#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dx1 n ALA 115 N 0.00 1.46 0.27 -1.18 0.00 -1.26 -2.14 120.51 117.65 2dx1 n ALA 115 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.64 2dx1 n ALA 115 Cb 0.00 -1.32 0.73 0.00 0.00 0.00 0.00 19.45 18.86 2dx1 n ALA 115 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2dx1 h ILE 116 N 0.00 0.79 -0.66 0.00 5.03 -2.00 -2.78 117.51 117.89 2dx1 h ILE 116 Ca 0.00 -0.22 0.12 0.00 -0.12 0.00 0.00 64.86 64.64 2dx1 h ILE 116 Cb 0.23 1.13 -0.09 0.00 -3.03 0.00 0.00 36.82 35.06 2dx1 h ILE 116 CO 0.00 0.06 0.21 0.78 -0.68 0.00 0.00 178.15 178.51 2dx1 h ASN 117 N 0.00 0.14 0.31 1.72 2.35 -1.78 -2.93 115.58 115.40 2dx1 h ASN 117 Ca -0.00 0.10 -0.33 0.00 -0.55 0.00 0.00 56.30 55.52 2dx1 h ASN 117 Cb 0.12 0.11 0.03 0.00 0.05 0.00 0.00 38.32 38.63 2dx1 h ASN 117 CO 0.01 0.07 -1.49 -0.08 -1.65 0.00 0.00 177.43 174.28 2dx1 h GLU 118 N 0.35 0.48 -0.99 0.81 4.81 -1.74 -3.24 114.58 115.07 2dx1 h GLU 118 Ca 0.35 -0.81 0.10 0.00 -0.13 0.00 0.00 59.36 58.86 2dx1 h GLU 118 Cb 0.50 0.30 -0.08 0.00 0.63 0.00 0.00 28.75 30.11 2dx1 h GLU 118 CO -0.38 1.39 0.63 -0.07 -0.73 0.00 0.00 179.01 179.84 2dx1 h LEU 119 N 0.13 0.95 -0.90 1.64 3.38 -1.53 -0.39 115.31 118.59 2dx1 h LEU 119 Ca -0.25 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2dx1 h LEU 119 Cb 2.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 2dx1 h LEU 119 CO 0.25 0.55 -0.48 0.16 0.09 0.00 0.00 178.44 179.01 2dx1 h ILE 120 N 1.05 1.17 -0.04 1.22 3.07 -1.64 0.75 117.51 123.09 2dx1 h ILE 120 Ca 0.46 -1.75 -0.20 0.00 1.55 0.00 0.00 64.86 64.92 2dx1 h ILE 120 Cb 0.35 1.99 -0.00 0.00 -0.27 0.00 0.00 36.82 38.89 2dx1 h ILE 120 CO -0.23 0.47 -0.81 0.77 -1.05 0.00 0.00 178.15 177.31 2dx1 h SER 121 N 0.00 0.45 1.00 2.16 4.64 -1.15 -2.82 113.55 117.83 2dx1 h SER 121 Ca -0.00 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2dx1 h SER 121 Cb 0.96 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2dx1 h SER 121 CO 0.06 1.08 0.00 0.47 -0.87 0.00 0.00 176.83 177.58 2dx1 n ASP 122 N -3.78 0.57 0.00 4.97 8.00 -0.39 -4.86 116.55 121.05 2dx1 n ASP 122 Ca -0.05 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.05 2dx1 n ASP 122 Cb 0.75 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2dx1 n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dx1 n GLY 123 N 0.64 0.27 3.61 0.44 0.00 -1.06 -5.06 105.19 104.02 2dx1 n GLY 123 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2dx1 n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dx1 n SER 124 N 0.00 1.04 -4.46 1.61 7.64 0.24 -4.92 113.62 114.76 2dx1 n SER 124 Ca 0.00 0.95 -0.43 0.00 1.01 0.00 0.00 58.87 60.40 2dx1 n SER 124 Cb 0.00 -1.36 -0.04 0.00 -1.01 0.00 0.00 64.21 61.80 2dx1 n SER 124 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2dx1 s VAL 125 N -1.37 4.30 -0.34 0.44 1.01 -1.26 -4.34 120.40 118.83 2dx1 s VAL 125 Ca 0.67 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 62.06 2dx1 s VAL 125 Cb -0.50 -4.71 -0.00 0.00 0.00 0.00 0.00 36.38 31.16 2dx1 s VAL 125 CO 0.54 -1.50 0.60 -0.69 0.00 0.00 0.00 175.10 174.05 2dx1 s VAL 126 N 4.11 4.94 0.16 2.92 1.01 -1.26 -4.88 120.40 127.39 2dx1 s VAL 126 Ca 0.24 0.57 0.05 0.00 0.00 0.00 0.00 61.98 62.84 2dx1 s VAL 126 Cb -0.15 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2dx1 s VAL 126 CO 0.09 -0.25 0.15 0.00 0.00 0.00 0.00 175.10 175.10 2dx1 s ALA 128 N -1.73 0.59 -0.01 0.00 0.00 -0.23 -2.81 121.76 117.58 2dx1 s ALA 128 Ca 0.31 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2dx1 s ALA 128 Cb -0.10 1.16 -0.00 0.00 0.00 0.00 0.00 23.12 24.17 2dx1 s ALA 128 CO 0.24 -0.79 -0.04 -1.21 0.00 0.00 0.00 175.76 173.96 2dx1 s GLU 129 N -3.35 0.38 -0.05 0.00 2.02 0.75 -1.03 118.70 117.41 2dx1 s GLU 129 Ca 0.30 -0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.83 2dx1 s GLU 129 Cb 0.00 -0.37 -0.04 0.00 0.10 0.00 0.00 34.13 33.82 2dx1 s GLU 129 CO 0.17 0.09 1.33 0.00 0.02 0.00 0.00 175.26 176.87 2dx1 s ALA 130 N -0.04 3.57 -0.15 5.21 0.00 -0.51 -0.00 121.76 129.84 2dx1 s ALA 130 Ca 0.01 0.73 0.18 0.00 0.00 0.00 0.00 51.96 52.89 2dx1 s ALA 130 Cb -0.02 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.42 2dx1 s ALA 130 CO -0.00 -0.95 0.92 1.37 0.00 0.00 0.00 175.76 177.10 2dx1 h LEU 131 N 8.67 0.00 -9.09 0.00 8.10 -1.43 0.79 115.31 122.35 2dx1 h LEU 131 Ca -0.35 0.00 -0.48 0.00 0.11 0.00 0.00 57.88 57.16 2dx1 h LEU 131 Cb 1.16 0.00 -0.14 0.00 -0.44 0.00 0.00 40.66 41.24 2dx1 h LEU 131 CO 0.91 0.42 -0.68 0.26 -4.11 0.00 0.00 178.44 175.24 2dx1 s TRP 132 N -3.04 1.90 0.38 0.17 0.51 -1.22 -4.76 118.94 112.88 2dx1 s TRP 132 Ca -0.02 -0.69 -0.24 0.00 -2.12 0.00 0.00 56.10 53.03 2dx1 s TRP 132 Cb 0.09 -1.06 -0.10 0.00 -0.81 0.00 0.00 33.47 31.59 2dx1 s TRP 132 CO 0.80 0.27 0.98 -0.51 -0.51 0.00 0.00 176.95 177.98 2dx1 s ASP 133 N -3.42 7.03 -0.18 2.95 1.11 -1.26 -3.55 116.67 119.35 2dx1 s ASP 133 Ca 0.28 1.85 -0.00 0.00 0.18 0.00 0.00 52.55 54.86 2dx1 s ASP 133 Cb 0.03 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.46 2dx1 s ASP 133 CO 0.11 -0.29 -0.15 -2.28 1.18 0.00 0.00 175.17 173.74 2dx1 s HIS 134 N -1.81 2.81 -0.16 4.23 2.46 0.12 -4.89 115.29 118.06 2dx1 s HIS 134 Ca 0.56 -1.25 -0.02 0.00 0.47 0.00 0.00 55.06 54.83 2dx1 s HIS 134 Cb -0.16 -1.94 -0.02 0.00 -0.13 0.00 0.00 32.58 30.33 2dx1 s HIS 134 CO 0.21 -0.62 -0.09 0.08 -2.47 0.00 0.00 174.74 171.86 2dx1 s VAL 135 N 1.13 3.35 0.00 0.89 1.01 -1.26 -2.63 120.40 122.88 2dx1 s VAL 135 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2dx1 s VAL 135 Cb -0.14 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2dx1 s VAL 135 CO -0.05 0.50 0.00 1.07 0.00 0.00 0.00 175.10 176.61 2dx1 n THR 136 N 3.78 0.00 -1.88 3.92 5.66 -1.26 -5.07 114.28 119.43 2dx1 n THR 136 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 2dx1 n THR 136 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2dx1 n THR 136 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2dx1 n ASP 138 N -0.71 -4.28 0.00 1.09 -0.08 -1.26 -4.94 116.55 106.36 2dx1 n ASP 138 Ca 0.00 1.25 0.03 0.00 -1.51 0.00 0.00 54.79 54.56 2dx1 n ASP 138 Cb 0.00 -3.22 0.15 0.00 2.34 0.00 0.00 41.12 40.40 2dx1 n ASP 138 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2dx1 n ASP 139 N 1.78 0.00 -0.29 1.67 5.75 -1.26 -1.26 116.55 122.94 2dx1 n ASP 139 Ca 0.00 0.41 0.11 0.00 -0.01 0.00 0.00 54.79 55.30 2dx1 n ASP 139 Cb 0.00 -0.44 0.07 0.00 -1.03 0.00 0.00 41.12 39.72 2dx1 n ASP 139 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dx1 n GLN 140 N -1.44 0.75 -4.10 0.11 1.13 -1.26 -4.94 117.38 107.63 2dx1 n GLN 140 Ca 0.02 -0.58 -0.28 0.00 -1.94 0.00 0.00 57.00 54.21 2dx1 n GLN 140 Cb 0.07 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 28.87 2dx1 n GLN 140 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2dx1 s GLU 141 N -2.65 2.73 -0.21 -1.09 2.02 -0.39 -0.56 118.70 118.55 2dx1 s GLU 141 Ca 0.17 -0.85 -0.14 0.00 0.02 0.00 0.00 54.97 54.17 2dx1 s GLU 141 Cb 0.18 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.77 2dx1 s GLU 141 CO 0.64 0.52 0.31 -1.17 0.02 0.00 0.00 175.26 175.58 2dx1 s LEU 142 N -2.68 4.14 -0.03 1.80 2.96 0.56 -4.64 118.68 120.80 2dx1 s LEU 142 Ca 0.29 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 2dx1 s LEU 142 Cb -0.11 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2dx1 s LEU 142 CO 0.21 -0.02 0.01 -0.83 -1.32 0.00 0.00 176.35 174.40 2dx1 s GLY 143 N 1.03 1.88 0.24 7.98 0.00 -1.26 -4.72 107.32 112.47 2dx1 s GLY 143 Ca 0.15 -0.90 -0.16 0.00 0.00 0.00 0.00 44.72 43.81 2dx1 s GLY 143 CO 0.07 -0.74 0.54 -0.11 0.00 0.00 0.00 173.10 172.85 2dx1 s PHE 144 N -1.04 0.12 0.12 1.90 -0.12 -1.08 -4.99 117.98 112.89 2dx1 s PHE 144 Ca 0.18 -0.50 0.04 0.00 -0.05 0.00 0.00 56.93 56.61 2dx1 s PHE 144 Cb -0.12 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 2dx1 s PHE 144 CO 0.08 -1.02 0.11 0.15 -0.05 0.00 0.00 175.22 174.49 2dx1 s LYS 145 N -3.96 2.89 0.26 1.99 1.02 -1.26 0.14 119.74 120.82 2dx1 s LYS 145 Ca 0.16 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 2dx1 s LYS 145 Cb -0.02 -2.69 -0.14 0.00 -0.52 0.00 0.00 37.83 34.47 2dx1 s LYS 145 CO 0.05 0.53 1.18 0.00 -0.92 0.00 0.00 175.35 176.18 2dx1 n ALA 146 N 0.07 0.21 0.00 5.17 0.00 -1.23 -2.01 120.51 122.71 2dx1 n ALA 146 Ca -0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2dx1 n ALA 146 Cb 0.53 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2dx1 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dx1 n GLY 147 N 1.51 2.01 3.80 0.00 0.00 0.27 -4.96 105.19 107.83 2dx1 n GLY 147 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2dx1 n GLY 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dx1 s ASP 148 N -1.78 6.39 -0.06 1.61 1.01 -0.85 -4.68 116.67 118.31 2dx1 s ASP 148 Ca 0.00 1.89 -0.23 0.00 0.71 0.00 0.00 52.55 54.92 2dx1 s ASP 148 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2dx1 s ASP 148 CO 0.00 -0.74 0.67 -0.69 0.21 0.00 0.00 175.17 174.62 2dx1 s VAL 149 N -2.03 5.04 -0.10 -1.27 1.01 -1.26 -1.42 120.40 120.36 2dx1 s VAL 149 Ca 0.66 1.39 0.02 0.00 0.00 0.00 0.00 61.98 64.06 2dx1 s VAL 149 Cb -0.15 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.22 2dx1 s VAL 149 CO 0.20 0.27 -0.16 -0.63 0.00 0.00 0.00 175.10 174.78 2dx1 s ILE 150 N 0.68 1.56 -0.31 2.22 1.01 -0.20 -4.78 121.20 121.38 2dx1 s ILE 150 Ca 0.36 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 2dx1 s ILE 150 Cb -0.18 -1.41 -0.00 0.00 0.01 0.00 0.00 42.46 40.89 2dx1 s ILE 150 CO 0.17 0.45 0.74 -0.70 0.00 0.00 0.00 174.94 175.60 2dx1 s GLU 151 N 0.83 3.91 0.61 2.79 2.12 -0.71 -1.07 118.70 127.18 2dx1 s GLU 151 Ca -0.10 0.45 -0.07 0.00 0.36 0.00 0.00 54.97 55.62 2dx1 s GLU 151 Cb -0.16 -3.74 0.01 0.00 0.26 0.00 0.00 34.13 30.50 2dx1 s GLU 151 CO 0.01 -0.67 0.94 0.08 -0.54 0.00 0.00 175.26 175.08 2dx1 s VAL 152 N 2.86 3.69 -0.01 3.70 1.01 0.15 -1.26 120.40 130.55 2dx1 s VAL 152 Ca 0.30 0.12 -0.37 0.00 0.00 0.00 0.00 61.98 62.02 2dx1 s VAL 152 Cb -0.14 -3.48 -0.16 0.00 0.00 0.00 0.00 36.38 32.59 2dx1 s VAL 152 CO 0.13 -0.53 1.46 -0.67 0.00 0.00 0.00 175.10 175.49 2dx1 n ASP 154 N -2.65 1.90 -2.11 3.32 -0.08 -1.15 -4.35 116.55 111.43 2dx1 n ASP 154 Ca 0.05 1.10 -0.10 0.00 -1.51 0.00 0.00 54.79 54.33 2dx1 n ASP 154 Cb 0.57 -1.19 0.05 0.00 2.34 0.00 0.00 41.12 42.90 2dx1 n ASP 154 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dx1 n ALA 155 N 3.33 3.82 -0.05 -1.67 0.00 -1.26 -1.51 120.51 123.16 2dx1 n ALA 155 Ca 0.20 -3.26 -0.10 0.00 0.00 0.00 0.00 53.44 50.28 2dx1 n ALA 155 Cb 0.18 -0.55 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 2dx1 n ALA 155 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2dx1 h THR 156 N 3.63 1.09 -4.18 0.00 2.02 -1.98 -3.44 112.91 110.06 2dx1 h THR 156 Ca 0.11 -0.23 -0.49 0.00 0.77 0.00 0.00 66.41 66.56 2dx1 h THR 156 Cb 1.42 0.88 0.06 0.00 -1.74 0.00 0.00 68.15 68.76 2dx1 h THR 156 CO 0.42 0.09 0.38 0.20 0.37 0.00 0.00 175.52 176.98 2dx1 s ASN 157 N -5.46 5.91 0.14 4.18 0.01 -1.26 -4.98 114.94 113.49 2dx1 s ASN 157 Ca -0.13 1.82 -0.15 0.00 -0.71 0.00 0.00 52.86 53.69 2dx1 s ASN 157 Cb 0.08 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.21 2dx1 s ASN 157 CO 0.70 -1.08 1.68 -0.09 -1.51 0.00 0.00 177.10 176.80 2dx1 h ARG 158 N 0.63 0.65 0.00 -0.60 2.43 -2.02 -3.41 114.38 112.06 2dx1 h ARG 158 Ca -0.47 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 58.45 2dx1 h ARG 158 Cb 1.22 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 2dx1 h ARG 158 CO 0.58 0.61 -1.36 -1.91 -1.51 0.00 0.00 179.97 176.37 2dx1 n GLU 159 N -4.61 0.16 -2.87 0.20 4.07 -1.26 -4.83 120.64 111.50 2dx1 n GLU 159 Ca 0.00 0.07 -0.43 0.00 -0.06 0.00 0.00 57.16 56.75 2dx1 n GLU 159 Cb 0.16 -0.77 -0.04 0.00 -0.06 0.00 0.00 31.44 30.72 2dx1 n GLU 159 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2dx1 s TRP 160 N -2.15 2.89 0.36 4.31 0.52 -1.26 0.45 118.94 124.07 2dx1 s TRP 160 Ca -0.11 0.16 0.07 0.00 0.02 0.00 0.00 56.10 56.24 2dx1 s TRP 160 Cb 0.04 -3.92 -0.02 0.00 -1.15 0.00 0.00 33.47 28.42 2dx1 s TRP 160 CO 0.13 -1.16 0.34 -1.58 0.02 0.00 0.00 176.95 174.70 2dx1 s TRP 161 N 3.68 2.86 -0.13 -1.98 0.51 -0.51 -4.30 118.94 119.05 2dx1 s TRP 161 Ca 0.32 -0.36 -0.04 0.00 -2.12 0.00 0.00 56.10 53.90 2dx1 s TRP 161 Cb -0.12 -1.95 -0.03 0.00 -0.81 0.00 0.00 33.47 30.56 2dx1 s TRP 161 CO 0.22 0.05 0.02 -0.46 -0.51 0.00 0.00 176.95 176.28 2dx1 s TRP 162 N -2.35 3.19 0.29 -1.98 -0.11 -0.57 -0.78 118.94 116.62 2dx1 s TRP 162 Ca 0.44 0.07 0.04 0.00 1.22 0.00 0.00 56.10 57.87 2dx1 s TRP 162 Cb -0.05 -1.93 -0.03 0.00 -1.50 0.00 0.00 33.47 29.96 2dx1 s TRP 162 CO 0.28 0.28 0.23 0.20 -4.62 0.00 0.00 176.95 173.31 2dx1 s GLY 163 N -0.23 2.02 -0.05 5.86 0.00 -0.23 -2.91 107.32 111.77 2dx1 s GLY 163 Ca 0.06 -1.94 -0.05 0.00 0.00 0.00 0.00 44.72 42.79 2dx1 s GLY 163 CO 0.02 -1.44 0.14 -1.60 0.00 0.00 0.00 173.10 170.22 2dx1 s ARG 164 N -3.68 0.16 0.00 2.90 3.52 -0.39 -1.11 118.95 120.35 2dx1 s ARG 164 Ca 0.40 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 2dx1 s ARG 164 Cb 0.04 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 