#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de4 n TYR 123 N 0.00 0.00 -0.31 -1.77 0.53 -1.26 -4.43 117.16 109.92 1de4 n TYR 123 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.80 1de4 n TYR 123 Cb 0.00 -0.42 -0.07 0.00 -1.03 0.00 0.00 39.34 37.82 1de4 n TYR 123 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 1de4 n TRP 124 N 0.47 -0.33 -0.27 -0.72 -0.00 -1.26 -0.86 117.44 114.47 1de4 n TRP 124 Ca 0.00 0.93 0.13 0.00 -0.00 0.00 0.00 57.50 58.56 1de4 n TRP 124 Cb 0.00 -0.55 0.39 0.00 -0.00 0.00 0.00 31.31 31.14 1de4 n TRP 124 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1de4 h ASP 125 N 0.00 0.64 -0.10 5.87 3.32 -1.99 0.56 116.42 124.72 1de4 h ASP 125 Ca 0.12 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1de4 h ASP 125 Cb 0.31 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1de4 h ASP 125 CO -0.70 0.31 -0.29 0.44 -1.72 0.00 0.00 179.24 177.27 1de4 h ASP 126 N 0.67 0.43 -0.24 6.45 3.32 -1.21 -2.45 116.42 123.38 1de4 h ASP 126 Ca 0.46 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1de4 h ASP 126 Cb 0.78 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1de4 h ASP 126 CO -0.21 0.95 0.16 -0.07 -1.72 0.00 0.00 179.24 178.35 1de4 h LEU 127 N -0.07 0.29 -0.63 1.55 -0.00 -0.45 0.28 115.31 116.27 1de4 h LEU 127 Ca -0.01 -0.02 0.13 0.00 -0.00 0.00 0.00 57.88 57.98 1de4 h LEU 127 Cb 0.91 -0.07 -0.11 0.00 -0.00 0.00 0.00 40.66 41.39 1de4 h LEU 127 CO 0.06 0.22 0.01 0.50 -0.00 0.00 0.00 178.44 179.24 1de4 h LYS 128 N 0.32 0.12 -0.10 1.13 3.64 0.09 0.43 116.57 122.20 1de4 h LYS 128 Ca 0.09 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1de4 h LYS 128 Cb -0.02 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1de4 h LYS 128 CO -0.02 0.08 -0.05 0.00 -2.27 0.00 0.00 179.45 177.19 1de4 h ARG 129 N 0.12 0.22 -0.26 1.90 3.08 -0.97 -0.80 114.38 117.68 1de4 h ARG 129 Ca 0.33 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.34 1de4 h ARG 129 Cb 0.53 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 1de4 h ARG 129 CO -0.53 0.57 -0.15 0.87 -1.07 0.00 0.00 179.97 179.66 1de4 h LYS 130 N -0.14 -0.12 -0.24 0.04 1.79 -0.30 0.15 116.57 117.74 1de4 h LYS 130 Ca 0.02 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.55 1de4 h LYS 130 Cb 0.51 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.14 1de4 h LYS 130 CO 0.02 -0.08 -0.03 1.25 -1.08 0.00 0.00 179.45 179.52 1de4 h LEU 131 N -0.13 -0.17 0.20 2.94 5.85 -0.90 -0.90 115.31 122.21 1de4 h LEU 131 Ca 0.14 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1de4 h LEU 131 Cb 0.34 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1de4 h LEU 131 CO -0.34 -0.05 -0.49 -1.28 -0.34 0.00 0.00 178.44 175.93 1de4 h SER 132 N 0.03 -1.44 -0.38 1.25 0.87 0.11 -0.30 113.55 113.69 1de4 h SER 132 Ca 0.12 0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.87 1de4 h SER 132 Cb 0.17 0.52 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 1de4 h SER 132 CO -0.23 -0.56 0.10 1.05 -0.53 0.00 0.00 176.83 176.67 1de4 h GLU 133 N -0.78 0.24 -0.72 2.24 4.11 -0.85 -0.97 114.58 117.86 1de4 h GLU 133 Ca -0.01 -0.01 0.16 0.00 0.07 0.00 0.00 59.36 59.56 1de4 h GLU 133 Cb 0.76 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.83 1de4 h GLU 133 CO -0.23 0.16 -0.06 0.87 0.07 0.00 0.00 179.01 179.82 1de4 h LYS 134 N 0.24 0.07 -0.14 1.06 1.79 -0.71 -0.98 116.57 117.90 1de4 h LYS 134 Ca 0.18 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1de4 h LYS 134 Cb 0.19 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1de4 h LYS 134 CO -0.21 0.04 0.09 -0.07 -1.08 0.00 0.00 179.45 178.22 1de4 h LEU 135 N 0.07 0.15 -1.99 2.94 3.38 0.21 -2.86 115.31 117.20 1de4 h LEU 135 Ca 0.37 -0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.56 1de4 h LEU 135 Cb 0.63 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1de4 h LEU 135 CO -0.66 0.11 0.56 0.44 0.09 0.00 0.00 178.44 178.98 1de4 h ASP 136 N 0.18 0.00 -0.67 -0.43 5.19 -0.16 0.19 116.42 120.72 1de4 h ASP 136 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1de4 h ASP 136 Cb -0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1de4 h ASP 136 CO -0.02 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.56 1de4 n SER 137 N -4.26 4.77 -4.75 6.45 3.41 -1.08 -4.94 113.62 113.23 1de4 n SER 137 Ca 0.15 -2.42 -0.35 0.00 -0.26 0.00 0.00 58.87 55.99 1de4 n SER 137 Cb 0.85 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 1de4 n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1de4 s THR 138 N -1.80 5.30 -0.52 6.66 2.01 0.66 -5.06 115.64 122.89 1de4 s THR 138 Ca 0.52 