.02 1xyu h TYR 155 N 0.51 1.13 0.00 -0.22 -0.00 -1.87 -2.94 116.97 113.59 1xyu h TYR 155 Ca 0.66 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 59.42 1xyu h TYR 155 Cb 1.35 -0.38 0.00 0.00 -0.00 0.00 0.00 36.73 37.70 1xyu h TYR 155 CO -0.01 0.63 0.00 2.89 -0.00 0.00 0.00 178.16 181.68 1xyu n ARG 156 N -4.46 0.47 -2.76 0.10 1.85 -0.66 -4.83 116.66 106.36 1xyu n ARG 156 Ca 0.13 0.04 -0.23 0.00 -1.00 0.00 0.00 57.85 56.79 1xyu n ARG 156 Cb 0.14 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.07 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 -2.44 3.13 0.80 2.89 2.02 -1.11 -5.07 117.35 117.57 1xyu s TYR 157 Ca 0.27 0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 57.13 1xyu s TYR 157 Cb 0.17 -2.53 0.07 0.00 -0.40 0.00 0.00 41.96 39.28 1xyu s TYR 157 CO 0.37 -0.61 1.12 -1.25 -1.57 0.00 0.00 175.55 173.61 1xyu s PRO 158 N -4.71 1.96 -0.10 -1.71 0.04 -1.26 -4.95 135.00 124.27 1xyu s PRO 158 Ca 0.52 1.33 0.16 0.00 0.04 0.00 0.00 61.00 63.05 1xyu s PRO 158 Cb -0.10 -1.85 0.55 0.00 0.04 0.00 0.00 34.50 33.14 1xyu s PRO 158 CO 0.40 -1.89 1.47 0.27 0.04 0.00 0.00 177.00 177.28 1xyu n ASN 159 N -3.56 4.01 -3.80 6.66 6.94 -1.26 -4.99 115.26 119.25 1xyu n ASN 159 Ca 0.10 -2.48 -0.12 0.00 -0.02 0.00 0.00 54.58 52.07 1xyu n ASN 159 Cb 0.52 -0.47 -0.06 0.00 -2.36 0.00 0.00 39.78 37.41 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 -1.87 1.58 0.01 -3.83 -0.21 -1.26 -0.22 119.66 113.86 1xyu s GLN 160 Ca 0.41 -1.51 -0.02 0.00 0.02 0.00 0.00 55.36 54.25 1xyu s GLN 160 Cb 0.27 0.41 -0.01 0.00 1.00 0.00 0.00 33.01 34.68 1xyu s GLN 160 CO 0.18 -0.63 0.02 0.14 -2.12 0.00 0.00 175.29 172.88 1xyu s VAL 161 N -3.74 0.10 0.60 1.09 -7.23 -1.26 -5.01 120.40 104.95 1xyu s VAL 161 Ca 0.29 -0.81 -0.07 0.00 -1.81 0.00 0.00 61.98 59.58 1xyu s VAL 161 Cb 0.01 -0.30 0.00 0.00 0.56 0.00 0.00 36.38 36.65 1xyu s VAL 161 CO 0.14 -0.45 0.93 -0.31 -0.31 0.00 0.00 175.10 175.10 1xyu s TYR 162 N -1.38 3.32 -0.10 2.82 2.02 -1.26 -3.08 117.35 119.68 1xyu s TYR 162 Ca -0.15 0.77 -0.33 0.00 -0.37 0.00 0.00 57.07 57.00 1xyu s TYR 162 Cb -0.09 -2.75 0.13 0.00 -0.40 0.00 0.00 41.96 38.84 1xyu s TYR 162 CO -0.00 -0.83 1.22 1.52 -1.57 0.00 0.00 175.55 175.89 1xyu s TYR 163 N -3.04 -0.10 0.33 2.71 1.13 -0.57 -4.79 117.35 113.03 1xyu s TYR 163 Ca 0.54 0.01 -0.04 0.00 -1.41 0.00 0.00 57.07 56.17 1xyu s TYR 163 Cb -0.11 0.53 -0.05 0.00 -1.10 0.00 0.00 41.96 41.24 1xyu s TYR 163 CO 0.47 -0.27 0.59 1.03 -2.51 0.00 0.00 175.55 174.87 1xyu s ARG 164 N -2.47 3.60 0.64 -3.49 0.52 -1.26 -0.35 118.95 116.13 1xyu s ARG 164 Ca 0.11 -0.01 -0.16 0.00 -0.52 0.00 0.00 55.73 55.15 1xyu s ARG 164 Cb 0.01 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.87 1xyu s ARG 164 CO -0.04 0.13 1.13 -1.25 0.02 0.00 0.00 175.30 175.29 1xyu s PRO 165 N -3.88 2.88 0.16 3.54 0.04 -1.26 -4.94 135.00 131.54 1xyu s PRO 165 Ca 0.44 1.49 0.19 0.00 0.04 0.00 0.00 61.00 63.16 1xyu s PRO 165 Cb -0.10 -1.95 0.82 0.00 0.04 0.00 0.00 34.50 33.31 1xyu s PRO 165 CO 