2dx1 s ARG 164 CO 0.22 -0.03 0.00 0.28 -0.81 0.00 0.00 175.30 174.96 2dx1 n VAL 165 N 3.10 0.00 -0.00 7.11 0.31 0.11 -1.75 118.33 127.21 2dx1 n VAL 165 Ca -0.14 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2dx1 n VAL 165 Cb 0.58 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.51 2dx1 n VAL 165 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dx1 n ALA 166 N -3.00 0.01 1.64 3.52 0.00 -1.26 -4.49 120.51 116.93 2dx1 n ALA 166 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2dx1 n ALA 166 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2dx1 n ALA 166 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dx1 n ASP 167 N -2.38 0.23 0.00 0.00 -0.08 -1.26 -4.94 116.55 108.12 2dx1 n ASP 167 Ca -0.00 -1.87 0.00 0.00 -1.51 0.00 0.00 54.79 51.41 2dx1 n ASP 167 Cb 0.01 -0.12 0.00 0.00 2.34 0.00 0.00 41.12 43.35 2dx1 n ASP 167 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dx1 n GLY 168 N 0.34 -1.75 3.41 0.27 0.00 -1.26 -5.12 105.19 101.08 2dx1 n GLY 168 Ca 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 2dx1 n GLY 168 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dx1 s GLU 169 N -1.71 1.71 0.00 1.61 -1.05 -1.26 0.06 118.70 118.06 2dx1 s GLU 169 Ca 0.00 -1.72 0.00 0.00 -0.15 0.00 0.00 54.97 53.10 2dx1 s GLU 169 Cb 0.00 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 2dx1 s GLU 169 CO 0.00 -0.67 0.00 0.41 0.95 0.00 0.00 175.26 175.95 2dx1 n GLY 170 N -0.50 0.38 3.77 -3.83 0.00 -0.27 -4.63 105.19 100.11 2dx1 n GLY 170 Ca 0.02 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 2dx1 n GLY 170 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dx1 s TRP 171 N -1.75 2.65 -0.01 1.61 0.52 0.28 -1.07 118.94 121.16 2dx1 s TRP 171 Ca 0.00 1.54 -0.28 0.00 0.02 0.00 0.00 56.10 57.38 2dx1 s TRP 171 Cb 0.00 -3.27 0.07 0.00 -1.15 0.00 0.00 33.47 29.12 2dx1 s TRP 171 CO 0.00 -1.61 0.63 -0.59 0.02 0.00 0.00 176.95 175.40 2dx1 s PHE 172 N -1.89 -0.60 0.23 -1.98 -0.12 0.04 0.21 117.98 113.86 2dx1 s PHE 172 Ca 0.72 0.93 -0.30 0.00 -0.05 0.00 0.00 56.93 58.22 2dx1 s PHE 172 Cb -0.23 0.40 -0.09 0.00 -0.63 0.00 0.00 43.02 42.48 2dx1 s PHE 172 CO 0.30 -0.63 1.07 -2.14 -0.05 0.00 0.00 175.22 173.78 2dx1 s PRO 173 N -1.61 4.65 0.13 1.99 0.02 -1.26 -1.43 135.00 137.49 2dx1 s PRO 173 Ca -0.09 1.72 -0.12 0.00 0.02 0.00 0.00 61.00 62.53 2dx1 s PRO 173 Cb -0.00 -3.24 -0.06 0.00 0.02 0.00 0.00 34.50 31.21 2dx1 s PRO 173 CO 0.06 0.20 1.45 0.00 -0.33 0.00 0.00 177.00 178.38 2dx1 h ALA 174 N 4.44 0.52 0.00 -1.55 0.00 -0.32 -3.09 119.26 119.25 2dx1 h ALA 174 Ca -0.45 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2dx1 h ALA 174 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dx1 h ALA 174 CO 0.69 0.64 0.02 -1.13 0.00 0.00 0.00 179.25 179.48 2dx1 n SER 175 N -4.08 0.00 -0.71 0.00 3.41 -1.26 -0.22 113.62 110.76 2dx1 n SER 175 Ca -0.03 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 2dx1 n SER 175 Cb 0.56 -0.29 0.16 0.00 -0.26 0.00 0.00 64.21 64.38 2dx1 n SER 175 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2dx1 n PHE 176 N -1.28 0.00 -4.34 7.33 3.01 -1.17 -4.99 117.46 116.03 2dx1 n PHE 176 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.29 2dx1 n PHE 176 Cb 0.02 -0.01 -0.10 0.00 -0.01 0.00 0.00 39.48 39.38 2dx1 n PHE 176 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2dx1 s VAL 177 N -2.17 0.83 -0.06 -4.37 -7.23 0.69 -1.12 120.40 106.98 2dx1 s VAL 177 Ca 0.27 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2dx1 s VAL 177 Cb 0.20 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.61 2dx1 s VAL 177 CO 0.39 -0.14 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.31 2dx1 s ARG 178 N -3.95 1.70 0.10 4.82 3.52 1.00 -4.85 118.95 121.30 2dx1 s ARG 178 Ca 0.34 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.18 2dx1 s ARG 178 Cb 0.07 -1.42 -0.06 0.00 -1.56 0.00 0.00 34.95 31.98 2dx1 s ARG 178 CO 0.12 0.08 1.08 -0.51 -0.81 0.00 0.00 175.30 175.26 2dx1 s LEU 179 N 0.50 4.44 0.41 -0.88 1.43 -1.26 -0.18 118.68 123.14 2dx1 s LEU 179 Ca -0.12 1.94 -0.25 0.00 -1.03 0.00 0.00 54.13 54.67 2dx1 s LEU 179 Cb -0.15 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 2dx1 s LEU 179 CO 0.03 -0.27 1.15 0.54 0.23 0.00 0.00 176.35 178.04 2dx1 n ARG 180 N 3.12 1.67 -0.03 1.70 1.74 -1.12 -4.90 116.66 118.84 2dx1 n ARG 180 Ca 0.05 0.59 -0.14 0.00 -0.77 0.00 0.00 57.85 57.58 2dx1 n ARG 180 Cb 0.48 -2.21 -0.10 0.00 -1.02 0.00 0.00 32.46 29.61 2dx1 n ARG 180 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2dx1 h VAL 181 N 1.88 1.45 -3.48 1.55 2.07 -1.93 -3.41 116.25 114.38 2dx1 h VAL 181 Ca -0.46 -1.55 -0.72 0.00 0.82 0.00 0.00 66.70 64.79 2dx1 h VAL 181 Cb 1.31 2.36 -0.22 0.00 -1.52 0.00 0.00 31.29 33.22 2dx1 h VAL 181 CO 0.59 0.43 -0.43 0.20 0.02 0.00 0.00 177.57 178.37 2dx1 s ASN 182 N -6.08 6.01 0.00 0.57 0.01 -1.26 -4.98 114.94 109.20 2dx1 s ASN 182 Ca -0.15 -1.04 0.00 0.00 -0.71 0.00 0.00 52.86 50.96 2dx1 s ASN 182 Cb 0.02 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.56 2dx1 s ASN 182 CO 0.72 -0.48 0.00 0.00 -1.51 0.00 0.00 177.10 175.84 2dx1 n GLN 183 N 5.12 0.00 -3.78 -0.60 1.13 -1.26 -5.09 117.38 112.90 2dx1 n GLN 183 Ca -0.11 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.78 2dx1 n GLN 183 Cb 0.46 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.64 2dx1 n GLN 183 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dx1 s ASP 184 N -1.00 0.45 0.00 1.08 1.11 -1.26 -5.13 116.67 111.92 2dx1 s ASP 184 Ca 0.00 0.03 0.01 0.00 0.18 0.00 0.00 52.55 52.78 2dx1 s ASP 184 Cb 0.00 -0.13 0.02 0.00 1.07 0.00 0.00 42.92 43.88 2dx1 s ASP 184 CO 0.00 -0.15 0.75 0.00 1.18 0.00 0.00 175.17 176.94 2dx1 n ALA 206 N 4.47 2.30 -0.07 5.23 0.00 -1.26 -5.15 120.51 126.03 2dx1 n ALA 206 Ca -0.21 -0.72 -0.07 0.00 0.00 0.00 0.00 53.44 52.44 2dx1 n ALA 206 Cb 0.50 -0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 2dx1 n ALA 206 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2dx1 n GLN 207 N -0.11 1.62 0.05 0.00 -0.06 -1.26 -3.36 117.38 114.25 2dx1 n GLN 207 Ca 0.01 -0.01 -0.17 0.00 -2.00 0.00 0.00 57.00 54.83 2dx1 n GLN 207 Cb 0.13 -1.37 -0.08 0.00 -4.06 0.00 0.00 30.24 24.87 2dx1 n GLN 207 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2dx1 h SER 208 N 0.00 0.76 0.20 1.69 0.87 -2.05 -2.62 113.55 112.40 2dx1 h SER 208 Ca -0.38 -0.61 -0.01 0.00 -1.23 0.00 0.00 61.79 59.56 2dx1 h SER 208 Cb 1.86 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 2dx1 h SER 208 CO 0.02 1.41 -0.10 0.28 -0.53 0.00 0.00 176.83 177.91 2dx1 h SER 209 N 0.33 -0.23 -0.29 6.23 0.02 -2.00 -2.37 113.55 115.23 2dx1 h SER 209 Ca -0.11 -0.29 0.09 0.00 -0.84 0.00 0.00 61.79 60.64 2dx1 h SER 209 Cb 1.64 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.23 2dx1 h SER 209 CO 0.19 0.22 0.30 0.50 -1.14 0.00 0.00 176.83 176.89 2dx1 h LYS 210 N -0.74 0.00 0.11 3.45 1.63 -1.63 0.02 116.57 119.41 2dx1 h LYS 210 Ca -0.03 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.47 2dx1 h LYS 210 Cb 0.50 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 2dx1 h LYS 210 CO 0.05 0.00 -1.48 -0.44 -3.45 0.00 0.00 179.45 174.12 2dx1 h ASP 211 N 0.00 0.36 0.00 4.20 3.32 -1.42 -3.25 116.42 119.63 2dx1 h ASP 211 Ca 0.14 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2dx1 h ASP 211 Cb 0.74 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2dx1 h ASP 211 CO -0.00 1.40 0.00 1.67 -1.72 0.00 0.00 179.24 180.59 2dx1 n GLN 212 N -3.44 0.05 0.00 3.56 -0.06 -0.01 -1.47 117.38 116.01 2dx1 n GLN 212 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.85 2dx1 n GLN 212 Cb 1.04 -1.34 0.00 0.00 -4.06 0.00 0.00 30.24 25.88 2dx1 n GLN 212 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2dx1 n ARG 214 N 0.82 0.00 0.10 3.69 0.63 -1.23 -0.51 116.66 120.17 2dx1 n ARG 214 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 2dx1 n ARG 214 Cb 0.02 0.00 0.26 0.00 0.45 0.00 0.00 32.46 33.19 2dx1 n ARG 214 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2dx1 h THR 215 N 0.00 1.29 0.19 5.15 2.02 -1.57 -1.29 112.91 118.69 2dx1 h THR 215 Ca 0.00 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 2dx1 h THR 215 Cb 0.00 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2dx1 h THR 215 CO 0.00 0.41 -0.09 0.78 0.37 0.00 0.00 175.52 176.99 2dx1 h ASN 216 N 0.20 -0.21 -0.30 4.18 2.35 -1.06 -1.36 115.58 119.38 2dx1 h ASN 216 Ca 0.02 -0.19 0.05 0.00 -0.55 0.00 0.00 56.30 55.63 2dx1 h ASN 216 Cb 0.73 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.11 2dx1 h ASN 216 CO 0.06 0.08 0.02 0.58 -1.65 0.00 0.00 177.43 176.52 2dx1 h VAL 217 N -0.51 0.81 -0.77 2.81 2.07 -1.81 -0.66 116.25 118.18 2dx1 h VAL 217 Ca -0.03 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.59 2dx1 h VAL 217 Cb 0.39 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 2dx1 h VAL 217 CO 0.04 0.02 0.35 0.40 0.02 0.00 0.00 177.57 178.40 2dx1 h ILE 218 N 0.12 0.71 -0.09 4.57 2.04 -1.16 0.45 117.51 124.14 2dx1 h ILE 218 Ca 0.14 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 2dx1 h ILE 218 Cb 0.18 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2dx1 h ILE 218 CO -0.22 0.09 -0.42 0.78 0.00 0.00 0.00 178.15 178.38 2dx1 h ASN 219 N 0.52 0.21 -0.00 1.72 2.35 -0.30 -2.28 115.58 117.80 2dx1 h ASN 219 Ca 0.42 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2dx1 h ASN 219 Cb 0.59 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 2dx1 h ASN 219 CO -0.37 0.61 -0.00 -0.08 -1.65 0.00 0.00 177.43 175.93 2dx1 h GLU 220 N 0.17 0.01 -0.36 0.81 4.81 0.46 0.12 114.58 120.59 2dx1 h GLU 220 Ca 0.01 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 2dx1 h GLU 220 Cb 0.81 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.11 2dx1 h GLU 220 CO 0.06 0.49 -0.25 0.82 -0.73 0.00 0.00 179.01 179.40 2dx1 h ILE 221 N -0.47 0.34 -0.32 2.32 2.04 -0.99 0.62 117.51 121.05 2dx1 h ILE 221 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2dx1 h ILE 221 Cb 0.49 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2dx1 h ILE 221 CO 0.00 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 178.05 2dx1 h LEU 222 N -0.20 0.48 -0.20 1.44 3.38 -1.37 -2.31 115.31 116.53 2dx1 h LEU 222 Ca 0.18 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2dx1 h LEU 222 Cb 0.48 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2dx1 h LEU 222 CO -0.48 0.57 -0.32 -1.28 0.09 0.00 0.00 178.44 177.01 2dx1 h SER 223 N 0.48 0.63 0.38 -0.43 0.87 0.17 -2.65 113.55 113.00 2dx1 h SER 223 Ca 0.10 -0.53 -0.03 0.00 -1.23 0.00 0.00 61.79 60.10 2dx1 h SER 223 Cb 0.36 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2dx1 h SER 223 CO 0.01 1.04 -0.15 0.71 -0.53 0.00 0.00 176.83 177.91 2dx1 h THR 224 N 0.24 0.68 0.04 2.23 1.35 0.38 -1.59 112.91 116.24 2dx1 h THR 224 Ca 0.02 -0.63 -0.25 0.00 -0.55 0.00 0.00 66.41 65.00 2dx1 h THR 224 Cb 0.91 1.39 0.01 0.00 -1.73 0.00 0.00 68.15 68.73 2dx1 h THR 224 CO 0.07 0.15 -1.04 -0.33 -0.25 0.00 0.00 175.52 174.12 2dx1 h GLU 225 N 0.00 0.43 -0.43 4.72 4.39 -1.37 -0.02 114.58 122.30 2dx1 h GLU 225 Ca -0.00 -0.51 -0.05 0.00 0.34 0.00 0.00 59.36 59.14 2dx1 h GLU 225 Cb 0.38 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2dx1 h GLU 225 CO 0.02 1.17 0.06 0.00 -1.16 0.00 0.00 179.01 179.10 2dx1 h ARG 226 N 0.22 0.71 -0.32 2.33 3.08 -1.04 -1.43 114.38 117.92 2dx1 h ARG 226 Ca -0.11 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 2dx1 h ARG 226 Cb 1.70 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.66 2dx1 h ARG 226 CO 0.18 0.75 0.01 -0.44 -1.07 0.00 0.00 179.97 179.40 2dx1 h ASP 227 N 0.56 0.55 -0.40 7.04 3.32 -1.29 -2.95 116.42 123.26 2dx1 h ASP 227 Ca 0.13 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2dx1 h ASP 227 Cb 0.40 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2dx1 h ASP 227 CO 0.01 0.72 0.25 0.22 -1.72 0.00 0.00 179.24 178.72 2dx1 h TYR 228 N 0.37 0.52 0.00 4.55 -0.00 -0.91 -1.33 116.97 120.17 2dx1 h TYR 228 Ca 0.09 0.01 -0.10 0.00 -0.00 0.00 0.00 58.73 58.73 2dx1 h TYR 228 Cb 0.43 -0.17 -0.01 0.00 -0.00 0.00 0.00 36.73 36.97 2dx1 h TYR 228 CO 0.03 0.34 -0.46 0.97 -0.00 0.00 0.00 178.16 179.05 2dx1 h ILE 229 N 0.55 1.02 -0.08 1.81 2.10 -1.13 -2.19 117.51 119.59 2dx1 h ILE 229 Ca 0.15 -1.77 -0.14 0.00 1.08 0.00 0.00 64.86 64.18 2dx1 h ILE 229 Cb -0.04 2.