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.53 1de4 s THR 138 Cb 0.33 -3.39 0.13 0.00 0.01 0.00 0.00 72.50 69.58 1de4 s THR 138 CO 0.26 0.49 0.45 -0.62 -0.69 0.00 0.00 174.62 174.50 1de4 s ASP 139 N 0.03 6.02 0.02 3.53 -1.08 -1.26 -4.89 116.67 119.03 1de4 s ASP 139 Ca 0.09 -1.87 -0.18 0.00 -0.52 0.00 0.00 52.55 50.08 1de4 s ASP 139 Cb -0.11 -2.13 -0.30 0.00 -1.46 0.00 0.00 42.92 38.91 1de4 s ASP 139 CO -0.00 -0.79 1.03 -0.26 0.52 0.00 0.00 175.17 175.67 1de4 h PHE 140 N 8.69 0.84 -0.79 -5.34 -1.00 -1.96 -3.31 116.94 114.07 1de4 h PHE 140 Ca -0.25 -0.55 0.18 0.00 2.81 0.00 0.00 57.97 60.15 1de4 h PHE 140 Cb 1.09 -0.06 -0.14 0.00 3.61 0.00 0.00 35.95 40.45 1de4 h PHE 140 CO 0.70 1.41 -0.06 1.15 -1.61 0.00 0.00 178.31 179.90 1de4 h THR 141 N 0.04 0.26 -0.46 -1.55 2.02 -1.90 0.15 112.91 111.48 1de4 h THR 141 Ca -0.17 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.03 1de4 h THR 141 Cb 1.81 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 1de4 h THR 141 CO 0.21 0.01 0.21 0.28 0.37 0.00 0.00 175.52 176.59 1de4 h SER 142 N 0.06 0.27 -0.11 4.18 0.02 -1.99 -1.17 113.55 114.81 1de4 h SER 142 Ca 0.42 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.39 1de4 h SER 142 Cb 0.72 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1de4 h SER 142 CO -0.74 0.19 0.01 0.74 -1.14 0.00 0.00 176.83 175.89 1de4 h THR 143 N 0.41 1.24 -0.46 -2.27 2.02 -1.15 0.15 112.91 112.86 1de4 h THR 143 Ca 0.21 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.67 1de4 h THR 143 Cb 0.15 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1de4 h THR 143 CO -0.17 0.22 0.22 0.40 0.37 0.00 0.00 175.52 176.55 1de4 h ILE 144 N -0.06 0.94 -0.42 3.11 2.04 -0.97 0.37 117.51 122.52 1de4 h ILE 144 Ca 0.03 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1de4 h ILE 144 Cb 0.33 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1de4 h ILE 144 CO 0.00 0.08 -0.09 0.50 0.00 0.00 0.00 178.15 178.64 1de4 h LYS 145 N 0.43 0.74 0.00 2.37 3.64 -1.14 -2.05 116.57 120.57 1de4 h LYS 145 Ca 0.20 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1de4 h LYS 145 Cb 0.13 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1de4 h LYS 145 CO -0.16 0.81 -0.24 1.25 -2.27 0.00 0.00 179.45 178.85 1de4 h LEU 146 N 0.68 0.00 -0.18 5.20 7.12 0.24 -1.66 115.31 126.70 1de4 h LEU 146 Ca 0.12 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.13 1de4 h LEU 146 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 1de4 h LEU 146 CO 0.03 0.24 0.00 0.18 -0.13 0.00 0.00 178.44 178.76 1de4 n LEU 147 N -4.20 0.28 -0.28 2.25 4.77 0.03 -3.38 117.00 116.48 1de4 n LEU 147 Ca -0.02 -0.11 0.04 0.00 -0.03 0.00 0.00 56.01 55.89 1de4 n LEU 147 Cb 0.30 -0.01 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1de4 n LEU 147 CO 0.37 0.05 0.57 0.59 -1.33 0.00 0.00 177.39 177.64 1de4 n ASN 148 N -0.67 2.51 -4.82 -1.43 5.03 -0.63 -4.72 115.26 110.53 1de4 n ASN 148 Ca 0.18 -2.29 -0.33 0.00 0.87 0.00 0.00 54.58 53.01 1de4 n ASN 148 Cb 0.13 -0.19 -0.04 0.00 -1.02 0.00 0.00 39.78 38.65 1de4 n ASN 148 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1de4 s GLU 149 N -1.50 3.94 0.49 3.52 2.02 -1.22 -4.67 118.70 121.29 1de4 s GLU 149 Ca 0.16 1.16 0.07 0.00 0.02 0.00 0.00 54.97 56.38 1de4 s GLU 149 Cb 0.11 -2.13 0.40 0.00 0.10 0.00 0.00 34.13 32.62 1de4 s GLU 149 CO 0.06 -0.29 1.12 -0.91 0.02 0.00 0.00 175.26 175.26 1de4 h ASN 150 N 1.41 0.00 0.00 -0.19 2.35 -1.96 0.47 115.58 117.66 1de4 h ASN 150 Ca -0.48 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.22 1de4 h ASN 150 Cb 1.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 1de4 h ASN 150 CO 0.60 0.00 -0.10 -1.28 -1.65 0.00 0.00 177.43 175.00 1de4 h SER 151 N 0.00 0.21 0.00 5.81 0.87 -1.93 -3.23 113.55 115.28 1de4 h SER 151 Ca 0.00 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1de4 h SER 151 Cb 1.36 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 63.21 1de4 h SER 151 CO 0.00 0.35 -0.47 -1.22 -0.53 0.00 0.00 176.83 174.96 1de4 n TYR 152 N -4.30 0.00 0.00 2.24 4.02 0.16 -4.75 117.16 114.52 1de4 n TYR 152 Ca -0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 1de4 n TYR 152 Cb 0.24 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 1de4 n TYR 152 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1de4 n VAL 153 N -0.28 0.00 -3.09 -0.72 0.24 -0.79 -3.88 118.33 109.81 1de4 n VAL 153 Ca 0.05 0.46 -0.41 0.00 -2.04 0.00 0.00 64.34 62.40 1de4 n VAL 153 Cb 0.75 -1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 32.05 1de4 n VAL 153 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1de4 