0.33 -1.20 1.59 1.33 0.04 0.00 0.00 177.00 179.09 1xyu n VAL 166 N -2.15 0.94 0.05 -0.36 0.24 -1.26 -2.26 118.33 113.52 1xyu n VAL 166 Ca 0.11 0.27 0.01 0.00 -2.04 0.00 0.00 64.34 62.69 1xyu n VAL 166 Cb 0.51 -1.14 0.35 0.00 -1.47 0.00 0.00 33.84 32.09 1xyu n VAL 166 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1xyu h ASP 167 N 0.00 0.38 0.45 -1.34 3.04 -1.97 -3.03 116.42 113.95 1xyu h ASP 167 Ca 0.00 -0.07 -0.02 0.00 -3.24 0.00 0.00 57.03 53.70 1xyu h ASP 167 Cb 0.29 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.49 1xyu h ASP 167 CO 0.00 0.47 -0.22 -0.74 -2.04 0.00 0.00 179.24 176.71 1xyu h HIS 168 N 0.40 -0.56 -3.34 4.15 2.76 -1.84 -3.44 115.15 113.28 1xyu h HIS 168 Ca 0.09 -0.01 -0.29 0.00 -2.20 0.00 0.00 60.37 57.95 1xyu h HIS 168 Cb 0.31 0.18 -0.34 0.00 1.55 0.00 0.00 27.41 29.11 1xyu h HIS 168 CO 0.01 -0.29 -0.68 1.52 -1.30 0.00 0.00 177.93 177.20 1xyu s TYR 169 N -3.82 -0.06 -0.18 5.26 1.13 -1.24 -5.12 117.35 113.33 1xyu s TYR 169 Ca -0.11 0.33 -0.29 0.00 -1.41 0.00 0.00 57.07 55.59 1xyu s TYR 169 Cb 0.01 -0.23 -0.01 0.00 -1.10 0.00 0.00 41.96 40.63 1xyu s TYR 169 CO 0.35 -0.16 1.18 -1.54 -2.51 0.00 0.00 175.55 172.87 1xyu s SER 170 N 1.45 7.01 -0.07 -0.18 1.04 -1.14 -4.50 113.70 117.30 1xyu s SER 170 Ca -0.05 1.60 -0.18 0.00 0.48 0.00 0.00 55.95 57.79 1xyu s SER 170 Cb -0.12 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.50 1xyu s SER 170 CO -0.04 -0.71 0.42 0.20 0.98 0.00 0.00 173.24 174.08 1xyu s ASN 171 N 1.68 -0.37 -0.00 7.02 0.02 -1.26 -5.05 114.94 116.98 1xyu s ASN 171 Ca 0.51 0.47 -0.01 0.00 -1.02 0.00 0.00 52.86 52.81 1xyu s ASN 171 Cb -0.20 0.55 -0.00 0.00 0.02 0.00 0.00 41.25 41.62 1xyu s ASN 171 CO 0.12 -0.38 0.33 -0.61 0.02 0.00 0.00 177.10 176.59 1xyu h GLN 172 N 4.22 -0.03 -0.08 -0.60 5.75 -1.98 -3.37 115.11 119.02 1xyu h GLN 172 Ca -0.28 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.14 1xyu h GLN 172 Cb 1.17 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 1xyu h GLN 172 CO 0.34 -0.02 -0.33 -0.97 -2.65 0.00 0.00 178.83 175.20 1xyu h ASN 173 N -0.07 0.15 0.55 -0.69 -1.24 -1.99 -0.77 115.58 111.53 1xyu h ASN 173 Ca -0.00 -0.05 -0.13 0.00 0.71 0.00 0.00 56.30 56.82 1xyu h ASN 173 Cb 0.02 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1xyu h ASN 173 CO 0.00 0.49 -0.61 -1.13 -1.29 0.00 0.00 177.43 174.89 1xyu h ASN 174 N 0.13 0.06 0.77 1.15 -1.24 -1.97 -1.49 115.58 112.99 1xyu h ASN 174 Ca 0.02 -0.04 -0.04 0.00 0.71 0.00 0.00 56.30 56.95 1xyu h ASN 174 Cb 0.66 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.70 1xyu h ASN 174 CO 0.05 0.66 -0.37 -0.26 -1.29 0.00 0.00 177.43 176.22 1xyu h PHE 175 N 0.04 -0.95 -0.01 0.67 -1.00 -1.33 -0.89 116.94 113.47 1xyu h PHE 175 Ca -0.01 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1xyu h PHE 175 Cb 1.09 0.32 -0.00 0.00 3.61 0.00 0.00 35.95 40.96 1xyu h PHE 175 CO 0.01 -0.58 0.01 0.28 -1.61 0.00 0.00 178.31 176.42 1xyu h VAL 176 N -1.15 0.63 0.07 -0.55 2.07 -1.09 0.37 116.25 116.61 1xyu h VAL 