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.73 2dx1 h ILE 229 CO -0.03 0.45 -0.58 0.11 -1.08 0.00 0.00 178.15 177.02 2dx1 h LYS 230 N 0.00 0.25 -0.00 2.19 1.57 -1.09 -0.99 116.57 118.50 2dx1 h LYS 230 Ca -0.00 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2dx1 h LYS 230 Cb 1.01 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 2dx1 h LYS 230 CO 0.06 0.76 -0.00 0.45 -0.57 0.00 0.00 179.45 180.15 2dx1 h HIS 231 N 0.19 0.00 -0.64 -1.35 3.86 -1.09 -1.63 115.15 114.49 2dx1 h HIS 231 Ca -0.00 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.26 2dx1 h HIS 231 Cb 1.08 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.51 2dx1 h HIS 231 CO 0.02 0.48 0.42 -0.07 0.86 0.00 0.00 177.93 179.64 2dx1 h LEU 232 N -0.47 0.57 -0.28 2.43 3.38 -1.35 0.66 115.31 120.24 2dx1 h LEU 232 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2dx1 h LEU 232 Cb 0.48 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2dx1 h LEU 232 CO 0.00 0.37 -0.52 -0.09 0.09 0.00 0.00 178.44 178.29 2dx1 h ARG 233 N 0.65 0.85 -0.51 1.13 2.43 -1.10 -1.67 114.38 116.17 2dx1 h ARG 233 Ca 0.27 -0.54 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 2dx1 h ARG 233 Cb 0.25 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2dx1 h ARG 233 CO -0.08 1.17 0.08 -0.44 -1.51 0.00 0.00 179.97 179.19 2dx1 h ASP 234 N 0.62 0.75 0.66 -3.80 3.32 -0.18 0.15 116.42 117.93 2dx1 h ASP 234 Ca 0.01 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 2dx1 h ASP 234 Cb 1.13 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.49 2dx1 h ASP 234 CO 0.12 0.77 -0.32 0.40 -1.72 0.00 0.00 179.24 178.49 2dx1 h ILE 235 N 0.76 0.00 -1.01 0.35 2.04 -0.84 0.21 117.51 119.02 2dx1 h ILE 235 Ca 0.16 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2dx1 h ILE 235 Cb 0.35 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 2dx1 h ILE 235 CO 0.01 0.00 0.66 0.00 0.00 0.00 0.00 178.15 178.82 2dx1 n GLU 237 N -4.41 0.64 -0.07 0.00 1.02 0.03 -2.14 120.64 115.71 2dx1 n GLU 237 Ca 0.13 0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.20 2dx1 n GLU 237 Cb 0.05 -1.68 -0.15 0.00 -0.02 0.00 0.00 31.44 29.65 2dx1 n GLU 237 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dx1 n GLY 238 N 1.38 -0.89 0.50 0.62 0.00 0.72 -4.67 105.19 102.85 2dx1 n GLY 238 Ca -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 2dx1 n GLY 238 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2dx1 n TYR 239 N -2.96 0.00 -0.01 1.61 0.53 0.11 -4.56 117.16 111.88 2dx1 n TYR 239 Ca -0.29 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 56.58 2dx1 n TYR 239 Cb 1.10 -0.09 -0.01 0.00 -1.03 0.00 0.00 39.34 39.31 2dx1 n TYR 239 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 2dx1 h VAL 240 N -0.18 0.00 -0.84 -0.72 2.07 -1.43 -0.82 116.25 114.34 2dx1 h VAL 240 Ca 0.00 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.80 2dx1 h VAL 240 Cb 0.18 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.79 2dx1 h VAL 240 CO 0.00 0.00 0.19 -1.14 0.02 0.00 0.00 177.57 176.64 2dx1 n ARG 241 N -2.81 -0.06 0.17 1.57 0.63 -0.91 -0.31 116.66 114.94 2dx1 n ARG 241 Ca -0.00 1.21 -0.13 0.00 -0.92 0.00 0.00 57.85 58.01 2dx1 n ARG 241 Cb 0.02 -2.02 -0.08 0.00 0.45 0.00 0.00 32.46 30.83 2dx1 n ARG 241 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2dx1 h GLN 242 N 0.00 -0.45 -0.47 -0.14 1.08 -1.60 -3.06 115.11 110.47 2dx1 h GLN 242 Ca 0.59 0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.91 2dx1 h GLN 242 Cb 1.38 0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 28.83 2dx1 h GLN 242 CO -0.73 -0.12 -0.03 0.00 -0.95 0.00 0.00 178.83 177.00 2dx1 n ARG 244 N -5.26 0.07 -0.03 0.00 0.63 -0.10 -0.29 116.66 111.69 2dx1 n ARG 244 Ca 0.04 0.53 0.12 0.00 -0.92 0.00 0.00 57.85 57.63 2dx1 n ARG 244 Cb 0.25 -1.72 0.17 0.00 0.45 0.00 0.00 32.46 31.61 2dx1 n ARG 244 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2dx1 n LYS 245 N -1.87 2.27 -3.26 -0.14 3.00 0.23 -4.48 118.16 113.92 2dx1 n LYS 245 Ca -0.00 -1.85 -0.25 0.00 -0.00 0.00 0.00 58.31 56.20 2dx1 n LYS 245 Cb 0.04 -1.47 -0.07 0.00 0.00 0.00 0.00 35.03 33.54 2dx1 n LYS 245 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dx1 n ARG 246 N 1.22 2.10 0.24 1.64 5.12 0.60 -4.90 116.66 122.68 2dx1 n ARG 246 Ca 0.15 -4.25 0.15 0.00 -1.93 0.00 0.00 57.85 51.97 2dx1 n ARG 246 Cb 0.57 -1.96 0.80 0.00 -1.16 0.00 0.00 32.46 30.71 2dx1 n ARG 246 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dx1 h ALA 247 N 3.80 1.06 0.00 7.54 0.00 -1.79 -0.52 119.26 129.36 2dx1 h ALA 247 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dx1 h ALA 247 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2dx1 h ALA 247 CO 0.72 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 2dx1 n ASP 248 N -2.58 1.43 -3.34 0.00 5.75 -1.26 -4.42 116.55 112.13 2dx1 n ASP 248 Ca -0.02 -1.91 -0.42 0.00 -0.01 0.00 0.00 54.79 52.43 2dx1 n ASP 248 Cb 0.12 -0.48 -0.05 0.00 -1.03 0.00 0.00 41.12 39.68 2dx1 n ASP 248 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2dx1 n PHE 250 N 0.15 0.31 -3.04 2.11 3.01 -0.20 -5.25 117.46 114.55 2dx1 n PHE 250 Ca 0.00 0.78 -0.21 0.00 1.01 0.00 0.00 57.45 59.03 2dx1 n PHE 250 Cb 0.30 -1.54 0.01 0.00 -0.01 0.00 0.00 39.48 38.24 2dx1 n PHE 250 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2dx1 s SER 251 N -0.15 5.75 0.33 4.37 1.04 -1.26 -4.89 113.70 118.89 2dx1 s SER 251 Ca 0.64 0.07 0.03 0.00 0.48 0.00 0.00 55.95 57.17 2dx1 s SER 251 Cb -0.90 -1.27 0.64 0.00 0.10 0.00 0.00 66.02 64.59 2dx1 s SER 251 CO 0.42 -0.73 1.93 -0.33 0.98 0.00 0.00 173.24 175.51 2dx1 h GLU 252 N 0.47 0.86 -0.51 4.02 4.39 -2.00 -1.82 114.58 120.00 2dx1 h GLU 252 Ca -0.45 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 2dx1 h GLU 252 Cb 1.26 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 2dx1 h GLU 252 CO 0.54 0.57 0.22 1.49 -1.16 0.00 0.00 179.01 180.67 2dx1 h GLU 253 N 0.89 0.76 -0.01 2.33 4.81 -1.99 -2.03 114.58 119.33 2dx1 h GLU 253 Ca 0.36 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2dx1 h GLU 253 Cb 0.27 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2dx1 h GLU 253 CO -0.14 0.66 0.01 1.96 -0.73 0.00 0.00 179.01 180.77 2dx1 h GLN 254 N 0.69 0.02 -0.99 1.92 4.20 -1.77 -0.53 115.11 118.64 2dx1 h GLN 254 Ca 0.17 -0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.03 2dx1 h GLN 254 Cb 0.17 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.86 2dx1 h GLN 254 CO -0.02 0.12 0.62 -0.07 -0.67 0.00 0.00 178.83 178.81 2dx1 h LEU 255 N -0.08 0.84 -0.47 1.46 3.38 -1.24 1.13 115.31 120.33 2dx1 h LEU 255 Ca 0.00 0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 2dx1 h LEU 255 Cb 0.10 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2dx1 h LEU 255 CO -0.00 0.39 -0.63 0.03 0.09 0.00 0.00 178.44 178.32 2dx1 h ARG 256 N 0.87 0.49 -0.02 1.13 3.08 -1.07 -1.25 114.38 117.61 2dx1 h ARG 256 Ca 0.53 -0.35 -0.25 0.00 0.07 0.00 0.00 59.98 59.97 2dx1 h ARG 256 Cb 0.69 0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.81 2dx1 h ARG 256 CO -0.30 0.97 -0.98 1.15 -1.07 0.00 0.00 179.97 179.73 2dx1 h THR 257 N 0.36 1.30 0.11 2.04 2.02 0.75 -0.11 112.91 119.38 2dx1 h THR 257 Ca -0.01 -2.24 -0.01 0.00 0.77 0.00 0.00 66.41 64.93 2dx1 h THR 257 Cb 1.19 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 2dx1 h THR 257 CO 0.11 0.69 -0.05 0.40 0.37 0.00 0.00 175.52 177.04 2dx1 h ILE 258 N 0.39 1.06 0.00 3.11 2.04 0.12 -3.14 117.51 121.08 2dx1 h ILE 258 Ca -0.11 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2dx1 h ILE 258 Cb 1.63 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 2dx1 h ILE 258 CO 0.19 0.28 -1.41 0.49 0.00 0.00 0.00 178.15 177.70 2dx1 n PHE 259 N -4.87 0.29 -4.67 1.37 3.01 -0.47 -4.76 117.46 107.35 2dx1 n PHE 259 Ca -0.08 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2dx1 n PHE 259 Cb 0.28 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 2dx1 n PHE 259 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dx1 n GLY 260 N 1.30 2.75 2.24 1.37 0.00 -0.05 -2.25 105.19 110.55 2dx1 n GLY 260 Ca -0.01 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 2dx1 n GLY 260 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2dx1 n ASN 261 N 0.50 4.65 0.09 1.61 6.94 -1.26 -4.60 115.26 123.18 2dx1 n ASN 261 Ca 0.00 -3.65 0.17 0.00 -0.02 0.00 0.00 54.58 51.08 2dx1 n ASN 261 Cb 0.00 -0.87 0.70 0.00 -2.36 0.00 0.00 39.78 37.25 2dx1 n ASN 261 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 2dx1 h ILE 262 N 1.00 0.73 -0.06 1.53 6.09 -1.87 0.16 117.51 125.09 2dx1 h ILE 262 Ca 0.63 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 63.99 2dx1 h ILE 262 Cb 2.39 0.80 -0.01 0.00 0.47 0.00 0.00 36.82 40.47 2dx1 h ILE 262 CO 1.22 0.00 -0.56 -0.33 -3.07 0.00 0.00 178.15 175.40 2dx1 h GLU 263 N 0.00 0.19 -0.13 2.19 5.08 -1.84 -1.16 114.58 118.90 2dx1 h GLU 263 Ca 0.17 -0.12 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 2dx1 h GLU 263 Cb 0.73 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.01 2dx1 h GLU 263 CO -0.00 0.70 -0.69 -0.44 -1.00 0.00 0.00 179.01 177.57 2dx1 h ASP 264 N 0.14 0.84 -0.93 1.42 3.32 -1.08 -2.50 116.42 117.64 2dx1 h ASP 264 Ca -0.00 -0.64 0.04 0.00 0.02 0.00 0.00 57.03 56.45 2dx1 h ASP 264 Cb 1.03 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.28 2dx1 h ASP 264 CO 0.08 1.34 0.61 0.40 -1.72 0.00 0.00 179.24 179.95 2dx1 h ILE 265 N 0.39 1.16 -0.58 0.35 2.04 -1.22 -0.99 117.51 118.66 2dx1 h ILE 265 Ca -0.05 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 2dx1 h ILE 265 Cb 1.33 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2dx1 h ILE 265 CO 0.14 0.21 0.04 0.22 0.00 0.00 0.00 178.15 178.76 2dx1 h TYR 266 N 1.16 1.03 -0.21 1.37 3.20 -1.08 -0.79 116.97 121.65 2dx1 h TYR 266 Ca 0.37 -0.15 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 2dx1 h TYR 266 Cb 0.02 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.00 2dx1 h TYR 266 CO -0.00 0.91 -0.13 -0.09 -1.64 0.00 0.00 178.16 177.20 2dx1 h ARG 267 N 0.90 0.46 -0.59 1.82 2.43 -0.91 -2.33 114.38 116.16 2dx1 h ARG 267 Ca 0.17 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2dx1 h ARG 267 Cb 0.47 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2dx1 h ARG 267 CO 0.02 0.77 0.11 0.00 -1.51 0.00 0.00 179.97 179.36 2dx1 h GLN 269 N 0.86 0.21 -0.72 0.00 5.75 -1.14 -0.69 115.11 119.37 2dx1 h GLN 269 Ca 0.18 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 2dx1 h GLN 269 Cb 0.40 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 2dx1 h GLN 269 CO 0.01 0.42 0.23 0.87 -2.65 0.00 0.00 178.83 177.70 2dx1 h LYS 270 N 0.19 1.12 -0.22 1.69 1.57 -1.20 0.01 116.57 119.74 2dx1 h LYS 270 Ca 0.03 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 2dx1 h LYS 270 Cb 0.49 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2dx1 h LYS 270 CO 0.03 0.95 -0.11 0.00 -0.57 0.00 0.00 179.45 179.75 2dx1 h ALA 271 N 1.17 0.31 -0.57 3.86 0.00 -1.31 -2.48 119.26 120.23 2dx1 h ALA 271 Ca 0.23 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2dx1 h ALA 271 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2dx1 h ALA 271 CO -0.01 0.16 0.33 0.35 0.00 0.00 0.00 179.25 180.08 2dx1 h PHE 272 N 0.16 0.61 -0.27 0.00 3.57 -0.94 0.51 116.94 120.57 2dx1 h PHE 272 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2dx1 h PHE 272 Cb 0.61 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2dx1 h PHE 272 CO 0.06 0.32 0.18 0.28 -2.23 0.00 0.00 178.31 176.93 2dx1 h VAL 273 N 0.64 1.07 -1.00 1.41 2.07 -0.91 0.72 116.25 120.25 2dx1 h VAL 273 Ca 0.24 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.71 2dx1 h VAL 273 Cb 0.08 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 2dx1 h VAL 273 CO -0.13 0.07 0.64 0.50 0.02 0.00 0.00 177.57 178.67 2dx1 h LYS 274 N 0.37 1.10 0.00 1.57 1.63 -0.88 -0.29 116.57 120.07 2dx1 h LYS 274 Ca 0.10 -0.07 -0.13 0.00 -0.85 0.00 0.00 60.65 59.70 2dx1 h LYS 274 Cb -0.04 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.32 2dx1 h LYS 274 CO -0.02 0.73 -0.64 0.00 -3.45 0.00 0.00 179.45 176.07 2dx1 h ALA 275 N 1.47 0.78 0.06 5.00 0.00 -0.28 -2.57 119.26 123.72 2dx1 h ALA 275 Ca 0.44 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2dx1 h ALA 275 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2dx1 h ALA 275 CO -0.19 0.80 -0.03 -0.07 0.00 0.00 0.00 179.25 179.76 2dx1 h LEU 276 N 0.00 -0.07 -1.53 0.00 3.38 0.22 -3.19 115.31 114.13 2dx1 h LEU 276 Ca -0.01 -0.50 0.11 0.00 0.09 0.00 0.00 57.88 57.58 2dx1 h LEU 276 Cb 1.26 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2dx1 h LEU 276 CO 0.08 0.49 0.47 -0.33 0.09 0.00 0.00 178.44 179.24 2dx1 h GLU 277 N -0.66 0.50 0.00 1.13 5.08 -1.11 0.41 114.58 119.92 2dx1 h GLU 277 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2dx1 h GLU 277 Cb 0.56 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2dx1 h GLU 277 CO 0.01 0.33 0.00 1.96 -1.00 0.00 0.00 179.01 180.31 2dx1 h GLN 278 N 0.51 0.00 0.00 2.33 1.08 -1.45 -1.61 115.11 115.97 2dx1 h GLN 278 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 2dx1 h GLN 278 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2dx1 h GLN 278 CO -0.11 0.00 -0.67 0.54 -0.95 0.00 0.00 178.83 177.64 2dx1 n ARG 279 N -2.36 0.17 -2.09 1.46 5.12 0.11 -4.89 116.66 114.17 2dx1 n ARG 279 Ca 0.02 0.03 -0.43 0.00 -1.93 0.00 0.00 57.85 55.55 2dx1 n ARG 279 Cb 0.27 -1.59 -0.03 0.00 -1.16 0.00 0.00 32.46 29.95 2dx1 n ARG 279 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2dx1 s PHE 280 N -3.10 2.13 -1.05 -1.55 5.36 -0.61 -3.94 117.98 115.22 2dx1 s PHE 280 Ca 0.08 0.41 -0.17 0.00 -0.96 0.00 0.00 56.93 56.29 2dx1 s PHE 280 Cb 0.15 -3.87 0.15 0.00 -0.34 0.00 0.00 43.02 39.11 2dx1 s PHE 280 CO 0.73 -3.29 1.26 1.21 -1.46 0.00 0.00 175.22 173.66 2dx1 s ASN 281 N 3.42 6.82 0.24 6.13 3.04 -1.26 -4.90 114.94 128.43 2dx1 s ASN 281 Ca 0.70 -2.45 -0.07 0.00 0.04 0.00 0.00 52.86 51.08 2dx1 s ASN 281 Cb -0.29 -2.40 0.42 0.00 -1.54 0.00 0.00 41.25 37.44 2dx1 s ASN 281 CO 0.27 -0.93 1.63 -0.09 -3.04 0.00 0.00 177.10 174.95 2dx1 h ARG 282 N 8.12 0.09 0.62 0.43 2.43 -1.93 0.39 114.38 124.54 2dx1 h ARG 282 Ca 0.22 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2dx1 h ARG 282 Cb 0.96 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2dx1 h ARG 282 CO 1.16 0.06 -0.30 0.93 -1.51 0.00 0.00 179.97 180.32 2dx1 h GLU 283 N 0.10 -0.81 -3.24 0.20 4.39 -2.04 -3.36 114.58 109.82 2dx1 h GLU 283 Ca 0.41 0.06 -0.67 0.00 0.34 0.00 0.00 59.36 59.49 2dx1 h GLU 283 Cb 0.71 0.18 -0.38 0.00 -0.10 0.00 0.00 28.75 29.16 2dx1 h GLU 283 CO -0.67 -0.54 -0.28 1.03 -1.16 0.00 0.00 179.01 177.40 2dx1 s ARG 284 N -4.63 2.95 0.21 2.33 0.52 -1.03 -4.98 118.95 114.32 2dx1 s ARG 284 Ca -0.12 -3.28 -0.20 0.00 -0.52 0.00 0.00 55.73 51.60 2dx1 s ARG 284 Cb 0.01 -3.75 0.17 0.00 0.52 0.00 0.00 34.95 31.90 2dx1 s ARG 284 CO 0.37 -1.27 1.56 -1.35 0.02 0.00 0.00 175.30 174.63 2dx1 h PRO 285 N 5.81 -0.04 0.00 3.54 0.11 -1.09 -1.01 132.00 139.32 2dx1 h PRO 285 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2dx1 h PRO 285 Cb 0.79 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2dx1 h PRO 285 CO 0.80 -0.03 0.35 -2.39 -0.21 0.00 0.00 178.00 176.52 2dx1 n HIS 286 N -5.43 0.23 0.95 0.65 1.44 -1.26 0.38 115.22 112.18 2dx1 n HIS 286 Ca 0.08 0.12 0.12 0.00 -2.01 0.00 0.00 57.72 56.02 2dx1 n HIS 286 Cb 0.37 -0.42 0.19 0.00 0.12 0.00 0.00 29.99 30.24 2dx1 n HIS 286 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2dx1 n LEU 287 N -1.72 0.58 -4.66 2.39 4.77 -0.38 -4.90 117.00 113.09 2dx1 n LEU 287 Ca -0.00 -0.05 -0.44 0.00 -0.03 0.00 0.00 56.01 55.48 2dx1 n LEU 287 Cb 0.36 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2dx1 n LEU 287 CO 0.03 0.13 0.87 -1.20 -1.33 0.00 0.00 177.39 175.88 2dx1 n SER 288 N -1.56 2.35 -4.27 -1.43 7.64 0.16 -4.94 113.62 111.58 2dx1 n SER 288 Ca 0.05 1.17 -0.37 0.00 1.01 0.00 0.00 58.87 60.73 2dx1 n SER 288 Cb 0.35 -1.40 -0.13 0.00 -1.01 0.00 0.00 64.21 62.02 2dx1 n SER 288 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2dx1 s GLU 289 N -1.07 2.67 -0.02 1.43 2.02 -1.25 -4.88 118.70 117.59 2dx1 s GLU 289 Ca 0.63 -1.14 0.07 0.00 0.02 0.00 0.00 54.97 54.55 2dx1 s GLU 289 Cb -0.65 -3.40 -0.10 0.00 0.10 0.00 0.00 34.13 30.08 2dx1 s GLU 289 CO 0.56 -0.62 0.12 1.28 0.02 0.00 0.00 175.26 176.62 2dx1 n LEU 290 N 4.79 0.00 -0.05 1.80 4.77 -1.26 -4.70 117.00 122.35 2dx1 n LEU 290 Ca -0.13 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.77 2dx1 n LEU 290 Cb 0.45 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 2dx1 n LEU 290 CO 0.31 0.03 0.68 1.23 -1.33 0.00 0.00 177.39 178.32 2dx1 h GLY 291 N 1.26 -0.21 0.64 -0.72 0.00 -1.86 -1.54 103.07 100.64 2dx1 h GLY 291 Ca -0.04 0.33 0.16 0.00 0.00 0.00 0.00 47.33 47.78 2dx1 h GLY 291 CO 0.00 -0.20 0.51 0.00 0.00 0.00 0.00 176.54 176.85 2dx1 h ALA 292 N 0.74 2.18 -0.49 3.60 0.00 -1.84 0.15 119.26 123.60 2dx1 h ALA 292 Ca 0.14 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2dx1 h ALA 292 Cb 0.48 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2dx1 h ALA 292 CO -0.40 -0.39 -0.12 0.00 0.00 0.00 0.00 179.25 178.34 2dx1 h PHE 294 N 0.80 0.29 -0.85 0.00 -1.00 -0.22 -2.87 116.94 113.08 2dx1 h PHE 294 Ca 0.12 -0.06 0.14 0.00 2.81 0.00 0.00 57.97 60.99 2dx1 h PHE 294 Cb 0.68 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 40.10 2dx1 h PHE 294 CO 0.05 0.53 0.56 -0.07 -1.61 0.00 0.00 178.31 177.76 2dx1 h LEU 295 N -0.03 0.59 -0.15 1.54 3.38 -0.47 0.21 115.31 120.38 2dx1 h LEU 295 Ca 0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2dx1 h LEU 295 Cb 0.43 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2dx1 h LEU 295 CO 0.01 0.30 0.00 -0.62 0.09 0.00 0.00 178.44 178.22 2dx1 n GLU 296 N -4.54 0.09 -0.25 1.13 1.02 0.75 -3.14 120.64 115.70 2dx1 n GLU 296 Ca 0.16 0.20 0.06 0.00 -0.02 0.00 0.00 57.16 57.57 2dx1 n GLU 296 Cb 0.48 -1.64 0.18 0.00 -0.02 0.00 0.00 31.44 30.44 2dx1 n GLU 296 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2dx1 n HIS 297 N -1.81 0.58 -0.16 -0.32 8.25 0.04 -4.80 115.22 117.01 2dx1 n HIS 297 Ca 0.05 -0.63 -0.04 0.00 -0.26 0.00 0.00 57.72 56.83 2dx1 n HIS 297 Cb 0.29 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 2dx1 n HIS 297 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2dx1 n GLN 298 N 0.07 -0.16 -0.29 -0.41 7.27 -1.08 -0.47 117.38 122.32 2dx1 n GLN 298 Ca 0.14 1.17 0.11 0.00 0.07 0.00 0.00 57.00 58.49 2dx1 n GLN 298 Cb 0.57 -1.75 0.26 0.00 2.41 0.00 0.00 30.24 31.74 2dx1 n GLN 298 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dx1 h ALA 299 N -0.43 1.26 -0.80 1.69 0.00 -1.88 0.70 119.26 119.79 2dx1 h ALA 299 Ca 0.06 0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.24 2dx1 h ALA 299 Cb 0.15 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2dx1 h ALA 299 CO -0.35 -0.35 0.52 -0.44 0.00 0.00 0.00 179.25 178.63 2dx1 h ASP 300 N 0.34 0.66 0.97 0.00 5.19 -1.12 0.29 116.42 122.74 2dx1 h ASP 300 Ca 0.51 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 2dx1 h ASP 300 Cb 0.95 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.34 2dx1 h ASP 300 CO -0.54 0.39 0.00 0.49 -3.12 0.00 0.00 179.24 176.46 2dx1 n PHE 301 N -4.51 0.38 0.24 4.55 0.99 0.22 -2.60 117.46 116.73 2dx1 n PHE 301 Ca 0.14 0.12 0.11 0.00 -0.00 0.00 0.00 57.45 57.82 2dx1 n PHE 301 Cb 0.34 -0.70 0.57 0.00 -1.00 0.00 0.00 39.48 38.68 2dx1 n PHE 301 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 2dx1 h GLN 302 N 0.00 0.00 0.00 -1.08 1.08 -0.16 -2.58 115.11 112.37 2dx1 h GLN 302 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2dx1 h GLN 302 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2dx1 h GLN 302 CO 0.00 0.20 0.00 0.44 -0.95 0.00 0.00 178.83 178.52 2dx1 n ILE 303 N -3.53 0.61 0.19 2.54 -5.35 -1.07 -2.34 119.36 110.41 2dx1 n ILE 303 Ca -0.01 0.15 0.05 0.00 -0.27 0.00 0.00 62.75 62.68 2dx1 n ILE 303 Cb 0.35 -0.88 0.34 0.00 -1.74 0.00 0.00 39.64 37.71 2dx1 n ILE 303 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 2dx1 h TYR 304 N 0.00 0.00 -0.32 4.28 -1.99 -1.68 -3.16 116.97 114.11 2dx1 h TYR 304 Ca 0.00 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.78 2dx1 h TYR 304 Cb 0.18 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.87 2dx1 h TYR 304 CO 0.00 0.39 0.06 0.77 -0.00 0.00 0.00 178.16 179.38 2dx1 h SER 305 N 0.00 0.01 0.04 3.88 0.02 -1.68 0.15 113.55 115.97 2dx1 h SER 305 Ca -0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2dx1 h SER 305 Cb 0.86 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 2dx1 h SER 305 CO 0.05 0.04 -0.03 -0.08 -1.14 0.00 0.00 176.83 175.67 2dx1 h GLU 306 N 0.17 -0.08 0.19 3.45 4.81 -1.75 0.17 114.58 121.55 2dx1 h GLU 306 Ca 0.15 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2dx1 h GLU 306 Cb 0.16 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 2dx1 h GLU 306 CO -0.20 -0.05 -0.37 -0.92 -0.73 0.00 0.00 179.01 176.74 2dx1 h TYR 307 N -0.08 -1.03 -0.26 0.92 3.20 -1.39 -1.33 116.97 117.00 2dx1 h TYR 307 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2dx1 h TYR 307 Cb 0.08 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2dx1 h TYR 307 CO -0.09 -0.49 -0.03 0.00 -1.64 0.00 0.00 178.16 175.91 2dx1 h ASN 309 N 0.38 1.00 0.85 0.00 2.35 -0.26 -2.85 115.58 117.04 2dx1 h ASN 309 Ca 0.08 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2dx1 h ASN 309 Cb 0.30 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2dx1 h ASN 309 CO 0.01 1.04 -0.28 -3.20 -1.65 0.00 0.00 177.43 173.35 2dx1 n ASN 310 N -4.19 0.39 -0.32 5.81 5.15 -0.54 -4.24 115.26 117.32 2dx1 n ASN 310 Ca 0.03 0.17 0.03 0.00 -0.60 0.00 0.00 54.58 54.22 2dx1 n ASN 310 Cb 0.33 -0.15 0.18 0.00 -0.53 0.00 0.00 39.78 39.61 2dx1 n ASN 310 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 2dx1 h HIS 311 N 0.00 1.01 -0.99 1.20 2.76 -0.94 -1.60 115.15 116.59 2dx1 h HIS 311 Ca 0.00 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.25 2dx1 h HIS 311 Cb 0.57 -0.32 -0.06 0.00 1.55 0.00 0.00 27.41 29.15 2dx1 h HIS 311 CO 0.00 0.45 0.64 -1.35 -1.30 0.00 0.00 177.93 176.38 2dx1 h PRO 312 N 0.94 1.17 -0.62 5.26 0.11 -1.75 -1.71 132.00 135.41 2dx1 h PRO 312 Ca 0.42 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.39 2dx1 h PRO 312 Cb 0.32 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.14 2dx1 h PRO 312 CO -0.22 0.78 0.10 -0.91 -0.21 0.00 0.00 178.00 177.53 2dx1 h ASN 313 N 1.21 0.95 -0.67 -2.05 2.35 -1.59 -2.19 115.58 113.58 2dx1 h ASN 313 Ca 0.41 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2dx1 h ASN 313 Cb 0.08 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 2dx1 h ASN 313 CO -0.14 0.95 0.39 0.00 -1.65 0.00 0.00 177.43 176.98 2dx1 h ALA 314 N 1.16 0.86 -0.99 -0.83 0.00 -0.69 -1.58 119.26 117.19 2dx1 h ALA 314 Ca 0.19 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2dx1 h ALA 314 Cb 0.41 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2dx1 h ALA 314 CO 0.01 0.36 0.65 0.00 0.00 0.00 0.00 179.25 180.27 2dx1 h VAL 316 N 1.35 1.20 -0.65 0.00 2.07 -1.04 0.19 116.25 119.37 2dx1 h VAL 316 Ca 0.36 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2dx1 h VAL 316 Cb -0.15 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2dx1 h VAL 316 CO -0.08 0.19 0.24 -0.08 0.02 0.00 0.00 177.57 177.86 2dx1 h GLU 317 N 0.08 0.96 0.16 1.57 4.57 -0.88 -1.62 114.58 119.43 2dx1 h GLU 317 Ca 0.05 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 2dx1 h GLU 317 Cb 0.25 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2dx1 h GLU 317 CO -0.00 0.80 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.48 2dx1 h LEU 318 N 0.94 -0.18 -0.44 1.64 3.38 -0.65 -0.57 115.31 119.44 2dx1 h LEU 318 Ca 0.22 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.13 2dx1 h LEU 318 Cb 0.21 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 2dx1 h LEU 318 CO -0.02 0.04 -0.30 -1.28 0.09 0.00 0.00 178.44 176.97 2dx1 h SER 319 N -0.41 -1.02 0.10 -0.43 0.87 -0.40 0.43 113.55 112.68 2dx1 h SER 319 Ca -0.02 0.19 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2dx1 h SER 319 Cb 0.32 0.50 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 2dx1 h SER 319 CO 0.04 -0.30 -0.53 -0.09 -0.53 0.00 0.00 176.83 175.41 2dx1 h ARG 320 N -0.21 -0.71 -0.53 2.24 2.43 -1.10 -1.55 114.38 114.96 2dx1 h ARG 320 Ca 0.19 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.50 2dx1 h ARG 320 Cb 0.53 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 2dx1 h ARG 320 CO -0.56 -0.47 0.36 -0.07 -1.51 0.00 0.00 179.97 177.72 2dx1 h LEU 321 N -0.73 0.30 -1.82 3.80 3.38 -0.38 -0.11 115.31 119.74 2dx1 h LEU 321 Ca -0.00 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.13 2dx1 h LEU 321 Cb 0.75 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2dx1 h LEU 321 CO -0.30 0.18 0.45 0.74 0.09 0.00 0.00 178.44 179.60 2dx1 h THR 322 N 0.33 0.75 -0.09 0.22 2.02 0.89 0.16 112.91 117.19 2dx1 h THR 322 Ca 0.24 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.36 2dx1 h THR 322 Cb 0.53 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2dx1 h THR 322 CO -0.06 0.03 0.00 0.29 0.37 0.00 0.00 175.52 176.15 2dx1 n LYS 323 N -4.41 1.21 -3.99 6.66 5.02 -0.05 -4.67 118.16 117.92 2dx1 n LYS 323 Ca 0.12 -0.33 -0.31 0.00 -2.02 0.00 0.00 58.31 55.78 2dx1 n LYS 323 Cb 0.60 -1.08 -0.15 0.00 -0.02 0.00 0.00 35.03 34.38 2dx1 n LYS 323 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dx1 s LEU 324 N -1.01 4.04 0.23 -0.35 1.43 0.55 -5.01 118.68 118.56 2dx1 s LEU 324 Ca 0.07 -1.86 -0.03 0.00 -1.03 0.00 0.00 54.13 51.27 2dx1 s LEU 324 Cb 0.03 -1.49 0.45 0.00 0.03 0.00 0.00 46.19 45.22 2dx1 s LEU 324 CO 0.05 -0.33 1.23 -1.54 0.23 0.00 0.00 176.35 175.99 2dx1 n SER 325 N 4.39 -0.21 0.03 2.29 3.41 -1.26 0.54 113.62 122.81 2dx1 n SER 325 Ca -0.02 1.35 0.08 0.00 -0.26 0.00 0.00 58.87 60.03 2dx1 n SER 325 Cb 0.42 -0.44 0.51 0.00 -0.26 0.00 0.00 64.21 64.44 2dx1 n SER 325 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2dx1 h LYS 326 N 0.00 0.36 0.12 4.33 2.10 -1.95 -0.32 116.57 121.21 2dx1 h LYS 326 Ca 0.42 -0.02 -0.28 0.00 -2.00 0.00 0.00 60.65 58.77 2dx1 h LYS 326 Cb 0.73 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2dx1 h LYS 326 CO -0.79 0.24 -1.31 1.88 -2.00 0.00 0.00 179.45 177.47 2dx1 h TYR 327 N 0.37 0.45 -0.77 0.07 -1.99 -0.17 -2.57 116.97 112.36 2dx1 h TYR 327 Ca 0.17 -0.33 -0.01 0.00 2.00 0.00 0.00 58.73 60.56 2dx1 h TYR 327 Cb 0.20 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.87 2dx1 h TYR 327 CO -0.00 1.29 0.45 0.28 -0.00 0.00 0.00 178.16 180.18 2dx1 h VAL 328 N 0.07 1.22 0.20 -2.88 2.07 -0.68 -0.89 116.25 115.37 2dx1 h VAL 328 Ca -0.16 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2dx1 h VAL 328 Cb 1.98 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2dx1 h VAL 328 CO 0.19 0.24 -0.10 1.88 0.02 0.00 0.00 177.57 179.80 2dx1 h TYR 329 N 1.06 -0.26 -0.79 1.57 0.99 -1.15 -2.06 116.97 116.34 2dx1 h TYR 329 Ca 0.28 -0.01 0.14 0.00 2.00 0.00 0.00 58.73 61.14 2dx1 h TYR 329 Cb -0.02 0.08 -0.09 0.00 1.00 0.00 0.00 36.73 37.71 2dx1 h TYR 329 CO -0.00 0.13 0.37 0.35 -0.00 0.00 0.00 178.16 179.00 2dx1 h PHE 330 N -0.74 0.64 -0.11 4.88 3.57 -1.37 0.34 116.94 124.15 2dx1 h PHE 330 Ca -0.03 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2dx1 h PHE 330 Cb 0.50 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2dx1 h PHE 330 CO 0.05 0.14 -0.36 0.74 -2.23 0.00 0.00 178.31 176.65 2dx1 h PHE 331 N 0.54 0.25 -0.18 0.41 0.05 -1.17 -0.78 116.94 116.07 2dx1 h PHE 331 Ca 0.43 -0.06 -0.19 0.00 3.82 0.00 0.00 57.97 61.96 2dx1 h PHE 331 Cb 0.60 -0.06 0.01 0.00 2.00 0.00 0.00 35.95 38.50 2dx1 h PHE 331 CO -0.13 0.55 -0.65 1.49 -0.18 0.00 0.00 178.31 179.40 2dx1 h GLU 332 N 0.19 0.76 -0.28 1.51 4.81 -0.22 -2.64 114.58 118.71 2dx1 h GLU 332 Ca 0.02 -0.57 0.05 0.00 -0.13 0.00 0.00 59.36 58.73 2dx1 h GLU 332 Cb 0.72 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2dx1 h GLU 332 CO 0.05 1.19 0.19 0.00 -0.73 0.00 0.00 179.01 179.72 2dx1 h ALA 333 N 0.57 2.08 -0.40 2.92 0.00 -0.02 -1.35 119.26 123.05 2dx1 h ALA 333 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2dx1 h ALA 333 Cb 1.