s PRO 154 N 0.00 4.03 -0.75 7.34 0.04 -1.26 -4.18 135.00 140.22 1de4 s PRO 154 Ca 0.00 0.49 0.03 0.00 0.04 0.00 0.00 61.00 61.56 1de4 s PRO 154 Cb 0.00 -3.68 0.25 0.00 0.04 0.00 0.00 34.50 31.11 1de4 s PRO 154 CO 0.00 -0.49 0.87 2.89 0.04 0.00 0.00 177.00 180.32 1de4 n ARG 155 N 5.81 2.86 -2.11 4.56 1.85 -1.22 -4.74 116.66 123.69 1de4 n ARG 155 Ca -0.00 -4.63 -0.41 0.00 -1.00 0.00 0.00 57.85 51.81 1de4 n ARG 155 Cb 0.49 -2.32 -0.02 0.00 -1.05 0.00 0.00 32.46 29.56 1de4 n ARG 155 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1de4 s GLU 156 N -2.39 4.35 0.11 2.89 2.12 -0.87 -0.32 118.70 124.59 1de4 s GLU 156 Ca 0.36 2.22 -0.36 0.00 0.36 0.00 0.00 54.97 57.56 1de4 s GLU 156 Cb 0.10 -3.08 -0.16 0.00 0.26 0.00 0.00 34.13 31.25 1de4 s GLU 156 CO -0.01 -0.21 1.30 0.00 -0.54 0.00 0.00 175.26 175.80 1de4 n ALA 157 N 0.95 -0.90 0.00 6.30 0.00 -1.26 -0.66 120.51 124.95 1de4 n ALA 157 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1de4 n ALA 157 Cb 0.42 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1de4 n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1de4 n GLY 158 N 2.41 1.72 3.87 0.00 0.00 -1.26 -4.97 105.19 106.95 1de4 n GLY 158 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1de4 n GLY 158 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1de4 s SER 159 N -3.01 5.26 0.10 1.61 1.04 0.17 -4.73 113.70 114.14 1de4 s SER 159 Ca 0.00 1.17 -0.22 0.00 0.48 0.00 0.00 55.95 57.39 1de4 s SER 159 Cb 0.00 -1.96 -0.11 0.00 0.10 0.00 0.00 66.02 64.05 1de4 s SER 159 CO 0.00 -1.47 1.74 1.56 0.98 0.00 0.00 173.24 176.05 1de4 h GLN 160 N -0.74 0.03 -0.70 4.02 1.08 -1.95 -0.57 115.11 116.28 1de4 h GLN 160 Ca -0.45 -0.00 0.15 0.00 -1.45 0.00 0.00 58.65 56.90 1de4 h GLN 160 Cb 1.26 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.64 1de4 h GLN 160 CO 0.63 0.02 0.48 0.87 -0.95 0.00 0.00 178.83 179.88 1de4 h LYS 161 N 0.03 0.30 0.54 1.46 1.57 -1.85 0.68 116.57 119.31 1de4 h LYS 161 Ca 0.03 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1de4 h LYS 161 Cb 0.04 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.28 1de4 h LYS 161 CO -0.05 0.20 -0.26 0.22 -0.57 0.00 0.00 179.45 178.99 1de4 h ASP 162 N 0.31 -0.61 -0.83 0.86 -0.00 -1.48 -1.65 116.42 113.02 1de4 h ASP 162 Ca 0.34 -0.05 0.14 0.00 -0.00 0.00 0.00 57.03 57.46 1de4 h ASP 162 Cb 0.89 0.16 -0.06 0.00 -0.00 0.00 0.00 39.33 40.32 1de4 h ASP 162 CO -0.09 -0.27 0.54 -0.08 -0.00 0.00 0.00 179.24 179.34 1de4 h GLU 163 N -0.98 0.58 0.01 0.28 4.81 0.43 -0.54 114.58 119.17 1de4 h GLU 163 Ca -0.07 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1de4 h GLU 163 Cb 0.63 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1de4 h GLU 163 CO 0.12 0.38 -0.01 -0.91 -0.73 0.00 0.00 179.01 177.87 1de4 h ASN 164 N 0.60 -0.02 0.16 1.04 2.35 0.49 -1.39 115.58 118.80 1de4 h ASN 164 Ca 0.41 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 1de4 h ASN 164 Cb 0.73 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.10 1de4 h ASN 164 CO -0.17 0.17 -0.12 0.25 -1.65 0.00 0.00 177.43 175.91 1de4 h LEU 165 N -0.20 0.00 -0.28 1.61 5.85 -0.32 -0.45 115.31 121.52 1de4 h LEU 165 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1de4 h LEU 165 Cb 0.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1de4 h LEU 165 CO 0.00 0.12 -0.08 0.00 -0.34 0.00 0.00 178.44 178.15 1de4 h ALA 166 N 1.88 0.39 -0.44 1.25 0.00 -0.73 -1.65 119.26 119.96 1de4 h ALA 166 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1de4 h ALA 166 Cb 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1de4 h ALA 166 CO 0.02 0.21 -0.12 -0.07 0.00 0.00 0.00 179.25 179.28 1de4 h LEU 167 N 0.30 0.80 -0.22 0.00 4.07 -0.59 0.84 115.31 120.51 1de4 h LEU 167 Ca 0.07 -0.25 0.01 0.00 0.08 0.00 0.00 57.88 57.79 1de4 h LEU 167 Cb 0.56 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 1de4 h LEU 167 CO 0.03 0.94 0.12 0.22 -1.08 0.00 0.00 178.44 178.67 1de4 h TYR 168 N 0.72 0.23 -0.39 1.13 3.20 -0.92 -1.09 116.97 119.86 1de4 h TYR 168 Ca 0.12 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1de4 h TYR 168 Cb 0.62 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1de4 h TYR 168 CO 0.03 0.14 0.04 0.28 -1.64 0.00 0.00 178.16 177.01 1de4 h VAL 169 N 0.26 1.25 -0.18 1.81 2.07 -1.06 -0.92 116.25 119.47 1de4 h VAL 169 Ca 0.09 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1de4 h VAL 169 Cb 0.00 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1de4 h VAL 169 CO -0.04 0.31 0.12 -0.08 0.02 0.00 0.00 177.57 177.90 1de4 h GLU 170 N 0.50 0.17 0.20 