176 Ca -0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1xyu h VAL 176 Cb 0.81 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1xyu h VAL 176 CO 0.17 0.00 -0.04 -0.74 0.02 0.00 0.00 177.57 176.99 1xyu h HIS 177 N 0.00 -0.09 -0.50 1.57 -0.00 -1.25 -3.29 115.15 111.60 1xyu h HIS 177 Ca 0.01 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.44 1xyu h HIS 177 Cb 0.03 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.44 1xyu h HIS 177 CO 0.00 -0.06 0.33 0.22 -0.00 0.00 0.00 177.93 178.43 1xyu h ASP 178 N -0.26 0.34 -0.34 3.26 1.82 -0.37 -0.89 116.42 119.97 1xyu h ASP 178 Ca -0.01 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.52 1xyu h ASP 178 Cb 0.08 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 1xyu h ASP 178 CO 0.02 0.22 -0.22 0.00 -1.61 0.00 0.00 179.24 177.64 1xyu h VAL 180 N 0.53 1.27 -0.95 0.00 2.07 -1.36 0.26 116.25 118.06 1xyu h VAL 180 Ca 0.07 -0.89 0.16 0.00 0.82 0.00 0.00 66.70 66.86 1xyu h VAL 180 Cb 0.77 1.58 -0.10 0.00 -1.52 0.00 0.00 31.29 32.03 1xyu h VAL 180 CO 0.06 0.26 0.56 -1.13 0.02 0.00 0.00 177.57 177.34 1xyu h ASN 181 N -0.02 0.73 0.00 0.57 -1.24 -1.06 0.24 115.58 114.79 1xyu h ASN 181 Ca 0.04 0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.10 1xyu h ASN 181 Cb 0.40 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.40 1xyu h ASN 181 CO 0.01 0.31 -0.17 0.40 -1.29 0.00 0.00 177.43 176.69 1xyu h ILE 182 N 0.77 1.31 -0.33 2.57 1.08 -0.73 -3.05 117.51 119.13 1xyu h ILE 182 Ca 0.52 -2.04 0.01 0.00 -0.39 0.00 0.00 64.86 62.96 1xyu h ILE 182 Cb 0.72 2.53 -0.02 0.00 -3.07 0.00 0.00 36.82 36.99 1xyu h ILE 182 CO -0.35 0.44 0.21 0.74 -0.69 0.00 0.00 178.15 178.50 1xyu h THR 183 N -1.00 1.06 0.25 -0.27 2.02 -0.07 0.38 112.91 115.28 1xyu h THR 183 Ca -0.04 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1xyu h THR 183 Cb 0.84 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1xyu h THR 183 CO -0.03 0.08 -0.22 0.58 0.37 0.00 0.00 175.52 176.30 1xyu h VAL 184 N 0.42 0.52 -0.41 3.16 2.07 -1.16 -1.54 116.25 119.32 1xyu h VAL 184 Ca 0.12 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.72 1xyu h VAL 184 Cb -0.03 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.20 1xyu h VAL 184 CO -0.04 0.00 -0.01 0.50 0.02 0.00 0.00 177.57 178.04 1xyu h LYS 185 N -0.49 0.09 -0.70 1.57 3.64 -1.32 -0.66 116.57 118.70 1xyu h LYS 185 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xyu h LYS 185 Cb 0.45 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1xyu h LYS 185 CO -0.03 0.06 0.44 0.37 -2.27 0.00 0.00 179.45 178.02 1xyu h GLN 186 N 0.09 0.93 -0.12 1.90 -0.00 0.00 0.22 115.11 118.14 1xyu h GLN 186 Ca 0.20 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.77 1xyu h GLN 186 Cb 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 27.48 27.57 1xyu h GLN 186 CO -0.35 0.64 0.03 0.45 0.00 0.00 0.00 178.83 179.59 1xyu h HIS 187 N 0.96 0.20 -0.66 3.99 3.86 -0.31 -0.88 115.15 122.31 1xyu h HIS 187 Ca 0.25 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1xyu