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2dx1 h ALA 333 CO 0.14 -0.14 0.18 0.00 0.00 0.00 0.00 179.25 179.43 2dx1 h ARG 335 N 0.50 0.70 0.00 0.00 3.08 -1.18 -2.51 114.38 114.97 2dx1 h ARG 335 Ca 0.14 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2dx1 h ARG 335 Cb 0.15 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2dx1 h ARG 335 CO -0.01 1.03 0.00 -0.11 -1.07 0.00 0.00 179.97 179.81 2dx1 n LEU 336 N -4.00 0.00 0.00 3.04 7.94 -0.67 -1.45 117.00 121.85 2dx1 n LEU 336 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 2dx1 n LEU 336 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2dx1 n LEU 336 CO 0.48 0.00 -0.35 0.18 -1.11 0.00 0.00 177.39 176.58 2dx1 n LEU 337 N -0.80 0.00 -0.11 -1.96 4.77 -1.13 -4.71 117.00 113.06 2dx1 n LEU 337 Ca 0.06 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.15 2dx1 n LEU 337 Cb 0.03 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 2dx1 n LEU 337 CO 0.04 0.00 0.21 1.67 -1.33 0.00 0.00 177.39 177.98 2dx1 n GLN 338 N -1.26 0.29 -1.89 3.23 -0.06 -0.96 -5.13 117.38 111.59 2dx1 n GLN 338 Ca 0.00 -0.22 0.00 0.00 -2.00 0.00 0.00 57.00 54.78 2dx1 n GLN 338 Cb 0.15 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.83 2dx1 n GLN 338 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2dx1 n LYS 339 N -1.17 -3.85 -3.40 3.69 3.00 -0.53 -5.06 118.16 110.83 2dx1 n LYS 339 Ca 0.06 2.73 -0.33 0.00 -0.00 0.00 0.00 58.31 60.78 2dx1 n LYS 339 Cb 0.36 -3.13 -0.05 0.00 0.00 0.00 0.00 35.03 32.20 2dx1 n LYS 339 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2dx1 s ILE 341 N -0.74 4.91 -1.19 3.15 1.01 -1.26 -5.11 121.20 121.98 2dx1 s ILE 341 Ca 0.00 0.55 -0.16 0.00 0.00 0.00 0.00 60.65 61.04 2dx1 s ILE 341 Cb 0.00 -3.64 0.14 0.00 0.01 0.00 0.00 42.46 38.97 2dx1 s ILE 341 CO 0.00 -0.01 1.47 -0.62 0.00 0.00 0.00 174.94 175.78 2dx1 s ASP 342 N -2.23 6.93 0.04 3.58 -1.08 -1.26 -4.87 116.67 117.78 2dx1 s ASP 342 Ca 0.46 -2.67 -0.02 0.00 -0.52 0.00 0.00 52.55 49.80 2dx1 s ASP 342 Cb -0.12 -2.45 -0.03 0.00 -1.46 0.00 0.00 42.92 38.86 2dx1 s ASP 342 CO 0.21 -0.93 0.00 -0.63 0.52 0.00 0.00 175.17 174.34 2dx1 s ILE 343 N 2.53 0.16 0.73 4.11 1.01 -1.26 -5.17 121.20 123.32 2dx1 s ILE 343 Ca 0.44 -1.35 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 2dx1 s ILE 343 Cb -0.01 -0.97 0.05 0.00 0.01 0.00 0.00 42.46 41.54 2dx1 s ILE 343 CO 0.00 -0.74 1.08 -0.94 0.00 0.00 0.00 174.94 174.34 2dx1 s SER 344 N -2.27 4.91 0.52 3.58 1.04 -1.26 -4.87 113.70 115.34 2dx1 s SER 344 Ca -0.03 0.74 0.18 0.00 0.48 0.00 0.00 55.95 57.31 2dx1 s SER 344 Cb 0.00 -1.40 1.28 0.00 0.10 0.00 0.00 66.02 66.01 2dx1 s SER 344 CO -0.06 -1.60 2.12 0.25 0.98 0.00 0.00 173.24 174.92 2dx1 h LEU 345 N -0.73 0.02 -0.69 2.42 5.85 -1.99 -0.25 115.31 119.93 2dx1 h LEU 345 Ca -0.45 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.13 2dx1 h LEU 345 Cb 1.30 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 2dx1 h LEU 345 CO 0.63 0.01 -0.54 0.44 -0.34 0.00 0.00 178.44 178.64 2dx1 h ASP 346 N 0.02 0.35 -0.08 1.25 3.32 -1.99 -2.05 116.42 117.25 2dx1 h ASP 346 Ca 0.05 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 2dx1 h ASP 346 Cb 0.20 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2dx1 h ASP 346 CO -0.00 0.83 -0.07 1.23 -1.72 0.00 0.00 179.24 179.51 2dx1 h GLY 347 N 1.31 0.20 0.25 2.75 0.00 -1.43 -2.89 103.07 103.26 2dx1 h GLY 347 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.19 2dx1 h GLY 347 CO 0.09 0.18 -0.26 0.74 0.00 0.00 0.00 176.54 177.29 2dx1 h PHE 348 N -0.24 -0.69 0.00 5.60 0.05 -1.30 -1.61 116.94 118.75 2dx1 h PHE 348 Ca 0.01 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.84 2dx1 h PHE 348 Cb 0.57 0.32 0.00 0.00 2.00 0.00 0.00 35.95 38.85 2dx1 h PHE 348 CO 0.09 -0.34 0.00 1.28 -0.18 0.00 0.00 178.31 179.16 2dx1 n LEU 349 N -5.38 0.37 0.06 1.54 4.77 -0.78 -0.89 117.00 116.69 2dx1 n LEU 349 Ca -0.03 0.65 0.11 0.00 -0.03 0.00 0.00 56.01 56.72 2dx1 n LEU 349 Cb 0.29 -0.66 0.01 0.00 -2.33 0.00 0.00 43.42 40.73 2dx1 n LEU 349 CO 0.17 -0.69 -0.05 0.18 -1.33 0.00 0.00 177.39 175.68 2dx1 n LEU 350 N -1.97 0.63 -0.31 2.23 4.77 -0.63 -4.43 117.00 117.29 2dx1 n LEU 350 Ca 0.00 0.14 0.05 0.00 -0.03 0.00 0.00 56.01 56.18 2dx1 n LEU 350 Cb 0.07 -0.08 0.20 0.00 -2.33 0.00 0.00 43.42 41.28 2dx1 n LEU 350 CO 0.09 -0.06 1.16 0.71 -1.33 0.00 0.00 177.39 177.96 2dx1 h THR 351 N 0.00 0.87 -0.67 -5.08 1.35 -0.76 -1.05 112.91 107.57 2dx1 h THR 351 Ca 0.00 -0.28 -0.04 0.00 -0.55 0.00 0.00 66.41 65.54 2dx1 h THR 351 Cb 0.87 -0.02 -0.03 0.00 -1.73 0.00 0.00 68.15 67.24 2dx1 h THR 351 CO 0.00 0.15 0.25 -0.65 -0.25 0.00 0.00 175.52 175.02 2dx1 h PRO 352 N 0.82 1.00 -0.34 4.72 0.11 -1.77 0.16 132.00 136.70 2dx1 h PRO 352 Ca 0.45 -0.18 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 2dx1 h PRO 352 Cb 0.47 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 2dx1 h PRO 352 CO -0.28 0.83 -0.20 0.28 -0.21 0.00 0.00 178.00 178.43 2dx1 h VAL 353 N 0.98 1.26 -0.09 3.15 2.07 -1.49 -2.72 116.25 119.41 2dx1 h VAL 353 Ca 0.22 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 2dx1 h VAL 353 Cb 0.22 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2dx1 h VAL 353 CO -0.02 0.41 -0.17 1.56 0.02 0.00 0.00 177.57 179.37 2dx1 h GLN 354 N 0.56 0.27 0.06 1.57 4.20 -0.56 -3.13 115.11 118.08 2dx1 h GLN 354 Ca 0.09 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.65 2dx1 h GLN 354 Cb 0.65 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 2dx1 h GLN 354 CO 0.05 0.76 -0.25 -0.22 -0.67 0.00 0.00 178.83 178.49 2dx1 h LYS 355 N -0.19 -0.41 -0.89 1.46 1.63 -0.69 0.16 116.57 117.64 2dx1 h LYS 355 Ca 0.00 0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 2dx1 h LYS 355 Cb 0.75 0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 32.42 2dx1 h LYS 355 CO 0.04 -0.27 0.58 0.97 -3.45 0.00 0.00 179.45 177.32 2dx1 h ILE 356 N -0.43 1.12 0.00 2.00 6.09 -1.61 0.01 117.51 124.69 2dx1 h ILE 356 Ca 0.05 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 2dx1 h ILE 356 Cb 0.48 -0.05 0.00 0.00 0.47 0.00 0.00 36.82 37.72 2dx1 h ILE 356 CO -0.19 0.20 0.00 0.00 -3.07 0.00 0.00 178.15 175.09 2dx1 h LYS 358 N 0.00 0.34 -0.81 0.00 3.64 0.11 -3.38 116.57 116.48 2dx1 h LYS 358 Ca 0.00 -0.58 0.20 0.00 -1.27 0.00 0.00 60.65 59.00 2dx1 h LYS 358 Cb 0.75 0.22 -0.15 0.00 -0.41 0.00 0.00 32.23 32.63 2dx1 h LYS 358 CO 0.00 1.28 -0.05 0.66 -2.27 0.00 0.00 179.45 179.07 2dx1 n TYR 359 N -3.93 0.45 0.29 1.91 0.53 -0.39 0.11 117.16 116.12 2dx1 n TYR 359 Ca -0.19 0.98 0.16 0.00 -1.02 0.00 0.00 57.90 57.82 2dx1 n TYR 359 Cb 0.93 -1.06 0.90 0.00 -1.03 0.00 0.00 39.34 39.07 2dx1 n TYR 359 CO 0.00 0.00 0.00 -1.35 -1.02 0.00 0.00 176.86 174.49 2dx1 h PRO 360 N 0.00 0.00 0.12 -0.72 0.11 -1.75 -0.81 132.00 128.95 2dx1 h PRO 360 Ca 0.46 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.31 2dx1 h PRO 360 Cb 0.88 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.02 2dx1 h PRO 360 CO -0.78 0.04 -1.09 -0.07 -0.21 0.00 0.00 178.00 175.89 2dx1 h LEU 361 N 0.00 0.74 0.23 2.35 3.38 0.51 -2.59 115.31 119.93 2dx1 h LEU 361 Ca -0.00 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 57.11 2dx1 h LEU 361 Cb 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2dx1 h LEU 361 CO 0.01 1.52 -0.11 1.56 0.09 0.00 0.00 178.44 181.51 2dx1 h GLN 362 N 0.07 -0.29 0.00 1.13 4.20 -0.99 -1.91 115.11 117.32 2dx1 h GLN 362 Ca -0.17 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 2dx1 h GLN 362 Cb 1.80 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.65 2dx1 h GLN 362 CO 0.21 -0.07 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.22 2dx1 h LEU 363 N -0.47 0.00 -0.22 1.46 3.38 -1.28 -1.04 115.31 117.14 2dx1 h LEU 363 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2dx1 h LEU 363 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2dx1 h LEU 363 CO 0.05 0.01 -0.41 0.00 0.09 0.00 0.00 178.44 178.18 2dx1 h ALA 364 N 1.99 0.34 0.00 1.53 0.00 -1.16 -1.50 119.26 120.48 2dx1 h ALA 364 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2dx1 h ALA 364 Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2dx1 h ALA 364 CO 0.00 0.45 -0.30 1.49 0.00 0.00 0.00 179.25 180.90 2dx1 h GLU 365 N 0.36 0.00 -0.21 0.00 4.81 -0.79 -1.75 114.58 117.00 2dx1 h GLU 365 Ca 0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2dx1 h GLU 365 Cb 1.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2dx1 h GLU 365 CO 0.09 0.30 -0.07 1.25 -0.73 0.00 0.00 179.01 179.85 2dx1 h LEU 366 N 0.00 0.42 -0.58 1.64 5.85 -1.03 -2.98 115.31 118.63 2dx1 h LEU 366 Ca -0.00 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 2dx1 h LEU 366 Cb 0.92 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2dx1 h LEU 366 CO 0.04 0.71 0.34 0.25 -0.34 0.00 0.00 178.44 179.43 2dx1 h LEU 367 N 0.13 0.70 -2.20 2.25 5.85 -1.08 -1.80 115.31 119.16 2dx1 h LEU 367 Ca 0.05 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2dx1 h LEU 367 Cb 0.53 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2dx1 h LEU 367 CO 0.02 0.57 0.25 0.50 -0.34 0.00 0.00 178.44 179.45 2dx1 h LYS 368 N 0.78 0.00 -0.15 1.25 3.64 -1.21 0.00 116.57 120.88 2dx1 h LYS 368 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2dx1 h LYS 368 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2dx1 h LYS 368 CO -0.04 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.80 2dx1 n TYR 369 N -3.58 0.48 -3.89 1.91 4.02 -0.74 -4.96 117.16 110.40 2dx1 n TYR 369 Ca 0.02 -0.85 -0.36 0.00 -0.01 0.00 0.00 57.90 56.70 2dx1 n TYR 369 Cb 0.37 -0.21 -0.11 0.00 -0.02 0.00 0.00 39.34 39.38 2dx1 n TYR 369 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2dx1 s THR 370 N -2.52 4.66 0.39 -0.72 2.01 -0.02 -4.47 115.64 114.98 2dx1 s THR 370 Ca 0.33 -0.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.02 2dx1 s THR 370 Cb 0.27 -3.14 -0.12 0.00 0.01 0.00 0.00 72.50 69.52 2dx1 s THR 370 CO 0.07 0.39 0.88 1.41 -0.69 0.00 0.00 174.62 176.69 2dx1 n HIS 371 N 4.18 0.74 0.18 4.92 8.25 -1.26 -4.80 115.22 127.42 2dx1 n HIS 371 Ca -0.16 0.60 0.11 0.00 -0.26 0.00 0.00 57.72 58.01 2dx1 n HIS 371 Cb 0.52 -2.17 0.58 0.00 1.12 0.00 0.00 29.99 30.04 2dx1 n HIS 371 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2dx1 h PRO 372 N 1.41 0.00 -0.53 -0.41 0.13 -1.97 -1.90 132.00 128.73 2dx1 h PRO 372 Ca -0.42 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.36 2dx1 h PRO 372 Cb 1.36 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.09 2dx1 h PRO 372 CO 0.56 0.00 -0.98 1.04 -0.23 0.00 0.00 178.00 178.39 2dx1 n GLN 373 N -2.27 2.39 -2.60 0.86 6.02 -1.26 -4.94 117.38 115.58 2dx1 n GLN 373 Ca -0.01 -3.70 -0.31 0.00 -0.01 0.00 0.00 57.00 52.96 2dx1 n GLN 373 Cb 0.11 -1.81 -0.03 0.00 1.02 0.00 0.00 30.24 29.53 2dx1 n GLN 373 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2dx1 s HIS 374 N -3.56 3.46 0.25 1.08 2.46 -0.72 -4.96 115.29 113.31 2dx1 s HIS 374 Ca 0.37 1.27 -0.05 0.00 0.47 0.00 0.00 55.06 57.11 2dx1 s HIS 374 Cb 0.36 -2.63 0.32 0.00 -0.13 0.00 0.00 32.58 30.50 2dx1 s HIS 374 CO -0.01 -0.25 1.88 0.00 -2.47 0.00 0.00 174.74 173.88 2dx1 h ARG 375 N 1.05 1.09 0.00 2.88 3.08 -1.95 -2.64 114.38 117.90 2dx1 h ARG 375 Ca -0.47 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.42 2dx1 h ARG 375 Cb 1.19 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 2dx1 h ARG 375 CO 0.63 0.72 -0.44 0.22 -1.07 0.00 0.00 179.97 180.02 2dx1 h ASP 376 N 1.12 0.00 -0.74 7.04 3.58 -1.92 -3.39 116.42 122.12 2dx1 h ASP 376 Ca 0.38 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.91 2dx1 h ASP 376 Cb 0.07 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.01 2dx1 h ASP 376 CO -0.14 0.44 -0.54 0.15 -2.88 0.00 0.00 179.24 176.27 2dx1 h PHE 377 N 0.00 -1.67 -0.07 0.28 3.57 -1.74 -0.77 116.94 116.55 2dx1 h PHE 377 Ca -0.00 0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.64 2dx1 h PHE 377 Cb 1.13 0.83 -0.05 0.00 2.79 0.00 0.00 35.95 40.65 2dx1 h PHE 377 CO 0.00 -0.42 -0.21 0.87 -2.23 0.00 0.00 178.31 176.32 2dx1 h LYS 378 N -0.17 -0.28 -0.49 1.11 1.57 -1.76 -2.11 116.57 114.44 2dx1 h LYS 378 Ca 0.15 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2dx1 h LYS 378 Cb 0.51 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2dx1 h LYS 378 CO -0.79 -0.19 0.32 -0.44 -0.57 0.00 0.00 179.45 177.78 2dx1 h ASP 379 N -0.29 0.56 -0.18 0.86 3.32 -1.69 -1.73 116.42 117.26 2dx1 h ASP 379 Ca 0.08 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.14 2dx1 h ASP 379 Cb 0.41 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2dx1 h ASP 379 CO -0.24 0.42 0.02 0.58 -1.72 0.00 0.00 179.24 178.29 2dx1 h VAL 380 N 0.66 0.89 -0.49 -1.35 2.07 -1.01 0.97 116.25 117.99 2dx1 h VAL 380 Ca 0.18 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.75 2dx1 h VAL 380 Cb -0.06 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2dx1 h VAL 380 CO -0.04 0.02 0.34 -0.08 0.02 0.00 0.00 177.57 177.82 2dx1 h GLU 381 N 0.08 0.30 0.01 1.57 4.81 -1.11 0.40 114.58 120.65 2dx1 h GLU 381 Ca 0.08 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 2dx1 h GLU 381 Cb 0.09 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.41 2dx1 h GLU 381 CO -0.13 0.20 -0.31 0.00 -0.73 0.00 0.00 179.01 178.04 2dx1 h ALA 382 N 1.75 0.02 -0.96 2.92 0.00 -0.04 -2.53 119.26 120.41 2dx1 h ALA 382 Ca 0.23 -0.50 0.10 0.00 0.00 0.00 0.00 54.91 54.74 2dx1 h ALA 382 Cb 0.49 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2dx1 h ALA 382 CO -0.05 0.13 0.60 0.00 0.00 0.00 0.00 179.25 179.93 2dx1 h ALA 383 N 0.23 1.42 0.30 0.00 0.00 0.21 -1.76 119.26 119.66 2dx1 h ALA 383 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2dx1 h ALA 383 Cb 1.