1.57 4.81 -0.62 -0.95 114.58 120.26 1de4 h GLU 170 Ca 0.12 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 59.02 1de4 h GLU 170 Cb 0.41 -0.04 0.04 0.00 0.63 0.00 0.00 28.75 29.79 1de4 h GLU 170 CO 0.01 0.11 -1.37 -0.97 -0.73 0.00 0.00 179.01 176.06 1de4 h ASN 171 N 0.17 0.86 -0.54 1.04 -0.73 -0.84 -2.95 115.58 112.60 1de4 h ASN 171 Ca 0.07 -0.88 0.01 0.00 1.87 0.00 0.00 56.30 57.37 1de4 h ASN 171 Cb 0.08 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.37 1de4 h ASN 171 CO -0.01 1.67 0.36 1.56 -0.37 0.00 0.00 177.43 180.63 1de4 h GLN 172 N 0.19 0.69 -0.44 6.67 1.08 -0.51 0.10 115.11 122.90 1de4 h GLN 172 Ca -0.23 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 56.89 1de4 h GLN 172 Cb 2.06 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 29.32 1de4 h GLN 172 CO 0.26 0.46 0.12 0.74 -0.95 0.00 0.00 178.83 179.46 1de4 h PHE 173 N 0.71 0.73 -0.40 2.96 0.05 -1.19 0.05 116.94 119.86 1de4 h PHE 173 Ca 0.20 -0.08 -0.01 0.00 3.82 0.00 0.00 57.97 61.89 1de4 h PHE 173 Cb -0.06 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 37.67 1de4 h PHE 173 CO -0.00 0.67 0.19 0.00 -0.18 0.00 0.00 178.31 178.99 1de4 h ARG 174 N 0.57 0.57 -0.75 1.51 3.08 -1.09 -2.42 114.38 115.86 1de4 h ARG 174 Ca 0.14 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.15 1de4 h ARG 174 Cb 0.30 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 1de4 h ARG 174 CO -0.00 0.50 0.46 0.93 -1.07 0.00 0.00 179.97 180.79 1de4 h GLU 175 N 0.50 0.83 0.00 0.04 5.08 -0.56 0.37 114.58 120.85 1de4 h GLU 175 Ca 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1de4 h GLU 175 Cb 0.12 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1de4 h GLU 175 CO -0.02 0.55 0.00 1.19 -1.00 0.00 0.00 179.01 179.74 1de4 n PHE 176 N -4.68 0.00 -3.20 4.33 0.99 -0.02 -4.89 117.46 109.99 1de4 n PHE 176 Ca 0.09 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.39 1de4 n PHE 176 Cb 0.13 -0.48 0.01 0.00 -1.00 0.00 0.00 39.48 38.14 1de4 n PHE 176 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1de4 n LYS 177 N -1.48 -1.87 -3.92 -1.08 5.02 0.13 -4.85 118.16 110.11 1de4 n LYS 177 Ca 0.02 1.59 -0.27 0.00 -2.02 0.00 0.00 58.31 57.63 1de4 n LYS 177 Cb 0.10 -4.37 -0.03 0.00 -0.02 0.00 0.00 35.03 30.70 1de4 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1de4 s LEU 178 N -3.33 4.34 0.28 -0.35 1.43 -1.22 -4.96 118.68 114.87 1de4 s LEU 178 Ca 0.17 0.22 0.12 0.00 -1.03 0.00 0.00 54.13 53.61 1de4 s LEU 178 Cb -0.03 -2.95 0.93 0.00 0.03 0.00 0.00 46.19 44.17 1de4 s LEU 178 CO 0.81 0.07 1.26 -1.20 0.23 0.00 0.00 176.35 177.53 1de4 n SER 179 N -0.34 0.16 -3.59 2.29 7.64 -0.58 -4.52 113.62 114.68 1de4 n SER 179 Ca -0.06 1.34 -0.12 0.00 1.01 0.00 0.00 58.87 61.04 1de4 n SER 179 Cb 0.53 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 1de4 n SER 179 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1de4 s LYS 180 N -5.39 0.66 -0.05 1.43 2.20 -1.13 -5.00 119.74 112.46 1de4 s LYS 180 Ca -0.08 0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 55.90 1de4 s LYS 180 Cb 0.26 0.32 0.03 0.00 -1.51 0.00 0.00 37.83 36.92 1de4 s LYS 180 CO 0.63 -0.16 0.00 0.54 -0.36 0.00 0.00 175.35 175.99 1de4 s VAL 181 N -0.58 0.29 0.30 4.02 0.11 -1.26 -0.80 120.40 122.49 1de4 s VAL 181 Ca -0.02 0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.20 1de4 s VAL 181 Cb -0.02 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1de4 s VAL 181 CO 0.01 0.22 0.22 -1.66 -3.33 0.00 0.00 175.10 170.55 1de4 s TRP 182 N 1.62 1.60 0.02 1.54 -2.14 -0.88 -5.00 118.94 115.69 1de4 s TRP 182 Ca -0.01 -1.54 -0.00 0.00 2.66 0.00 0.00 56.10 57.21 1de4 s TRP 182 Cb -0.13 -0.73 -0.02 0.00 -3.10 0.00 0.00 33.47 29.50 1de4 s TRP 182 CO -0.03 -0.73 -0.02 -0.98 -2.66 0.00 0.00 176.95 172.53 1de4 s ARG 183 N -3.68 0.30 0.04 3.25 1.70 -1.26 -0.06 118.95 119.24 1de4 s ARG 183 Ca 0.39 -0.56 0.04 0.00 -0.47 0.00 0.00 55.73 55.13 1de4 s ARG 183 Cb 0.04 0.11 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 1de4 s ARG 183 CO 0.22 -0.05 -0.07 -0.51 -1.08 0.00 0.00 175.30 173.81 1de4 s ASP 184 N -1.37 4.62 -0.13 -2.89 1.01 -0.02 -4.97 116.67 112.92 1de4 s ASP 184 Ca -0.15 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 52.91 1de4 s ASP 184 Cb -0.09 -1.04 0.02 0.00 1.01 0.00 0.00 42.92 42.82 1de4 s ASP 184 CO -0.01 0.25 -0.12 -1.58 0.21 0.00 0.00 175.17 173.92 1de4 s GLN 185 N -1.69 2.01 0.10 8.23 0.74 -1.26 -1.39 119.66 126.41 1de4 s GLN 185 Ca 0.19 -0.46 0.10 0.00 0.05 0.00 0.00 55.36 55.25 1de4 s GLN 185 Cb -0.11 -1.86 -0.04 0.00 1.10 0.00 0.00 33.01 32.10 1de4 s GLN 