h HIS 187 Cb -0.08 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 1xyu h HIS 187 CO 0.00 0.36 0.37 1.79 0.86 0.00 0.00 177.93 181.31 1xyu h THR 188 N -0.01 1.20 0.58 2.45 1.35 -0.32 -2.42 112.91 115.74 1xyu h THR 188 Ca 0.04 -0.50 -0.02 0.00 -0.55 0.00 0.00 66.41 65.38 1xyu h THR 188 Cb 0.26 0.33 -0.02 0.00 -1.73 0.00 0.00 68.15 67.00 1xyu h THR 188 CO 0.00 0.22 -0.50 0.58 -0.25 0.00 0.00 175.52 175.57 1xyu h VAL 189 N 0.90 0.02 -0.80 6.82 2.07 -0.57 0.27 116.25 124.95 1xyu h VAL 189 Ca 0.23 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.98 1xyu h VAL 189 Cb 0.02 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 1xyu h VAL 189 CO -0.04 0.00 0.57 0.74 0.02 0.00 0.00 177.57 178.86 1xyu h THR 190 N -1.06 0.61 0.00 2.57 2.02 -1.07 -0.53 112.91 115.46 1xyu h THR 190 Ca -0.07 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1xyu h THR 190 Cb 0.90 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1xyu h THR 190 CO -0.02 0.01 -0.96 0.41 0.37 0.00 0.00 175.52 175.32 1xyu n THR 191 N -4.32 0.00 -0.09 3.16 -1.04 -0.82 -4.46 114.28 106.71 1xyu n THR 191 Ca 0.16 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.05 62.06 1xyu n THR 191 Cb 0.84 0.83 -0.01 0.00 -1.82 0.00 0.00 70.33 70.17 1xyu n THR 191 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xyu h THR 192 N 0.00 1.08 -0.52 12.58 1.03 0.12 0.27 112.91 127.48 1xyu h THR 192 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1xyu h THR 192 Cb 0.52 0.61 -0.03 0.00 -1.07 0.00 0.00 68.15 68.19 1xyu h THR 192 CO 0.00 0.08 0.34 0.74 -0.01 0.00 0.00 175.52 176.67 1xyu h THR 193 N 0.43 1.13 0.00 0.00 2.02 -1.78 -1.61 112.91 113.10 1xyu h THR 193 Ca 0.12 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1xyu h THR 193 Cb -0.05 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1xyu h THR 193 CO -0.03 0.13 0.00 0.29 0.37 0.00 0.00 175.52 176.28 1xyu n LYS 194 N -4.46 0.85 -0.26 6.66 5.02 0.14 -4.87 118.16 121.24 1xyu n LYS 194 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1xyu n LYS 194 Cb 0.05 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.81 0.86 7.00 0.72 0.00 -0.61 -4.92 105.19 109.05 1xyu n GLY 195 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.26 0.00 0.00 1.61 1.02 0.73 -4.97 120.64 116.78 1xyu n GLU 196 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xyu n GLU 196 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1xyu n GLU 196 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xyu n ASN 197 N -3.34 0.00 -4.77 1.62 5.15 -1.26 -4.93 115.26 107.72 1xyu n ASN 197 Ca 0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.58 1xyu n ASN 197 Cb 0.00 0.26 0.02 0.00 -0.53 0.00 0.00 39.78 39.53 1xyu n ASN 197 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1xyu s PHE 198 N -1.60 2.46 0.44 1.20 0.08 -1.26 -5.03 117.98 114.27 1xyu s PHE 198 Ca 0.00 1.26 0.08 0.00 0.12 0.00 0.00 56.93 58.39 1xyu s PHE 198 Cb 0.00 -3.92 0.01 0.00 -0.57 0.00 0.00 43.02 38.54 1xyu s PHE 198 CO 0.00 -2.93 0.52 