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2dx1 h ALA 383 CO 0.06 0.24 -0.15 1.25 0.00 0.00 0.00 179.25 180.65 2dx1 h LEU 384 N 0.99 -0.35 -0.49 0.00 5.85 -0.24 -3.05 115.31 118.02 2dx1 h LEU 384 Ca 0.46 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.25 2dx1 h LEU 384 Cb 0.40 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 2dx1 h LEU 384 CO -0.24 -0.20 -0.02 -0.74 -0.34 0.00 0.00 178.44 176.90 2dx1 h HIS 385 N -0.47 -0.07 0.00 1.25 2.76 -0.94 -1.03 115.15 116.65 2dx1 h HIS 385 Ca -0.04 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2dx1 h HIS 385 Cb 0.35 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.42 2dx1 h HIS 385 CO -0.04 -0.13 0.00 0.00 -1.30 0.00 0.00 177.93 176.46 2dx1 n ALA 386 N -2.69 1.88 0.00 5.26 0.00 -0.73 -2.87 120.51 121.36 2dx1 n ALA 386 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2dx1 n ALA 386 Cb 0.27 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2dx1 n ALA 386 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dx1 n LYS 388 N 0.86 0.00 -0.15 0.00 5.02 -0.39 -2.77 118.16 120.72 2dx1 n LYS 388 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 2dx1 n LYS 388 Cb 0.18 0.00 0.52 0.00 -0.02 0.00 0.00 35.03 35.72 2dx1 n LYS 388 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2dx1 h ASN 389 N 0.00 0.35 0.11 4.39 2.35 -1.79 0.15 115.58 121.14 2dx1 h ASN 389 Ca 0.00 0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.62 2dx1 h ASN 389 Cb 0.00 -0.05 0.02 0.00 0.05 0.00 0.00 38.32 38.34 2dx1 h ASN 389 CO 0.00 0.18 -0.66 0.58 -1.65 0.00 0.00 177.43 175.88 2dx1 h VAL 390 N 0.37 1.56 -0.24 2.81 2.07 -1.83 -3.25 116.25 117.74 2dx1 h VAL 390 Ca 0.36 -2.49 -0.09 0.00 0.82 0.00 0.00 66.70 65.29 2dx1 h VAL 390 Cb 0.88 3.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.86 2dx1 h VAL 390 CO -0.11 0.70 -0.25 0.00 0.02 0.00 0.00 177.57 177.93 2dx1 h ALA 391 N 0.07 1.11 -0.60 1.67 0.00 -1.70 -2.59 119.26 117.23 2dx1 h ALA 391 Ca -0.12 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2dx1 h ALA 391 Cb 1.52 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2dx1 h ALA 391 CO 0.12 0.55 0.36 1.96 0.00 0.00 0.00 179.25 182.25 2dx1 h GLN 392 N 0.41 0.81 0.04 0.00 4.20 -0.84 0.29 115.11 120.03 2dx1 h GLN 392 Ca 0.06 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2dx1 h GLN 392 Cb 0.66 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2dx1 h GLN 392 CO 0.05 0.58 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.70 2dx1 h LEU 393 N 0.81 -0.05 -0.58 1.46 3.38 -1.56 0.45 115.31 119.21 2dx1 h LEU 393 Ca 0.21 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 57.90 2dx1 h LEU 393 Cb -0.02 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 2dx1 h LEU 393 CO -0.04 0.35 0.22 0.40 0.09 0.00 0.00 178.44 179.45 2dx1 h ILE 394 N -0.46 0.79 -0.25 1.22 2.04 -1.33 -1.95 117.51 117.58 2dx1 h ILE 394 Ca -0.01 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 2dx1 h ILE 394 Cb 0.41 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2dx1 h ILE 394 CO 0.01 0.07 -0.11 -1.13 0.00 0.00 0.00 178.15 177.00 2dx1 h ASN 395 N 0.40 0.53 -0.66 1.72 -1.24 -0.34 -2.17 115.58 113.82 2dx1 h ASN 395 Ca 0.29 -0.40 0.01 0.00 0.71 0.00 0.00 56.30 56.91 2dx1 h ASN 395 Cb 0.34 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.21 2dx1 h ASN 395 CO -0.28 0.81 0.43 -0.08 -1.29 0.00 0.00 177.43 177.02 2dx1 h GLU 396 N 0.24 0.85 0.04 6.67 4.57 -0.73 0.22 114.58 126.44 2dx1 h GLU 396 Ca 0.06 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2dx1 h GLU 396 Cb 0.61 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2dx1 h GLU 396 CO 0.03 0.56 -0.02 -0.09 -1.18 0.00 0.00 179.01 178.32 2dx1 h ARG 397 N 0.87 -0.05 -0.81 1.92 2.43 -1.30 0.11 114.38 117.56 2dx1 h ARG 397 Ca 0.25 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.48 2dx1 h ARG 397 Cb -0.08 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 2dx1 h ARG 397 CO -0.06 0.01 0.53 -0.22 -1.51 0.00 0.00 179.97 178.72 2dx1 h LYS 398 N -0.09 0.87 0.02 0.20 3.64 -1.02 -1.72 116.57 118.47 2dx1 h LYS 398 Ca -0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2dx1 h LYS 398 Cb 0.08 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2dx1 h LYS 398 CO 0.01 0.58 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.66 2dx1 h ARG 399 N 0.90 -0.03 -0.54 1.90 2.43 0.22 -2.08 114.38 117.18 2dx1 h ARG 399 Ca 0.35 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.60 2dx1 h ARG 399 Cb 0.21 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 2dx1 h ARG 399 CO -0.12 0.28 0.18 0.00 -1.51 0.00 0.00 179.97 178.80 2dx1 h ARG 400 N -0.33 0.35 -0.57 0.20 3.08 -0.22 -1.97 114.38 114.91 2dx1 h ARG 400 Ca -0.00 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2dx1 h ARG 400 Cb 0.32 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2dx1 h ARG 400 CO 0.00 0.23 0.04 -0.07 -1.07 0.00 0.00 179.97 179.11 2dx1 h LEU 401 N 0.36 0.90 -0.84 3.04 3.38 -1.30 -2.90 115.31 117.95 2dx1 h LEU 401 Ca 0.27 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2dx1 h LEU 401 Cb 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2dx1 h LEU 401 CO -0.28 0.94 -0.49 -0.33 0.09 0.00 0.00 178.44 178.36 2dx1 h GLU 402 N 0.88 0.21 -0.31 1.13 5.08 -0.94 -2.91 114.58 117.72 2dx1 h GLU 402 Ca 0.17 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2dx1 h GLU 402 Cb 0.45 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2dx1 h GLU 402 CO 0.02 0.66 0.13 -0.91 -1.00 0.00 0.00 179.01 177.91 2dx1 h ASN 403 N 0.17 0.42 -0.52 1.42 4.21 -1.18 0.24 115.58 120.35 2dx1 h ASN 403 Ca 0.01 -0.15 0.10 0.00 1.21 0.00 0.00 56.30 57.47 2dx1 h ASN 403 Cb 0.93 -0.11 -0.08 0.00 -1.12 0.00 0.00 38.32 37.94 2dx1 h ASN 403 CO 0.07 0.45 0.04 0.40 -1.29 0.00 0.00 177.43 177.11 2dx1 h ILE 404 N 0.36 0.64 0.05 2.81 1.08 -1.38 0.17 117.51 121.23 2dx1 h ILE 404 Ca 0.10 -0.06 -0.25 0.00 -0.39 0.00 0.00 64.86 64.27 2dx1 h ILE 404 Cb 0.15 0.46 0.01 0.00 -3.07 0.00 0.00 36.82 34.37 2dx1 h ILE 404 CO -0.01 0.03 -1.06 0.44 -0.69 0.00 0.00 178.15 176.86 2dx1 h ASP 405 N 0.16 0.54 -0.37 1.72 3.45 -1.31 -2.63 116.42 117.98 2dx1 h ASP 405 Ca 0.26 -0.47 -0.05 0.00 0.43 0.00 0.00 57.03 57.20 2dx1 h ASP 405 Cb 0.39 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 2dx1 h ASP 405 CO -0.40 1.30 0.05 0.11 -1.57 0.00 0.00 179.24 178.74 2dx1 h LYS 406 N 0.19 0.62 -0.44 3.56 1.79 -0.13 0.10 116.57 122.26 2dx1 h LYS 406 Ca -0.11 -0.17 0.01 0.00 -2.18 0.00 0.00 60.65 58.20 2dx1 h LYS 406 Cb 1.72 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 32.28 2dx1 h LYS 406 CO 0.18 0.68 0.29 0.82 -1.08 0.00 0.00 179.45 180.34 2dx1 h ILE 407 N 0.46 1.10 0.14 1.86 2.04 -0.73 0.82 117.51 123.20 2dx1 h ILE 407 Ca 0.11 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2dx1 h ILE 407 Cb 0.37 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2dx1 h ILE 407 CO 0.01 0.11 -0.07 0.00 0.00 0.00 0.00 178.15 178.20 2dx1 h ALA 408 N 1.17 -0.19 -0.75 1.87 0.00 -1.28 -0.84 119.26 119.24 2dx1 h ALA 408 Ca 0.16 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2dx1 h ALA 408 Cb -0.05 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2dx1 h ALA 408 CO -0.04 -0.49 0.45 1.96 0.00 0.00 0.00 179.25 181.13 2dx1 h GLN 409 N -0.44 0.81 0.49 0.00 4.20 -0.63 -2.31 115.11 117.24 2dx1 h GLN 409 Ca -0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2dx1 h GLN 409 Cb 0.35 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2dx1 h GLN 409 CO 0.03 0.54 -0.34 2.35 -0.67 0.00 0.00 178.83 180.74 2dx1 h TRP 410 N 0.84 -0.93 -0.92 2.96 7.01 0.89 -1.71 115.95 124.09 2dx1 h TRP 410 Ca 0.32 -0.00 0.26 0.00 2.11 0.00 0.00 58.89 61.57 2dx1 h TRP 410 Cb 0.13 0.34 -0.16 0.00 -2.10 0.00 0.00 29.16 27.38 2dx1 h TRP 410 CO -0.05 -0.50 0.15 0.37 -2.79 0.00 0.00 178.44 175.62 2dx1 h GLN 411 N -0.79 0.10 -0.49 2.65 4.15 -1.00 0.11 115.11 119.83 2dx1 h GLN 411 Ca -0.06 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 2dx1 h GLN 411 Cb 0.65 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 2dx1 h GLN 411 CO 0.04 0.06 0.30 1.03 -1.93 0.00 0.00 178.83 178.33 2dx1 h SER 412 N 0.10 0.58 0.37 -0.69 0.87 -1.10 -2.20 113.55 111.49 2dx1 h SER 412 Ca 0.58 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2dx1 h SER 412 Cb 1.21 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2dx1 h SER 412 CO -0.77 0.46 -0.01 0.77 -0.53 0.00 0.00 176.83 176.75 2dx1 h SER 413 N 0.66 0.00 -3.84 6.23 4.64 0.13 -3.43 113.55 117.94 2dx1 h SER 413 Ca 0.18 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.99 2dx1 h SER 413 Cb -0.02 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2dx1 h SER 413 CO -0.03 0.01 0.49 -0.63 -0.87 0.00 0.00 176.83 175.79 2dx1 s ILE 414 N -4.00 3.41 -0.04 0.95 1.01 -0.83 -4.80 121.20 116.90 2dx1 s ILE 414 Ca -0.03 1.36 -0.17 0.00 0.00 0.00 0.00 60.65 61.81 2dx1 s ILE 414 Cb 0.12 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2dx1 s ILE 414 CO 0.47 0.28 0.47 -1.61 0.00 0.00 0.00 174.94 174.55 2dx1 s GLU 415 N -1.67 4.16 -1.19 2.79 0.41 -0.27 -4.39 118.70 118.55 2dx1 s GLU 415 Ca 0.47 0.49 -0.05 0.00 -0.41 0.00 0.00 54.97 55.47 2dx1 s GLU 415 Cb -0.31 -3.32 -0.02 0.00 -1.78 0.00 0.00 34.13 28.69 2dx1 s GLU 415 CO 0.40 0.44 0.83 -0.25 -0.49 0.00 0.00 175.26 176.20 2dx1 n ASP 416 N 2.63 -3.58 -4.77 -0.19 8.00 -1.26 -0.86 116.55 116.52 2dx1 n ASP 416 Ca -0.10 -0.79 -0.41 0.00 0.71 0.00 0.00 54.79 54.20 2dx1 n ASP 416 Cb 0.52 -4.45 -0.02 0.00 -0.02 0.00 0.00 41.12 37.15 2dx1 n ASP 416 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2dx1 s TRP 417 N -3.50 3.08 0.00 1.24 -0.11 -1.26 -4.23 118.94 114.16 2dx1 s TRP 417 Ca 0.21 1.40 0.00 0.00 1.22 0.00 0.00 56.10 58.94 2dx1 s TRP 417 Cb -0.05 -3.67 0.00 0.00 -1.50 0.00 0.00 33.47 28.26 2dx1 s TRP 417 CO 0.79 -1.84 0.00 0.39 -4.62 0.00 0.00 176.95 171.67 2dx1 n GLU 418 N 0.96 0.00 0.00 5.86 -0.58 -1.26 -5.08 120.64 120.53 2dx1 n GLU 418 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2dx1 n GLU 418 Cb 0.42 -0.12 0.00 0.00 -0.57 0.00 0.00 31.44 31.17 2dx1 n GLU 418 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dx1 n GLY 419 N 3.00 -2.54 3.78 0.62 0.00 -1.26 -4.97 105.19 103.82 2dx1 n GLY 419 Ca 0.00 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 2dx1 n GLY 419 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dx1 s GLU 420 N 0.00 3.58 0.50 1.61 2.56 -1.26 -4.99 118.70 120.71 2dx1 s GLU 420 Ca 0.00 1.61 -0.23 0.00 0.00 0.00 0.00 54.97 56.35 2dx1 s GLU 420 Cb 0.00 -2.16 -0.07 0.00 2.00 0.00 0.00 34.13 33.90 2dx1 s GLU 420 CO 0.00 -0.66 1.30 -0.25 -0.56 0.00 0.00 175.26 175.09 2dx1 n ASP 421 N -0.95 2.54 -0.12 -1.70 9.92 -1.26 -4.93 116.55 120.05 2dx1 n ASP 421 Ca 0.10 1.02 -0.08 0.00 -0.53 0.00 0.00 54.79 55.30 2dx1 n ASP 421 Cb 0.50 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 2dx1 n ASP 421 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2dx1 h LEU 422 N 1.66 0.40 -2.50 0.64 3.38 -1.94 -2.70 115.31 114.24 2dx1 h LEU 422 Ca -0.50 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2dx1 h LEU 422 Cb 1.30 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2dx1 h LEU 422 CO 0.58 0.29 0.16 -0.07 0.09 0.00 0.00 178.44 179.49 2dx1 h LEU 423 N 0.48 0.00 -0.25 1.67 3.38 -1.92 0.32 115.31 118.99 2dx1 h LEU 423 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2dx1 h LEU 423 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2dx1 h LEU 423 CO -0.05 0.00 0.15 0.58 0.09 0.00 0.00 178.44 