185 CO 0.10 -0.20 -0.26 -1.01 -0.55 0.00 0.00 175.29 173.38 1de4 s HIS 186 N 1.41 2.34 -0.37 1.67 3.76 -0.42 -4.93 115.29 118.75 1de4 s HIS 186 Ca 0.02 -0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 54.53 1de4 s HIS 186 Cb -0.13 -1.31 0.09 0.00 1.11 0.00 0.00 32.58 32.34 1de4 s HIS 186 CO -0.07 0.28 0.14 -0.06 -0.85 0.00 0.00 174.74 174.18 1de4 s PHE 187 N -0.99 3.49 0.31 1.40 0.40 -1.20 0.57 117.98 121.95 1de4 s PHE 187 Ca 0.14 -2.22 0.10 0.00 -0.60 0.00 0.00 56.93 54.35 1de4 s PHE 187 Cb -0.10 -2.87 -0.05 0.00 0.51 0.00 0.00 43.02 40.50 1de4 s PHE 187 CO 0.05 -0.91 -0.10 0.14 0.70 0.00 0.00 175.22 175.10 1de4 s VAL 188 N 1.18 2.57 -0.32 -0.44 -7.23 -0.64 -4.73 120.40 110.79 1de4 s VAL 188 Ca 0.04 -2.19 -0.10 0.00 -1.81 0.00 0.00 61.98 57.93 1de4 s VAL 188 Cb -0.22 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1de4 s VAL 188 CO -0.03 -0.30 0.16 -0.54 -0.31 0.00 0.00 175.10 174.09 1de4 s LYS 189 N -3.61 3.23 0.18 4.82 1.02 -1.26 -0.56 119.74 123.55 1de4 s LYS 189 Ca 0.32 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.53 1de4 s LYS 189 Cb -0.02 -3.60 0.02 0.00 -0.52 0.00 0.00 37.83 33.71 1de4 s LYS 189 CO 0.17 -0.48 0.15 0.44 -0.92 0.00 0.00 175.35 174.71 1de4 n ILE 190 N 4.98 0.00 -4.29 2.17 -5.35 -0.63 -4.59 119.36 111.65 1de4 n ILE 190 Ca -0.13 -0.70 -0.20 0.00 -0.27 0.00 0.00 62.75 61.45 1de4 n ILE 190 Cb 0.48 -0.40 -0.16 0.00 -1.74 0.00 0.00 39.64 37.82 1de4 n ILE 190 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1de4 s GLN 191 N -2.74 0.85 0.31 6.28 0.74 -1.26 -0.83 119.66 123.01 1de4 s GLN 191 Ca 0.11 -0.22 0.05 0.00 0.05 0.00 0.00 55.36 55.35 1de4 s GLN 191 Cb -0.01 -0.81 -0.06 0.00 1.10 0.00 0.00 33.01 33.23 1de4 s GLN 191 CO 0.07 0.05 0.01 0.08 -0.55 0.00 0.00 175.29 174.96 1de4 s VAL 192 N 0.38 1.38 0.16 1.34 1.01 0.06 -4.73 120.40 120.00 1de4 s VAL 192 Ca -0.05 -2.04 -0.28 0.00 0.00 0.00 0.00 61.98 59.60 1de4 s VAL 192 Cb -0.10 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 1de4 s VAL 192 CO 0.00 -0.12 0.89 -1.59 0.00 0.00 0.00 175.10 174.28 1de4 s LYS 193 N -3.83 4.71 1.08 2.72 -2.85 -1.26 -0.00 119.74 120.31 1de4 s LYS 193 Ca 0.34 1.36 -0.14 0.00 -1.00 0.00 0.00 55.97 56.52 1de4 s LYS 193 Cb 0.07 -3.31 0.23 0.00 -2.06 0.00 0.00 37.83 32.76 1de4 s LYS 193 CO 0.14 0.42 1.08 0.34 0.10 0.00 0.00 175.35 177.43 1de4 s ASP 194 N -0.70 1.88 0.53 0.03 2.15 -1.26 -4.80 116.67 114.51 1de4 s ASP 194 Ca 0.41 1.06 0.28 0.00 0.43 0.00 0.00 52.55 54.74 1de4 s ASP 194 Cb -0.24 -1.65 1.49 0.00 -0.30 0.00 0.00 42.92 42.23 1de4 s ASP 194 CO 0.29 -3.58 2.08 0.77 -0.17 0.00 0.00 175.17 174.57 1de4 h SER 195 N -2.20 0.00 -3.38 -0.34 4.64 -1.96 -3.41 113.55 106.90 1de4 h SER 195 Ca -0.53 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.23 1de4 h SER 195 Cb 1.33 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.37 1de4 h SER 195 CO 0.51 0.11 0.12 0.00 -0.87 0.00 0.00 176.83 176.70 1de4 s ALA 196 N -4.18 3.33 0.55 5.18 0.00 -1.26 -5.04 121.76 120.35 1de4 s ALA 196 Ca -0.03 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.93 1de4 s ALA 196 Cb 0.13 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 1de4 s ALA 196 CO 0.58 -0.07 1.19 -0.65 0.00 0.00 0.00 175.76 176.81 1de4 s GLN 197 N 0.60 3.24 0.37 0.00 -0.21 -1.26 -4.72 119.66 117.68 1de4 s GLN 197 Ca 0.39 1.79 -0.06 0.00 0.02 0.00 0.00 55.36 57.49 1de4 s GLN 197 Cb -0.19 -2.06 -0.05 0.00 1.00 0.00 0.00 33.01 31.71 1de4 s GLN 197 CO 0.20 -0.98 0.66 -0.80 -2.12 0.00 0.00 175.29 172.25 1de4 s ASN 198 N -1.55 6.42 0.07 5.90 0.02 -1.26 -4.79 114.94 119.75 1de4 s ASN 198 Ca 0.73 0.86 -0.22 0.00 -1.02 0.00 0.00 52.86 53.21 1de4 s ASN 198 Cb -0.29 -2.21 0.05 0.00 0.02 0.00 0.00 41.25 38.83 1de4 s ASN 198 CO 0.33 -0.34 0.52 -0.94 0.02 0.00 0.00 177.10 176.69 1de4 s SER 199 N -3.43 -0.44 -0.19 -1.22 1.04 0.69 -4.03 113.70 106.12 1de4 s SER 199 Ca 0.46 0.11 0.01 0.00 0.48 0.00 0.00 55.95 57.01 1de4 s SER 199 Cb -0.10 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.56 1de4 s SER 199 CO 0.34 -0.77 -0.13 -0.69 0.98 0.00 0.00 173.24 172.97 1de4 s VAL 200 N -2.75 1.73 0.00 5.02 1.01 -0.49 -0.61 120.40 124.32 1de4 s VAL 200 Ca -0.04 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1de4 s VAL 200 Cb -0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1de4 s VAL 200 CO -0.04 0.30 -0.14 -0.63 0.00 0.00 0.00 175.10 174.59 1de4 s ILE 201 N 1.38 1.13 -0.09 2.22 1.01 -0.78 -0.47 121.20 125.60 1de4 s ILE 201 Ca 0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 1de4 s ILE 201 Cb -0.15 