0.95 -0.10 0.00 0.00 175.22 173.66 1xyu s THR 199 N -1.20 2.74 0.20 0.64 -4.23 -1.26 -4.90 115.64 107.63 1xyu s THR 199 Ca 0.61 -1.14 -0.09 0.00 -1.18 0.00 0.00 61.69 59.88 1xyu s THR 199 Cb -0.44 -2.88 0.13 0.00 1.34 0.00 0.00 72.50 70.65 1xyu s THR 199 CO 0.56 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 176.32 1xyu h GLU 200 N 0.74 1.09 -0.32 3.99 4.81 -1.99 0.15 114.58 123.05 1xyu h GLU 200 Ca -0.39 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1xyu h GLU 200 Cb 1.28 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1xyu h GLU 200 CO 0.50 0.89 0.21 1.15 -0.73 0.00 0.00 179.01 181.03 1xyu h THR 201 N 1.04 1.08 -0.57 0.32 2.02 -1.99 -1.22 112.91 113.59 1xyu h THR 201 Ca 0.24 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.18 1xyu h THR 201 Cb 0.21 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1xyu h THR 201 CO -0.02 0.08 0.02 -0.78 0.37 0.00 0.00 175.52 175.19 1xyu h ASP 202 N 0.43 0.95 0.07 4.18 3.58 -1.53 -0.02 116.42 124.08 1xyu h ASP 202 Ca 0.12 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 1xyu h ASP 202 Cb -0.05 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.75 1xyu h ASP 202 CO -0.03 0.99 -0.03 0.40 -2.88 0.00 0.00 179.24 177.70 1xyu h ILE 203 N 0.90 0.95 -0.62 2.25 1.08 -0.73 -1.38 117.51 119.95 1xyu h ILE 203 Ca 0.17 -0.05 -0.08 0.00 -0.39 0.00 0.00 64.86 64.51 1xyu h ILE 203 Cb 0.50 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 1xyu h ILE 203 CO 0.02 0.01 0.09 0.11 -0.69 0.00 0.00 178.15 177.69 1xyu h LYS 204 N -0.12 1.03 -0.31 2.37 1.57 -0.46 0.87 116.57 121.54 1xyu h LYS 204 Ca -0.01 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1xyu h LYS 204 Cb 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1xyu h LYS 204 CO 0.02 0.97 0.20 0.82 -0.57 0.00 0.00 179.45 180.88 1xyu h ILE 205 N 0.94 1.07 -0.21 1.86 2.04 -1.04 -1.58 117.51 120.58 1xyu h ILE 205 Ca 0.19 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1xyu h ILE 205 Cb 0.45 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1xyu h ILE 205 CO 0.01 0.07 -0.14 -0.03 0.00 0.00 0.00 178.15 178.07 1xyu h MET 206 N 0.41 -0.13 -0.32 2.37 4.05 -0.83 -1.36 114.93 119.12 1xyu h MET 206 Ca 0.11 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.60 1xyu h MET 206 Cb -0.04 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.74 1xyu h MET 206 CO -0.03 -0.09 -0.03 0.93 0.23 0.00 0.00 176.91 177.93 1xyu h GLU 207 N -0.13 0.06 -0.48 0.39 5.08 -0.38 0.45 114.58 119.56 1xyu h GLU 207 Ca 0.12 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xyu h GLU 207 Cb 0.31 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1xyu h GLU 207 CO -0.29 0.04 0.29 -0.09 -1.00 0.00 0.00 179.01 177.96 1xyu h ARG 208 N 0.06 0.66 0.51 2.33 2.43 -1.13 -1.49 114.38 117.74 1xyu h ARG 208 Ca 0.16 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1xyu h ARG 208 Cb 0.22 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1xyu h ARG 208 CO -0.29 0.48 -0.38 0.28 -1.51 0.00 0.00 179.97 178.56 1xyu h VAL 