179.22 2dx1 h VAL 424 N 0.00 1.09 -0.00 1.22 2.07 -1.86 -3.31 116.25 115.46 2dx1 h VAL 424 Ca 0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2dx1 h VAL 424 Cb 0.33 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2dx1 h VAL 424 CO -0.00 0.09 -0.13 0.54 0.02 0.00 0.00 177.57 178.09 2dx1 n ARG 425 N -4.88 2.79 -4.38 1.57 1.74 -0.83 -5.05 116.66 107.62 2dx1 n ARG 425 Ca -0.02 -0.39 -0.19 0.00 -0.77 0.00 0.00 57.85 56.48 2dx1 n ARG 425 Cb 0.05 -0.91 -0.10 0.00 -1.02 0.00 0.00 32.46 30.48 2dx1 n ARG 425 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2dx1 s SER 426 N -1.02 2.51 0.00 0.55 0.01 0.11 -4.73 113.70 111.13 2dx1 s SER 426 Ca 0.04 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.16 2dx1 s SER 426 Cb 0.04 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2dx1 s SER 426 CO 0.15 -0.32 0.00 -1.54 0.41 0.00 0.00 173.24 171.94 2dx1 n SER 427 N -0.48 0.00 -3.74 2.44 3.41 -1.26 -4.13 113.62 109.86 2dx1 n SER 427 Ca -0.06 -0.29 -0.12 0.00 -0.26 0.00 0.00 58.87 58.13 2dx1 n SER 427 Cb 0.62 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 2dx1 n SER 427 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2dx1 s GLU 428 N 0.00 0.38 -0.29 4.33 2.12 -1.26 -4.37 118.70 119.61 2dx1 s GLU 428 Ca 0.00 0.55 -0.25 0.00 0.36 0.00 0.00 54.97 55.63 2dx1 s GLU 428 Cb 0.00 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.50 2dx1 s GLU 428 CO 0.00 -0.09 0.87 -1.17 -0.54 0.00 0.00 175.26 174.34 2dx1 s LEU 429 N 0.59 4.06 -0.01 2.70 2.96 -1.26 -1.31 118.68 126.40 2dx1 s LEU 429 Ca -0.03 0.89 -0.14 0.00 -0.22 0.00 0.00 54.13 54.62 2dx1 s LEU 429 Cb -0.05 -3.23 -0.33 0.00 0.50 0.00 0.00 46.19 43.08 2dx1 s LEU 429 CO -0.04 -0.64 0.85 0.40 -1.32 0.00 0.00 176.35 175.60 2dx1 h ILE 430 N 5.57 1.15 -1.46 6.68 1.08 -0.75 -3.48 117.51 126.30 2dx1 h ILE 430 Ca -0.23 -2.61 0.13 0.00 -0.39 0.00 0.00 64.86 61.77 2dx1 h ILE 430 Cb 1.09 2.94 -0.24 0.00 -3.07 0.00 0.00 36.82 37.54 2dx1 h ILE 430 CO 0.92 0.82 0.66 -0.47 -0.69 0.00 0.00 178.15 179.39 2dx1 s TYR 431 N -2.58 -0.27 0.14 1.37 5.04 -0.96 -4.97 117.35 115.11 2dx1 s TYR 431 Ca -0.12 0.44 -0.01 0.00 -2.44 0.00 0.00 57.07 54.94 2dx1 s TYR 431 Cb 0.04 0.47 -0.04 0.00 0.35 0.00 0.00 41.96 42.78 2dx1 s TYR 431 CO 0.90 -0.26 0.07 -1.54 -1.34 0.00 0.00 175.55 173.38 2dx1 s SER 432 N -1.19 0.28 0.00 4.32 1.04 -1.26 -0.97 113.70 115.92 2dx1 s SER 432 Ca 0.02 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.24 2dx1 s SER 432 Cb -0.01 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2dx1 s SER 432 CO -0.02 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2dx1 n GLY 433 N -0.11 4.76 3.34 7.32 0.00 -0.74 -5.02 105.19 114.74 2dx1 n GLY 433 Ca -0.05 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 2dx1 n GLY 433 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dx1 n GLU 434 N -1.92 0.09 -3.61 1.61 2.13 -1.26 -3.34 120.64 114.33 2dx1 n GLU 434 Ca 0.00 0.03 -0.10 0.00 0.66 0.00 0.00 57.16 57.75 2dx1 n GLU 434 Cb 0.00 -1.08 -0.06 0.00 0.27 0.00 0.00 31.44 30.57 2dx1 n GLU 434 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2dx1 s LEU 435 N 3.71 -0.41 -0.23 4.31 2.96 0.11 -4.83 118.68 124.31 2dx1 s LEU 435 Ca 0.61 0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 55.11 2dx1 s LEU 435 Cb -0.69 1.88 -0.02 0.00 0.50 0.00 0.00 46.19 47.86 2dx1 s LEU 435 CO 0.61 -0.25 0.01 0.42 -1.32 0.00 0.00 176.35 175.82 2dx1 s THR 436 N -0.41 3.88 0.17 3.68 -4.23 -0.05 -0.26 115.64 118.42 2dx1 s THR 436 Ca 0.01 -0.32 0.03 0.00 -1.18 0.00 0.00 61.69 60.22 2dx1 s THR 436 Cb -0.03 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.99 2dx1 s THR 436 CO -0.02 0.39 0.29 0.00 -0.54 0.00 0.00 174.62 174.73 2dx1 s ARG 437 N 1.42 3.39 -0.26 3.99 1.70 -0.34 -1.32 118.95 127.53 2dx1 s ARG 437 Ca 0.05 -0.65 0.03 0.00 -0.47 0.00 0.00 55.73 54.68 2dx1 s ARG 437 Cb -0.15 -2.92 0.06 0.00 -0.57 0.00 0.00 34.95 31.37 2dx1 s ARG 437 CO 0.01 0.50 -0.10 0.08 -1.08 0.00 0.00 175.30 174.71 2dx1 s VAL 438 N -1.79 2.22 -0.36 4.99 1.01 -0.74 -0.78 120.40 124.95 2dx1 s VAL 438 Ca 0.34 -1.65 -0.36 0.00 0.00 0.00 0.00 61.98 60.31 2dx1 s VAL 438 Cb -0.11 -2.32 -0.12 0.00 0.00 0.00 0.00 36.38 33.84 2dx1 s VAL 438 CO 0.28 -0.05 2.19 0.41 0.00 0.00 0.00 175.10 177.93 2dx1 n THR 439 N 4.44 0.17 0.15 3.92 -1.04 0.19 -4.55 114.28 117.55 2dx1 n THR 439 Ca -0.13 -0.23 0.05 0.00 -2.04 0.00 0.00 64.05 61.69 2dx1 n THR 439 Cb 0.42 -1.53 0.05 0.00 -1.82 0.00 0.00 70.33 67.45 2dx1 n THR 439 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 2dx1 h GLN 440 N 12.07 0.00 -0.12 -2.82 3.07 -1.92 -2.54 115.11 122.85 2dx1 h GLN 440 Ca -0.25 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.53 2dx1 h GLN 440 Cb 1.33 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.83 2dx1 h GLN 440 CO 1.03 0.37 -0.31 -1.35 0.09 0.00 0.00 178.83 178.66 2dx1 h PRO 441 N 0.00 -0.38 0.00 0.06 0.11 -1.96 -3.41 132.00 126.43 2dx1 h PRO 441 Ca -0.01 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2dx1 h PRO 441 Cb 1.31 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.50 2dx1 h PRO 441 CO 0.05 -0.25 0.00 1.04 -0.21 0.00 0.00 178.00 178.63 2dx1 n GLN 442 N -5.40 0.00 0.00 1.05 6.02 -1.25 -5.08 117.38 112.71 2dx1 n GLN 442 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2dx1 n GLN 442 Cb 0.32 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.58 2dx1 n GLN 442 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dx1 n ALA 443 N -3.00 0.00 -1.69 -1.58 0.00 -0.96 -5.04 120.51 108.24 2dx1 n ALA 443 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2dx1 n ALA 443 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2dx1 n ALA 443 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2dx1 s LYS 444 N 0.00 2.92 -0.02 0.00 -0.14 -1.24 -4.68 119.74 116.57 2dx1 s LYS 444 Ca 0.00 1.76 0.07 0.00 -1.36 0.00 0.00 55.97 56.44 2dx1 s LYS 444 Cb 0.00 -1.93 -0.02 0.00 -1.68 0.00 0.00 37.83 34.20 2dx1 s LYS 444 CO 0.00 -1.23 -0.22 -1.54 -0.76 0.00 0.00 175.35 171.60 2dx1 s SER 445 N -1.74 2.57 0.05 2.83 1.04 -1.26 0.53 113.70 117.72 2dx1 s SER 445 Ca 0.76 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.83 2dx1 s SER 445 Cb -0.29 -0.32 -0.02 0.00 0.10 0.00 0.00 66.02 65.49 2dx1 s SER 445 CO 0.34 0.26 -0.12 0.00 0.98 0.00 0.00 173.24 174.71 2dx1 s GLN 446 N -0.47 0.74 -0.10 4.02 -2.07 0.04 -4.96 119.66 116.86 2dx1 s GLN 446 Ca 0.07 -0.80 -0.12 0.00 -1.82 0.00 0.00 55.36 52.69 2dx1 s GLN 446 Cb -0.09 -0.68 -0.05 0.00 -1.09 0.00 0.00 33.01 31.10 2dx1 s GLN 446 CO -0.01 0.15 0.29 1.14 -1.32 0.00 0.00 175.29 175.55 2dx1 s GLN 447 N -1.43 3.94 0.00 9.60 -2.07 -1.26 -1.19 119.66 127.24 2dx1 s GLN 447 Ca -0.03 0.13 0.00 0.00 -1.82 0.00 0.00 55.36 53.64 2dx1 s GLN 447 Cb -0.09 -3.30 0.00 0.00 -1.09 0.00 0.00 33.01 28.53 2dx1 s GLN 447 CO 0.01 0.52 0.00 0.54 -1.32 0.00 0.00 175.29 175.04 2dx1 n ARG 448 N 2.61 0.00 -3.57 9.60 5.12 0.64 -4.89 116.66 126.18 2dx1 n ARG 448 Ca -0.15 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.67 2dx1 n ARG 448 Cb 0.53 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.78 2dx1 n ARG 448 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2dx1 s PHE 450 N 2.67 -0.36 -0.24 -1.55 2.99 -1.21 -0.71 117.98 119.56 2dx1 s PHE 450 Ca 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 56.93 57.46 2dx1 s PHE 450 Cb 0.00 0.46 0.09 0.00 0.00 0.00 0.00 43.02 43.57 2dx1 s PHE 450 CO 0.00 -0.37 0.14 -0.06 -0.00 0.00 0.00 175.22 174.93 2dx1 s PHE 451 N -1.42 0.16 -0.30 0.36 0.40 0.11 -1.79 117.98 115.50 2dx1 s PHE 451 Ca -0.01 -0.51 -0.22 0.00 -0.60 0.00 0.00 56.93 55.59 2dx1 s PHE 451 Cb -0.01 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.78 2dx1 s PHE 451 CO 0.00 -0.70 0.70 -1.17 0.70 0.00 0.00 175.22 174.75 2dx1 s LEU 452 N 2.16 4.12 0.54 -0.37 2.96 -0.14 -1.21 118.68 126.73 2dx1 s LEU 452 Ca 0.06 0.55 0.05 0.00 -0.22 0.00 0.00 54.13 54.57 2dx1 s LEU 452 Cb -0.16 -2.93 0.03 0.00 0.50 0.00 0.00 46.19 43.63 2dx1 s LEU 452 CO -0.24 -0.53 0.34 -0.36 -1.32 0.00 0.00 176.35 174.24 2dx1 s PHE 453 N 2.75 1.69 0.12 5.38 0.40 -0.13 -0.05 117.98 128.15 2dx1 s PHE 453 Ca 0.28 -0.85 -0.31 0.00 -0.60 0.00 0.00 56.93 55.45 2dx1 s PHE 453 Cb -0.15 -1.87 -0.08 0.00 0.51 0.00 0.00 43.02 41.44 2dx1 s PHE 453 CO 0.12 -0.35 1.33 0.16 0.70 0.00 0.00 175.22 177.18 2dx1 s ASP 454 N -4.21 6.90 0.00 1.36 -4.77 -0.43 -3.15 116.67 112.37 2dx1 s ASP 454 Ca 0.30 2.28 0.00 0.00 -3.30 0.00 0.00 52.55 51.83 2dx1 s ASP 454 Cb -0.02 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2dx1 s ASP 454 CO 0.18 -0.58 0.00 1.41 0.70 0.00 0.00 175.17 176.88 2dx1 n HIS 455 N 3.62 0.00 -3.71 2.11 8.25 -1.26 -4.40 115.22 119.83 2dx1 n HIS 455 Ca 0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.42 2dx1 n HIS 455 Cb 0.43 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.46 2dx1 n HIS 455 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2dx1 s GLN 456 N -0.01 0.66 -0.25 -0.41 -2.07 -1.19 -3.94 119.66 112.45 2dx1 s GLN 456 Ca 0.00 0.23 -0.04 0.00 -1.82 0.00 0.00 55.36 53.73 2dx1 s GLN 456 Cb 0.00 0.31 0.01 0.00 -1.09 0.00 0.00 33.01 32.24 2dx1 s GLN 456 CO 0.00 -0.15 -0.01 -1.17 -1.32 0.00 0.00 175.29 172.64 2dx1 s LEU 457 N -0.62 3.30 0.13 2.60 2.96 -0.68 -0.96 118.68 125.42 2dx1 s LEU 457 Ca -0.07 -0.67 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 2dx1 s LEU 457 Cb -0.03 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2dx1 s LEU 457 CO 0.04 -0.11 0.28 -0.63 -1.32 0.00 0.00 176.35 174.60 2dx1 s ILE 458 N 1.43 5.32 -0.01 6.68 -1.09 -0.35 -0.60 121.20 132.58 2dx1 s ILE 458 Ca 0.03 -0.55 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 2dx1 s ILE 458 Cb -0.16 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 2dx1 s ILE 458 CO -0.02 -0.04 -0.02 -0.72 -1.23 0.00 0.00 174.94 172.91 2dx1 s TYR 459 N -1.70 0.30 0.18 3.97 -0.85 -1.04 0.10 117.35 118.31 2dx1 s TYR 459 Ca 0.35 -0.04 0.04 0.00 -0.52 0.00 0.00 57.07 56.90 2dx1 s TYR 459 Cb -0.12 -0.27 -0.05 0.00 0.38 0.00 0.00 41.96 41.91 2dx1 s TYR 459 CO 0.28 -0.05 -0.05 0.00 -1.52 0.00 0.00 175.55 174.21 2dx1 s LYS 461 N -3.81 3.35 0.14 0.00 2.20 -0.81 -4.57 119.74 116.23 2dx1 s LYS 461 Ca 0.22 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 2dx1 s LYS 461 Cb 0.04 -2.67 -0.07 0.00 -1.51 0.00 0.00 37.83 33.62 2dx1 s LYS 461 CO 0.04 0.12 1.22 -1.59 -0.36 0.00 0.00 175.35 174.78 2dx1 s LYS 462 N 0.58 4.45 -0.49 4.03 -2.85 -1.26 -1.81 119.74 122.38 2dx1 s LYS 462 Ca -0.08 1.86 -0.26 0.00 -1.00 0.00 0.00 55.97 56.49 2dx1 s LYS 462 Cb -0.16 -3.27 -0.05 0.00 -2.06 0.00 0.00 37.83 32.29 2dx1 s LYS 462 CO 0.03 -0.18 2.22 0.34 0.10 0.00 0.00 175.35 177.86 2dx1 s ASP 463 N 0.53 4.80 -0.16 0.03 3.68 0.16 -4.88 116.67 120.84 2dx1 s ASP 463 Ca 0.56 0.96 -0.35 0.00 2.13 0.00 0.00 52.55 55.85 2dx1 s ASP 463 Cb -0.32 -2.51 -0.12 0.00 -1.45 0.00 0.00 42.92 38.52 2dx1 s ASP 463 CO 0.33 -2.62 1.93 0.18 0.13 0.00 0.00 175.17 175.13 2dx1 n LEU 464 N 14.49 3.15 0.00 -1.34 4.77 -1.26 -0.28 117.00 136.53 2dx1 n LEU 464 Ca 0.31 0.86 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 2dx1 n LEU 464 Cb 0.53 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 2dx1 n LEU 464 CO 0.70 -0.22 0.00 0.18 -1.33 0.00 0.00 177.39 176.72 2dx1 n LEU 465 N 7.30 -0.28 0.00 2.23 4.77 -1.26 -4.96 117.00 124.80 2dx1 n LEU 465 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2dx1 n LEU 465 Cb 0.28 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2dx1 n LEU 465 CO 0.74 0.00 0.00 -1.14 -1.33 0.00 0.00 177.39 175.66 2dx1 n ARG 466 N -1.23 0.00 -0.12 3.23 0.00 0.61 -5.05 116.66 114.11 2dx1 n ARG 466 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 57.95 2dx1 n ARG 466 Cb 0.14 0.00 0.19 0.00 0.00 0.00 0.00 32.46 32.79 2dx1 n ARG 466 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2dx1 n ARG 467 N 0.00 -0.02 0.03 -0.14 1.85 -1.21 0.87 116.66 118.03 2dx1 n ARG 467 Ca 0.00 0.51 0.04 0.00 -1.00 0.00 0.00 57.85 57.40 2dx1 n ARG 467 Cb 0.00 -0.89 0.18 0.00 -1.05 0.00 0.00 32.46 30.69 2dx1 n ARG 467 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2dx1 n ASP 468 N -3.94 0.10 -4.49 2.89 10.43 -1.26 -4.59 116.55 115.70 2dx1 n ASP 468 Ca 0.13 0.54 -0.36 0.00 2.57 0.00 0.00 54.79 57.67 2dx1 n ASP 468 Cb 0.43 -0.56 -0.12 0.00 1.84 0.00 0.00 41.12 42.71 2dx1 n ASP 468 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2dx1 s VAL 469 N -3.08 4.38 -0.02 2.53 1.01 0.25 -5.04 120.40 120.44 2dx1 s VAL 469 Ca 0.02 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2dx1 s VAL 469 Cb 0.04 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2dx1 s VAL 469 CO 0.11 0.38 -0.21 -0.76 0.00 0.00 0.00 175.10 174.62 2dx1 s LEU 470 N 1.25 2.37 -0.16 3.92 1.43 -1.26 0.37 118.68 126.60 2dx1 s LEU 470 Ca 0.05 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2dx1 s LEU 470 Cb -0.15 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 2dx1 s LEU 470 CO 0.03 0.32 -0.15 -0.31 0.23 0.00 0.00 176.35 176.47 2dx1 s TYR 471 N -0.71 2.80 0.34 0.29 1.51 -0.75 -1.11 117.35 119.71 2dx1 s TYR 471 Ca 0.11 -1.07 -0.29 0.00 -1.01 0.00 0.00 57.07 