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1de4 s ILE 201 CO -0.09 0.23 0.59 -0.63 0.00 0.00 0.00 174.94 175.04 1de4 s ILE 202 N -0.48 5.11 0.21 2.92 1.01 -1.26 0.33 121.20 129.04 1de4 s ILE 202 Ca 0.05 1.20 0.10 0.00 0.00 0.00 0.00 60.65 62.00 1de4 s ILE 202 Cb -0.06 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1de4 s ILE 202 CO -0.00 0.30 -0.20 -0.69 0.00 0.00 0.00 174.94 174.34 1de4 s VAL 203 N 0.66 2.18 0.00 2.92 1.01 0.17 -2.76 120.40 124.59 1de4 s VAL 203 Ca 0.32 -2.13 -0.09 0.00 0.00 0.00 0.00 61.98 60.08 1de4 s VAL 203 Cb -0.16 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1de4 s VAL 203 CO 0.14 -0.30 0.30 -0.62 0.00 0.00 0.00 175.10 174.62 1de4 s ASP 204 N -2.98 6.57 0.08 3.32 2.15 -0.73 -2.50 116.67 122.57 1de4 s ASP 204 Ca 0.22 0.67 0.00 0.00 0.43 0.00 0.00 52.55 53.87 1de4 s ASP 204 Cb -0.06 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1de4 s ASP 204 CO 0.10 0.28 0.21 0.29 -0.17 0.00 0.00 175.17 175.88 1de4 n LYS 205 N 1.34 0.00 0.00 4.34 5.02 -1.26 0.17 118.16 127.78 1de4 n LYS 205 Ca -0.12 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.35 1de4 n LYS 205 Cb 0.53 -0.68 0.01 0.00 -0.02 0.00 0.00 35.03 34.87 1de4 n LYS 205 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1de4 n ASN 206 N -0.63 1.66 0.00 4.39 3.02 -1.26 -4.93 115.26 117.51 1de4 n ASN 206 Ca 0.00 -1.33 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 1de4 n ASN 206 Cb 0.21 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1de4 n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1de4 n GLY 207 N 0.99 0.64 3.78 7.41 0.00 0.46 -5.05 105.19 113.42 1de4 n GLY 207 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1de4 n GLY 207 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1de4 s ARG 208 N -0.99 4.10 0.57 1.61 1.81 -1.06 -4.74 118.95 120.25 1de4 s ARG 208 Ca 0.00 2.57 -0.20 0.00 -1.72 0.00 0.00 55.73 56.38 1de4 s ARG 208 Cb 0.00 -2.96 -0.04 0.00 -0.45 0.00 0.00 34.95 31.49 1de4 s ARG 208 CO 0.00 -0.54 1.24 -1.17 -0.68 0.00 0.00 175.30 174.16 1de4 s LEU 209 N -2.10 3.76 0.00 2.53 2.96 -1.26 -1.78 118.68 122.78 1de4 s LEU 209 Ca 0.53 2.48 0.00 0.00 -0.22 0.00 0.00 54.13 56.92 1de4 s LEU 209 Cb -0.46 -4.47 0.00 0.00 0.50 0.00 0.00 46.19 41.76 1de4 s LEU 209 CO 0.63 -1.51 0.00 0.52 -1.32 0.00 0.00 176.35 174.67 1de4 n VAL 210 N -1.31 0.00 0.00 1.68 0.31 -1.13 -4.75 118.33 113.13 1de4 n VAL 210 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1de4 n VAL 210 Cb 0.48 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 1de4 n VAL 210 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1de4 n TYR 211 N -1.71 0.00 -2.61 3.52 9.36 -1.11 -5.00 117.16 119.61 1de4 n TYR 211 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 1de4 n TYR 211 Cb 0.00 0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.97 1de4 n TYR 211 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1de4 n LEU 212 N -2.45 -7.35 -0.06 2.98 7.94 -1.26 -4.88 117.00 111.92 1de4 n LEU 212 Ca 0.00 1.04 -0.16 0.00 -1.11 0.00 0.00 56.01 55.78 1de4 n LEU 212 Cb 0.16 -3.11 -0.06 0.00 0.53 0.00 0.00 43.42 40.94 1de4 n LEU 212 CO 0.00 -2.65 0.37 0.58 -1.11 0.00 0.00 177.39 174.58 1de4 h VAL 213 N 2.44 1.28 -1.17 1.96 2.07 -1.12 -3.48 116.25 118.23 1de4 h VAL 213 Ca 0.00 -1.82 0.20 0.00 0.82 0.00 0.00 66.70 65.90 1de4 h VAL 213 Cb 0.26 1.79 -0.27 0.00 -1.52 0.00 0.00 31.29 31.55 1de4 h VAL 213 CO 0.11 0.59 0.86 -0.70 0.02 0.00 0.00 177.57 178.45 1de4 s GLU 214 N -3.96 0.17 -0.82 1.57 2.12 -0.99 -4.81 118.70 111.98 1de4 s GLU 214 Ca -0.11 0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.29 1de4 s GLU 214 Cb 0.09 0.08 0.20 0.00 0.26 0.00 0.00 34.13 34.77 1de4 s GLU 214 CO 0.89 -0.05 0.68 -0.80 -0.54 0.00 0.00 175.26 175.44 1de4 s ASN 215 N -0.88 5.61 0.15 -1.70 0.02 -1.26 -1.39 114.94 115.48 1de4 s ASN 215 Ca 0.06 -3.72 -0.33 0.00 -1.02 0.00 0.00 52.86 47.86 1de4 s ASN 215 Cb -0.01 -1.82 -0.17 0.00 0.02 0.00 0.00 41.25 39.26 1de4 s ASN 215 CO -0.07 -0.16 0.95 -2.65 0.02 0.00 0.00 177.10 175.19 1de4 n PRO 216 N 2.28 0.61 0.10 -0.60 -0.02 -1.26 -4.93 135.00 131.17 1de4 n PRO 216 Ca 0.20 0.21 -0.15 0.00 -2.02 0.00 0.00 63.50 61.75 1de4 n PRO 216 Cb 0.36 -1.56 -0.13 0.00 -0.02 0.00 0.00 33.50 32.15 1de4 n PRO 216 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1de4 h GLY 217 N 2.51 0.30 -0.57 -1.23 0.00 -1.94 -3.45 103.07 98.69 1de4 h GLY 217 Ca -0.40 -0.74 -0.22 0.00 0.00 0.00 0.00 47.33 45.97 1de4 h GLY 217 CO 0.65 0.65 0.11 0.61 0.00 0.00 0.00 176.54 178.55 1de4 n GLY 218 N 1.48 -0.03 3.75 4.60 0.00 -1.26 -4.99 