209 N 0.64 0.23 0.00 0.20 2.07 -0.25 -2.72 116.25 116.42 1xyu h VAL 209 Ca 0.17 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 1xyu h VAL 209 Cb 0.00 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1xyu h VAL 209 CO -0.03 0.00 -0.14 -0.37 0.02 0.00 0.00 177.57 177.05 1xyu h VAL 210 N -0.87 0.49 -0.06 2.57 -1.51 -0.90 -1.94 116.25 114.03 1xyu h VAL 210 Ca -0.05 -0.68 0.04 0.00 -1.23 0.00 0.00 66.70 64.77 1xyu h VAL 210 Cb 0.73 1.47 -0.06 0.00 -2.13 0.00 0.00 31.29 31.30 1xyu h VAL 210 CO 0.01 0.13 -0.35 -0.08 -1.23 0.00 0.00 177.57 176.05 1xyu h GLU 211 N 0.00 -0.46 -0.62 5.19 4.81 -0.96 0.24 114.58 122.77 1xyu h GLU 211 Ca -0.00 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1xyu h GLU 211 Cb 0.46 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1xyu h GLU 211 CO 0.02 -0.30 0.26 1.96 -0.73 0.00 0.00 179.01 180.21 1xyu h GLN 212 N -0.47 0.93 -0.69 1.92 1.08 -1.20 -1.88 115.11 114.80 1xyu h GLN 212 Ca 0.07 -0.16 -0.08 0.00 -1.45 0.00 0.00 58.65 57.03 1xyu h GLN 212 Cb 0.58 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1xyu h GLN 212 CO -0.32 0.78 0.13 0.52 -0.95 0.00 0.00 178.83 178.99 1xyu h MET 213 N 0.87 1.13 -0.39 1.46 2.86 -0.89 -2.44 114.93 117.53 1xyu h MET 213 Ca 0.21 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1xyu h MET 213 Cb 0.19 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1xyu h MET 213 CO -0.02 1.02 -0.06 0.00 1.06 0.00 0.00 176.91 178.91 1xyu h ILE 215 N 0.60 1.00 -0.64 0.00 2.04 -1.04 -0.48 117.51 119.00 1xyu h ILE 215 Ca 0.12 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1xyu h ILE 215 Cb 0.46 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1xyu h ILE 215 CO 0.02 0.12 0.33 0.74 0.00 0.00 0.00 178.15 179.36 1xyu h THR 216 N 0.63 1.21 0.00 -0.27 2.02 -0.85 -2.04 112.91 113.62 1xyu h THR 216 Ca 0.25 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1xyu h THR 216 Cb 0.10 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1xyu h THR 216 CO -0.14 0.24 -0.00 -0.61 0.37 0.00 0.00 175.52 175.38 1xyu h GLN 217 N 0.88 -0.00 -0.95 6.66 5.75 -0.48 -0.62 115.11 126.34 1xyu h GLN 217 Ca 0.22 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.79 1xyu h GLN 217 Cb 0.08 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.57 1xyu h GLN 217 CO -0.03 0.04 0.61 -0.92 -2.65 0.00 0.00 178.83 175.87 1xyu h TYR 218 N -0.04 1.13 -0.51 3.99 3.20 -1.08 -1.38 116.97 122.28 1xyu h TYR 218 Ca -0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1xyu h TYR 218 Cb 0.04 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 37.92 1xyu h TYR 218 CO -0.07 0.58 -0.04 1.96 -1.64 0.00 0.00 178.16 178.95 1xyu h GLN 219 N 1.10 0.88 0.49 1.82 4.20 -0.57 0.23 115.11 123.27 1xyu h GLN 219 Ca 0.41 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1xyu h GLN 219 Cb 0.16 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xyu h GLN 219 CO -0.17 0.91 -0.23 0.00 -0.67 0.00 0.00 178.83 178.66 1xyu h ARG 220 N 0.81 -0.63 -0.60 1.46 3.08 -0.80 -0.71 114.38 116.99 1xyu