54.82 2dx1 s TYR 471 Cb -0.10 -1.91 -0.12 0.00 -0.11 0.00 0.00 41.96 39.72 2dx1 s TYR 471 CO 0.01 -0.50 1.39 0.98 -1.11 0.00 0.00 175.55 176.32 2dx1 n TYR 472 N 4.15 2.52 0.00 2.71 9.36 -0.04 -1.92 117.16 133.94 2dx1 n TYR 472 Ca -0.19 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.51 2dx1 n TYR 472 Cb 0.52 -2.47 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 2dx1 n TYR 472 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2dx1 n LYS 473 N 0.85 3.21 -2.95 2.98 4.76 -0.91 -4.88 118.16 121.22 2dx1 n LYS 473 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2dx1 n LYS 473 Cb 0.36 -0.46 0.00 0.00 -1.84 0.00 0.00 35.03 33.10 2dx1 n LYS 473 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dx1 n GLY 474 N 0.75 -0.29 0.00 0.72 0.00 -1.18 -4.99 105.19 100.20 2dx1 n GLY 474 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2dx1 n GLY 474 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dx1 n ARG 475 N 0.00 -1.00 -4.07 1.61 1.85 -1.26 -2.51 116.66 111.28 2dx1 n ARG 475 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.78 2dx1 n ARG 475 Cb 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 2dx1 n ARG 475 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2dx1 s LEU 476 N 0.00 2.40 0.00 2.89 1.43 0.24 -4.98 118.68 120.66 2dx1 s LEU 476 Ca 0.00 -0.97 0.05 0.00 -1.03 0.00 0.00 54.13 52.18 2dx1 s LEU 476 Cb 0.00 0.27 0.05 0.00 0.03 0.00 0.00 46.19 46.54 2dx1 s LEU 476 CO 0.00 -0.61 0.41 -0.67 0.23 0.00 0.00 176.35 175.71 2dx1 n ASP 477 N 0.09 1.61 -1.64 2.29 -0.08 -1.26 -1.68 116.55 115.88 2dx1 n ASP 477 Ca -0.14 -2.04 0.00 0.00 -1.51 0.00 0.00 54.79 51.10 2dx1 n ASP 477 Cb 0.61 -0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.90 2dx1 n ASP 477 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2dx1 n ASP 479 N -2.32 -0.06 0.00 1.67 10.43 -1.25 -3.92 116.55 121.09 2dx1 n ASP 479 Ca 0.06 1.00 0.00 0.00 2.57 0.00 0.00 54.79 58.42 2dx1 n ASP 479 Cb 0.38 -1.52 0.00 0.00 1.84 0.00 0.00 41.12 41.82 2dx1 n ASP 479 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2dx1 n GLY 480 N 1.64 3.11 3.75 0.44 0.00 -1.26 -5.05 105.19 107.83 2dx1 n GLY 480 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2dx1 n GLY 480 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dx1 s LEU 481 N 0.00 4.60 0.12 0.99 1.43 -1.25 -4.45 118.68 120.12 2dx1 s LEU 481 Ca 0.00 2.02 0.08 0.00 -1.03 0.00 0.00 54.13 55.20 2dx1 s LEU 481 Cb 0.00 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2dx1 s LEU 481 CO 0.00 0.06 -0.20 -0.70 0.23 0.00 0.00 176.35 175.74 2dx1 s GLU 482 N -1.32 1.16 -0.11 1.70 2.56 -0.34 -4.87 118.70 117.48 2dx1 s GLU 482 Ca 0.43 -1.24 -0.01 0.00 0.00 0.00 0.00 54.97 54.15 2dx1 s GLU 482 Cb -0.27 -1.33 -0.03 0.00 2.00 0.00 0.00 34.13 34.50 2dx1 s GLU 482 CO 0.34 0.29 -0.07 0.08 -0.56 0.00 0.00 175.26 175.34 2dx1 s VAL 483 N -1.50 3.64 -0.42 3.70 1.01 -1.26 -0.46 120.40 125.11 2dx1 s VAL 483 Ca 0.09 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.68 2dx1 s VAL 483 Cb -0.08 -2.53 0.35 0.00 0.00 0.00 0.00 36.38 34.12 2dx1 s VAL 483 CO 0.05 0.55 1.07 0.52 0.00 0.00 0.00 175.10 177.29 2dx1 n VAL 484 N 2.87 0.04 -0.10 2.92 0.31 -1.14 -5.02 118.33 118.20 2dx1 n VAL 484 Ca -0.18 -2.28 0.00 0.00 -0.01 0.00 0.00 64.34 61.87 2dx1 n VAL 484 Cb 0.53 0.96 0.00 0.00 -0.91 0.00 0.00 33.84 34.42 2dx1 n VAL 484 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2dx1 n ILE 498 N 0.13 0.00 -4.12 2.52 2.08 -1.26 -2.86 119.36 115.85 2dx1 n ILE 498 Ca 0.09 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.26 2dx1 n ILE 498 Cb 0.73 -1.06 -0.11 0.00 -0.75 0.00 0.00 39.64 38.44 2dx1 n ILE 498 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2dx1 s LYS 499 N 3.30 0.68 0.27 0.38 1.02 -1.26 -0.88 119.74 123.25 2dx1 s LYS 499 Ca 0.00 -0.96 -0.14 0.00 0.02 0.00 0.00 55.97 54.90 2dx1 s LYS 499 Cb 0.00 -0.40 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 2dx1 s LYS 499 CO 0.00 0.06 0.55 0.54 -0.92 0.00 0.00 175.35 175.58 2dx1 s ASN 500 N -2.01 -0.02 0.10 2.83 2.20 0.10 -4.97 114.94 113.17 2dx1 s ASN 500 Ca -0.02 -0.94 -0.01 0.00 -0.94 0.00 0.00 52.86 50.95 2dx1 s ASN 500 Cb -0.06 0.64 -0.04 0.00 -2.00 0.00 0.00 41.25 39.79 2dx1 s ASN 500 CO -0.00 -1.24 0.01 0.00 -2.94 0.00 0.00 177.10 172.93 2dx1 s ALA 501 N -3.77 0.78 -0.12 3.54 0.00 -1.13 -0.69 121.76 120.37 2dx1 s ALA 501 Ca 0.20 -1.38 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 2dx1 s ALA 501 Cb -0.02 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 2dx1 s ALA 501 CO 0.10 -0.41 0.09 -0.06 0.00 0.00 0.00 175.76 175.47 2dx1 s PHE 502 N -3.94 3.42 -0.07 0.00 2.99 -0.11 -2.90 117.98 117.37 2dx1 s PHE 502 Ca 0.17 0.38 0.02 0.00 0.00 0.00 0.00 56.93 57.50 2dx1 s PHE 502 Cb 0.07 -1.91 0.01 0.00 0.00 0.00 0.00 43.02 41.20 2dx1 s PHE 502 CO -0.03 0.59 -0.13 0.50 -0.00 0.00 0.00 175.22 176.15 2dx1 s ARG 503 N -0.83 1.79 0.00 0.44 6.06 0.39 -2.04 118.95 124.76 2dx1 s ARG 503 Ca 0.13 -0.45 0.00 0.00 -2.50 0.00 0.00 55.73 52.91 2dx1 s ARG 503 Cb -0.12 -1.46 0.00 0.00 0.06 0.00 0.00 34.95 33.43 2dx1 s ARG 503 CO 0.03 0.04 0.00 -0.11 -2.50 0.00 0.00 175.30 172.76 2dx1 n LEU 504 N 3.77 0.00 0.00 -0.88 7.94 -1.26 -1.20 117.00 125.37 2dx1 n LEU 504 Ca -0.23 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.67 2dx1 n LEU 504 Cb 0.52 0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2dx1 n LEU 504 CO 0.26 -0.09 0.00 1.41 -1.11 0.00 0.00 177.39 177.85 2dx1 n HIS 505 N -1.28 0.00 -3.76 1.96 8.25 -1.26 -5.08 115.22 114.05 2dx1 n HIS 505 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2dx1 n HIS 505 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 2dx1 n HIS 505 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2dx1 s SER 512 N 0.00 -0.11 -0.02 0.41 0.01 -1.25 -5.26 113.70 107.48 2dx1 s SER 512 Ca 0.00 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 56.79 2dx1 s SER 512 Cb 0.00 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 2dx1 s SER 512 CO 0.00 -0.87 -0.14 -1.00 0.41 0.00 0.00 173.24 171.64 2dx1 s HIS 513 N -3.86 1.30 -0.14 2.43 3.76 -0.87 -4.89 115.29 113.03 2dx1 s HIS 513 Ca 0.07 -0.27 -0.04 0.00 -0.15 0.00 0.00 55.06 54.66 2dx1 s HIS 513 Cb 0.02 -0.85 -0.03 0.00 1.11 0.00 0.00 32.58 32.83 2dx1 s HIS 513 CO -0.08 -0.05 -0.00 -1.17 -0.85 0.00 0.00 174.74 172.59 2dx1 s LEU 514 N -0.22 3.49 0.08 0.89 2.96 -1.26 -0.93 118.68 123.68 2dx1 s LEU 514 Ca 0.03 0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 2dx1 s LEU 514 Cb -0.07 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 2dx1 s LEU 514 CO -0.00 0.24 0.16 -0.76 -1.32 0.00 0.00 176.35 174.67 2dx1 s LEU 515 N -0.04 1.57 -0.04 -0.68 1.43 0.14 -1.79 118.68 119.27 2dx1 s LEU 515 Ca 0.03 -0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 52.13 2dx1 s LEU 515 Cb -0.13 0.92 0.11 0.00 0.03 0.00 0.00 46.19 47.13 2dx1 s LEU 515 CO 0.02 -0.71 1.09 0.00 0.23 0.00 0.00 176.35 176.98 2dx1 n THR 517 N -0.29 0.00 0.12 0.00 -2.24 -0.06 -0.87 114.28 110.94 2dx1 n THR 517 Ca -0.05 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.74 2dx1 n THR 517 Cb 0.61 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 2dx1 n THR 517 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2dx1 n ARG 518 N 0.00 4.33 -3.91 -0.78 1.85 -1.26 -4.77 116.66 112.12 2dx1 n ARG 518 Ca 0.00 -0.01 -0.19 0.00 -1.00 0.00 0.00 57.85 56.66 2dx1 n ARG 518 Cb 0.00 -0.77 -0.17 0.00 -1.05 0.00 0.00 32.46 30.47 2dx1 n ARG 518 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2dx1 s LYS 519 N -1.57 0.39 0.48 2.89 1.02 -1.26 -5.00 119.74 116.68 2dx1 s LYS 519 Ca 0.01 0.08 0.37 0.00 0.02 0.00 0.00 55.97 56.45 2dx1 s LYS 519 Cb 0.02 -0.61 1.55 0.00 -0.52 0.00 0.00 37.83 38.27 2dx1 s LYS 519 CO 0.14 -0.17 1.60 -1.35 -0.92 0.00 0.00 175.35 174.65 2dx1 h PRO 520 N 7.53 0.03 -0.69 -1.68 0.11 -1.95 1.07 132.00 136.43 2dx1 h PRO 520 Ca -0.35 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 2dx1 h PRO 520 Cb 1.13 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2dx1 h PRO 520 CO 0.41 0.02 0.26 1.05 -0.21 0.00 0.00 178.00 179.53 2dx1 h GLU 521 N 0.03 1.04 -0.56 1.05 4.11 -2.00 -2.35 114.58 115.90 2dx1 h GLU 521 Ca 0.86 -0.20 -0.09 0.00 0.07 0.00 0.00 59.36 60.01 2dx1 h GLU 521 Cb 3.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 32.06 2dx1 h GLU 521 CO -0.30 0.87 -0.00 1.96 0.07 0.00 0.00 179.01 181.61 2dx1 h GLN 522 N 0.98 0.97 0.38 1.06 4.20 0.79 -2.81 115.11 120.68 2dx1 h GLN 522 Ca 0.23 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2dx1 h GLN 522 Cb 0.24 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2dx1 h GLN 522 CO -0.02 0.96 -0.18 -0.22 -0.67 0.00 0.00 178.83 178.70 2dx1 h LYS 523 N 0.89 -0.49 -0.75 1.46 3.64 -1.34 -2.35 116.57 117.62 2dx1 h LYS 523 Ca 0.16 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.79 2dx1 h LYS 523 Cb 0.53 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 2dx1 h LYS 523 CO 0.03 -0.20 0.58 1.96 -2.27 0.00 0.00 179.45 179.54 2dx1 h GLN 524 N -0.76 0.00 0.06 1.90 1.08 -1.44 0.26 115.11 116.21 2dx1 h GLN 524 Ca -0.05 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.91 2dx1 h GLN 524 Cb 0.52 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2dx1 h GLN 524 CO 0.09 0.00 -1.08 0.00 -0.95 0.00 0.00 178.83 176.89 2dx1 h ARG 525 N 0.00 0.28 -0.25 1.46 2.47 -1.34 -3.10 114.38 113.90 2dx1 h ARG 525 Ca 0.36 -0.38 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 2dx1 h ARG 525 Cb 1.51 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.95 2dx1 h ARG 525 CO -0.00 1.13 -0.05 -1.49 0.56 0.00 0.00 179.97 180.11 2dx1 h TRP 526 N 0.12 0.54 -0.97 3.04 4.06 -0.02 -2.08 115.95 120.65 2dx1 h TRP 526 Ca -0.09 -0.11 0.20 0.00 2.06 0.00 0.00 58.89 60.94 2dx1 h TRP 526 Cb 1.76 -0.13 -0.09 0.00 -1.00 0.00 0.00 29.16 29.70 2dx1 h TRP 526 CO 0.05 0.69 0.61 -0.07 -3.56 0.00 0.00 178.44 176.17 2dx1 h LEU 527 N 0.24 0.62 0.66 -4.49 3.38 -1.14 -0.50 115.31 114.07 2dx1 h LEU 527 Ca 0.07 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2dx1 h LEU 527 Cb 0.51 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.22 2dx1 h LEU 527 CO 0.02 0.23 -0.32 0.11 0.09 0.00 0.00 178.44 178.58 2dx1 h LYS 528 N 0.61 -0.85 -0.91 1.13 1.57 -1.39 -1.58 116.57 115.14 2dx1 h LYS 528 Ca 0.53 0.06 0.21 0.00 -1.87 0.00 0.00 60.65 59.58 2dx1 h LYS 528 Cb 1.02 0.19 -0.17 0.00 0.08 0.00 0.00 32.23 33.36 2dx1 h LYS 528 CO -0.28 -0.57 -0.13 0.00 -0.57 0.00 0.00 179.45 177.90 2dx1 n ALA 529 N -2.55 0.31 -0.19 3.86 0.00 -0.34 0.76 120.51 122.36 2dx1 n ALA 529 Ca -0.11 0.99 -0.09 0.00 0.00 0.00 0.00 53.44 54.23 2dx1 n ALA 529 Cb 0.35 -0.64 0.01 0.00 0.00 0.00 0.00 19.45 19.17 2dx1 n ALA 529 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2dx1 h PHE 530 N 0.00 0.97 -0.44 0.00 -1.00 -1.13 0.30 116.94 115.64 2dx1 h PHE 530 Ca 0.48 -0.14 -0.10 0.00 2.81 0.00 0.00 57.97 61.02 2dx1 h PHE 530 Cb 0.85 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 40.12 2dx1 h PHE 530 CO -0.61 0.87 -0.12 0.00 -1.61 0.00 0.00 178.31 176.84 2dx1 h ALA 531 N 0.98 0.95 -0.06 2.45 0.00 0.14 -1.74 119.26 121.97 2dx1 h ALA 531 Ca 0.16 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2dx1 h ALA 531 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2dx1 h ALA 531 CO 0.01 0.62 -0.53 -0.09 0.00 0.00 0.00 179.25 179.26 2dx1 h ARG 532 N 0.73 0.18 -0.68 0.00 2.43 -0.09 -2.08 114.38 114.87 2dx1 h ARG 532 Ca 0.12 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2dx1 h ARG 532 Cb 0.62 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2dx1 h ARG 532 CO 0.04 0.66 0.28 1.49 -1.51 0.00 0.00 179.97 180.94 2dx1 h GLU 533 N 0.14 1.00 0.00 0.20 4.57 0.23 -0.75 114.58 119.97 2dx1 h GLU 533 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2dx1 h GLU 533 Cb 0.98 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2dx1 h GLU 533 CO 0.08 0.82 0.00 0.00 -1.18 0.00 0.00 179.01 178.73 2dx1 h ARG 534 N 0.95 0.00 0.01 1.92 2.47 -1.12 -2.77 114.38 115.84 2dx1 h ARG 534 Ca 0.23 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.69 2dx1 h ARG 534 Cb 0.18 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 2dx1 h ARG 534 CO -0.02 0.00 -1.35 1.49 0.56 0.00 0.00 179.97 180.65 2dx1 h GLU 535 N 0.00 0.02 0.00 0.04 4.81 -0.78 -1.38 114.58 117.30 2dx1 h GLU 535 Ca 0.00 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 2dx1 h GLU 535 Cb 0.78 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2dx1 h GLU 535 CO 0.00 0.80 -0.29 0.37 -0.73 0.00 0.00 179.01 179.16 2dx1 h GLN 536 N 0.01 0.00 0.09 1.92 5.75 -1.13 -3.29 115.11 118.45 2dx1 h GLN 536 Ca -0.15 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.16 2dx1 h GLN 536 Cb 1.90 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.45 2dx1 h GLN 536 CO 0.11 0.29 -0.97 0.28 -2.65 0.00 0.00 178.83 175.90 2dx1 h VAL 537 N 0.00 1.30 0.00 2.39 2.07 -1.50 -3.52 116.25 116.99 2dx1 h VAL 537 Ca -0.00 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 2dx1 h VAL 537 Cb 1.16 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.86 2dx1 h VAL 537 CO 0.04 0.65 0.00 1.67 0.02 0.00 0.00 177.57 179.94