105.19 108.74 1de4 n GLY 218 Ca -0.08 -1.88 -0.03 0.00 0.00 0.00 0.00 46.02 44.03 1de4 n GLY 218 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1de4 s TYR 219 N -1.76 -0.11 -0.25 1.61 -0.85 -1.17 -4.72 117.35 110.11 1de4 s TYR 219 Ca 0.34 -0.18 0.01 0.00 -0.52 0.00 0.00 57.07 56.72 1de4 s TYR 219 Cb -0.02 0.63 0.05 0.00 0.38 0.00 0.00 41.96 43.00 1de4 s TYR 219 CO 0.23 -0.77 -0.10 0.08 -1.52 0.00 0.00 175.55 173.46 1de4 s VAL 220 N -3.12 2.37 0.33 -3.49 1.01 -1.26 -2.77 120.40 113.47 1de4 s VAL 220 Ca 0.13 -1.37 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 1de4 s VAL 220 Cb -0.01 -2.29 -0.11 0.00 0.00 0.00 0.00 36.38 33.98 1de4 s VAL 220 CO 0.02 0.11 1.42 0.00 0.00 0.00 0.00 175.10 176.65 1de4 s ALA 221 N 1.19 3.57 -0.23 5.51 0.00 0.65 -2.68 121.76 129.78 1de4 s ALA 221 Ca -0.04 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1de4 s ALA 221 Cb -0.18 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1de4 s ALA 221 CO -0.06 -0.85 0.00 0.66 0.00 0.00 0.00 175.76 175.52 1de4 n TYR 222 N 1.09 0.00 -1.60 0.00 4.02 -1.26 -0.60 117.16 118.80 1de4 n TYR 222 Ca 0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.61 1de4 n TYR 222 Cb 0.40 -0.76 0.06 0.00 -0.02 0.00 0.00 39.34 39.02 1de4 n TYR 222 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1de4 s SER 223 N -2.71 5.23 0.22 7.72 0.15 -1.09 -4.37 113.70 118.85 1de4 s SER 223 Ca 0.00 1.51 -0.28 0.00 0.70 0.00 0.00 55.95 57.87 1de4 s SER 223 Cb 0.00 -2.36 -0.09 0.00 -1.71 0.00 0.00 66.02 61.86 1de4 s SER 223 CO 0.00 -1.52 0.89 -0.75 1.20 0.00 0.00 173.24 173.06 1de4 s LYS 224 N -5.09 4.77 -0.34 5.44 2.20 -1.01 -4.93 119.74 120.78 1de4 s LYS 224 Ca 0.58 1.39 -0.28 0.00 -0.36 0.00 0.00 55.97 57.30 1de4 s LYS 224 Cb -0.14 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1de4 s LYS 224 CO 0.55 0.53 1.05 0.00 -0.36 0.00 0.00 175.35 177.12 1de4 s ALA 225 N -1.18 3.46 0.06 3.13 0.00 -1.26 -3.96 121.76 122.00 1de4 s ALA 225 Ca 0.40 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.93 1de4 s ALA 225 Cb -0.25 -3.66 0.10 0.00 0.00 0.00 0.00 23.12 19.30 1de4 s ALA 225 CO 0.30 -1.56 1.17 0.00 0.00 0.00 0.00 175.76 175.68 1de4 s ALA 226 N 3.68 -2.04 -0.06 0.00 0.00 -0.42 -5.00 121.76 117.91 1de4 s ALA 226 Ca 0.44 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1de4 s ALA 226 Cb -0.12 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.65 1de4 s ALA 226 CO 0.17 -1.08 0.02 -0.08 0.00 0.00 0.00 175.76 174.80 1de4 s THR 227 N -2.43 0.21 0.22 0.00 -1.32 -1.26 -0.94 115.64 110.11 1de4 s THR 227 Ca 0.19 0.23 0.05 0.00 -1.21 0.00 0.00 61.69 60.95 1de4 s THR 227 Cb 0.01 -0.40 -0.05 0.00 -1.51 0.00 0.00 72.50 70.55 1de4 s THR 227 CO -0.00 0.23 -0.05 0.68 -2.21 0.00 0.00 174.62 173.27 1de4 s VAL 228 N 2.04 1.27 -0.12 5.08 -7.23 0.13 -4.97 120.40 116.60 1de4 s VAL 228 Ca 0.05 -2.08 -0.17 0.00 -1.81 0.00 0.00 61.98 57.97 1de4 s VAL 228 Cb -0.12 -2.23 0.04 0.00 0.56 0.00 0.00 36.38 34.63 1de4 s VAL 228 CO -0.04 -0.44 0.44 0.28 -0.31 0.00 0.00 175.10 175.02 1de4 s THR 229 N -3.26 0.01 -1.23 5.32 -1.32 -1.26 1.00 115.64 114.90 1de4 s THR 229 Ca 0.25 -0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 1de4 s THR 229 Cb 0.04 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.37 1de4 s THR 229 CO 0.07 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1de4 n GLY 230 N 2.26 -0.90 3.78 6.08 0.00 0.15 -4.97 105.19 111.60 1de4 n GLY 230 Ca -0.16 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 1de4 n GLY 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1de4 s LYS 231 N -0.49 4.17 -0.49 1.61 -2.85 -1.26 -1.38 119.74 119.04 1de4 s LYS 231 Ca 0.00 1.50 -0.13 0.00 -1.00 0.00 0.00 55.97 56.34 1de4 s LYS 231 Cb 0.00 -2.53 0.11 0.00 -2.06 0.00 0.00 37.83 33.34 1de4 s LYS 231 CO 0.00 -0.14 0.40 -1.17 0.10 0.00 0.00 175.35 174.55 1de4 s LEU 232 N -2.65 5.78 0.09 2.77 2.96 -1.26 -1.05 118.68 125.32 1de4 s LEU 232 Ca 0.58 -1.66 -0.08 0.00 -0.22 0.00 0.00 54.13 52.74 1de4 s LEU 232 Cb -0.22 -2.12 -0.06 0.00 0.50 0.00 0.00 46.19 44.29 1de4 s LEU 232 CO 0.27 -0.72 0.39 -0.69 -1.32 0.00 0.00 176.35 174.28 1de4 s VAL 233 N 1.53 5.12 -0.35 1.68 1.01 -0.16 -2.81 120.40 126.43 1de4 s VAL 233 Ca 0.04 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 1de4 s VAL 233 Cb -0.27 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1de4 s VAL 233 CO 0.03 0.22 0.21 -2.28 0.00 0.00 0.00 175.10 173.28 1de4 s HIS 234 N -1.47 3.22 0.65 5.22 2.46 -1.26 -1.19 115.29 122.93 1de4 s HIS 234 Ca 0.35 -0.64 0.05 0.00 0.47 0.00 0.00 55.06 55.29 1de4 s HIS 