h ARG 220 Ca 0.14 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1xyu h ARG 220 Cb 0.54 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1xyu h ARG 220 CO 0.03 -0.40 0.10 0.93 -1.07 0.00 0.00 179.97 179.56 1xyu h GLU 221 N -0.69 0.99 -0.75 0.04 5.08 -0.92 -1.42 114.58 116.91 1xyu h GLU 221 Ca -0.07 -0.27 0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1xyu h GLU 221 Cb 0.52 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 1xyu h GLU 221 CO 0.11 0.94 0.32 1.03 -1.00 0.00 0.00 179.01 180.41 1xyu h SER 222 N 0.90 0.34 0.12 1.42 0.87 -0.56 0.18 113.55 116.82 1xyu h SER 222 Ca 0.18 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.86 1xyu h SER 222 Cb 0.42 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 1xyu h SER 222 CO 0.01 0.15 -0.30 -0.61 -0.53 0.00 0.00 176.83 175.56 1xyu h GLN 223 N 0.50 -0.50 0.00 2.24 4.15 -0.04 0.23 115.11 121.69 1xyu h GLN 223 Ca 0.40 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.84 1xyu h GLN 223 Cb 0.57 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.37 1xyu h GLN 223 CO -0.37 -0.33 -0.08 0.00 -1.93 0.00 0.00 178.83 176.13 1xyu h ALA 224 N 0.17 1.71 0.00 3.38 0.00 -0.92 0.05 119.26 123.65 1xyu h ALA 224 Ca 0.03 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1xyu h ALA 224 Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1xyu h ALA 224 CO -0.17 0.10 -0.85 -0.92 0.00 0.00 0.00 179.25 177.40 1xyu h TYR 225 N 0.00 0.00 0.00 0.00 3.20 -0.23 -3.38 116.97 116.55 1xyu h TYR 225 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xyu h TYR 225 Cb 0.15 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1xyu h TYR 225 CO 0.00 0.61 -0.16 1.88 -1.64 0.00 0.00 178.16 178.85 1xyu h TYR 226 N 0.00 0.00 -2.21 -3.82 0.05 0.06 -3.49 116.97 107.56 1xyu h TYR 226 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1xyu h TYR 226 Cb 1.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.25 1xyu h TYR 226 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 1xyu n GLN 227 N -4.22 0.00 -0.96 4.88 10.64 -0.05 -4.82 117.38 122.85 1xyu n GLN 227 Ca -0.02 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.08 1xyu n GLN 227 Cb 0.08 0.00 0.27 0.00 -0.86 0.00 0.00 30.24 29.73 1xyu n GLN 227 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1xyu n ARG 228 N -0.20 3.12 0.00 2.61 0.63 -1.26 -4.73 116.66 116.83 1xyu n ARG 228 Ca 0.00 -3.07 0.00 0.00 -0.92 0.00 0.00 57.85 53.86 1xyu n ARG 228 Cb 0.00 -2.11 0.00 0.00 0.45 0.00 0.00 32.46 30.80 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 -0.50 0.75 2.05 5.14 0.00 -1.26 -5.08 105.19 106.29 1xyu n GLY 229 Ca 0.41 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1xyu n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyu n ALA 230 N 0.00 0.69 -1.25 4.61 0.00 -1.26 -5.29 120.51 118.00 1xyu n ALA 230 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xyu n ALA 230 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xyu n ALA 230 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93