234 Cb -0.13 -2.44 0.12 0.00 -0.13 0.00 0.00 32.58 30.00 1de4 s HIS 234 CO 0.19 -0.52 0.90 0.00 -2.47 0.00 0.00 174.74 172.85 1de4 n ALA 235 N 5.03 0.73 -4.00 1.58 0.00 -0.94 -4.87 120.51 118.03 1de4 n ALA 235 Ca -0.13 -2.04 -0.30 0.00 0.00 0.00 0.00 53.44 50.98 1de4 n ALA 235 Cb 0.48 0.45 -0.16 0.00 0.00 0.00 0.00 19.45 20.22 1de4 n ALA 235 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1de4 s ASN 236 N -4.84 3.10 0.00 0.00 3.04 -1.26 -4.58 114.94 110.40 1de4 s ASN 236 Ca 0.64 -0.72 0.00 0.00 0.04 0.00 0.00 52.86 52.81 1de4 s ASN 236 Cb -0.04 -1.21 0.00 0.00 -1.54 0.00 0.00 41.25 38.46 1de4 s ASN 236 CO 0.41 -0.11 0.00 0.49 -3.04 0.00 0.00 177.10 174.85 1de4 n PHE 237 N 4.72 0.00 -0.97 0.43 0.99 -1.26 -2.78 117.46 118.59 1de4 n PHE 237 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 1de4 n PHE 237 Cb 0.48 -0.47 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 1de4 n PHE 237 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1de4 n GLY 238 N -1.23 0.50 3.62 1.37 0.00 -1.26 -4.76 105.19 103.43 1de4 n GLY 238 Ca 0.00 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1de4 n GLY 238 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1de4 n THR 239 N -2.97 3.36 -0.12 2.61 -1.04 -1.12 -4.63 114.28 110.38 1de4 n THR 239 Ca 0.00 -0.50 0.10 0.00 -2.04 0.00 0.00 64.05 61.61 1de4 n THR 239 Cb 0.00 -1.17 0.46 0.00 -1.82 0.00 0.00 70.33 67.79 1de4 n THR 239 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1de4 h LYS 240 N 0.78 0.50 -0.10 -2.82 3.64 -1.94 -1.11 116.57 115.52 1de4 h LYS 240 Ca -0.48 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 58.72 1de4 h LYS 240 Cb 1.35 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1de4 h LYS 240 CO 0.52 0.33 -0.55 -0.22 -2.27 0.00 0.00 179.45 177.27 1de4 h LYS 241 N 0.51 0.55 -0.91 1.90 3.64 -1.97 -2.67 116.57 117.63 1de4 h LYS 241 Ca 0.29 -0.46 0.12 0.00 -1.27 0.00 0.00 60.65 59.34 1de4 h LYS 241 Cb 0.47 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.30 1de4 h LYS 241 CO -0.09 1.08 0.53 -0.44 -2.27 0.00 0.00 179.45 178.27 1de4 h ASP 242 N 0.16 0.75 -0.29 4.20 5.19 -1.52 0.92 116.42 125.83 1de4 h ASP 242 Ca -0.04 0.06 -0.12 0.00 -0.62 0.00 0.00 57.03 56.31 1de4 h ASP 242 Cb 1.19 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 1de4 h ASP 242 CO 0.11 0.39 -0.24 -0.26 -3.12 0.00 0.00 179.24 176.12 1de4 h PHE 243 N 0.83 0.88 0.03 4.55 -1.00 -1.40 -2.30 116.94 118.53 1de4 h PHE 243 Ca 0.46 -0.20 0.01 0.00 2.81 0.00 0.00 57.97 61.04 1de4 h PHE 243 Cb 0.50 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 1de4 h PHE 243 CO -0.04 0.93 -0.07 1.49 -1.61 0.00 0.00 178.31 179.01 1de4 h GLU 244 N 0.67 -0.14 -0.08 1.51 4.81 -0.56 -2.45 114.58 118.34 1de4 h GLU 244 Ca 0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1de4 h GLU 244 Cb 0.75 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1de4 h GLU 244 CO 0.06 -0.09 0.00 -0.25 -0.73 0.00 0.00 179.01 178.00 1de4 n ASP 245 N -5.19 0.55 -4.80 1.04 8.00 0.06 -4.89 116.55 111.34 1de4 n ASP 245 Ca -0.06 -1.78 -0.33 0.00 0.71 0.00 0.00 54.79 53.34 1de4 n ASP 245 Cb 0.12 -0.05 0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1de4 n ASP 245 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1de4 s LEU 246 N -1.26 3.41 -0.23 0.64 1.43 -0.88 -4.99 118.68 116.81 1de4 s LEU 246 Ca 0.17 1.84 -0.17 0.00 -1.03 0.00 0.00 54.13 54.94 1de4 s LEU 246 Cb 0.09 -4.53 -0.14 0.00 0.03 0.00 0.00 46.19 41.64 1de4 s LEU 246 CO 0.13 -1.35 -0.10 -1.22 0.23 0.00 0.00 176.35 174.04 1de4 n TYR 247 N -2.31 0.51 -2.44 0.29 4.02 -1.26 -4.90 117.16 111.08 1de4 n TYR 247 Ca 0.09 0.22 -0.42 0.00 -0.01 0.00 0.00 57.90 57.78 1de4 n TYR 247 Cb 0.53 -0.98 -0.03 0.00 -0.02 0.00 0.00 39.34 38.84 1de4 n TYR 247 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1de4 s THR 248 N -2.46 4.07 0.44 -0.72 2.01 -1.26 -4.99 115.64 112.73 1de4 s THR 248 Ca -0.32 1.49 -0.24 0.00 0.31 0.00 0.00 61.69 62.93 1de4 s THR 248 Cb 0.09 -3.96 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 1de4 s THR 248 CO 0.50 0.12 1.22 -2.16 -0.69 0.00 0.00 174.62 173.61 1de4 s PRO 249 N 1.02 3.81 0.06 4.92 0.04 -1.26 -4.92 135.00 138.68 1de4 s PRO 249 Ca 0.58 1.94 0.18 0.00 0.04 0.00 0.00 61.00 63.74 1de4 s PRO 249 Cb -0.29 -2.55 -0.13 0.00 0.04 0.00 0.00 34.50 31.57 1de4 s PRO 249 CO 0.29 -0.55 0.81 0.28 0.04 0.00 0.00 177.00 177.87 1de4 n VAL 250 N -0.25 1.09 -1.23 -0.36 0.31 -1.26 -4.91 118.33 111.72 1de4 n VAL 250 Ca 0.06 -0.67 -0.48 0.00 -0.01 0.00 0.00 64.34 63.23 1de4 n VAL 250 Cb 0.46 -0.66 -0.07 0.00 -0.91 0.00 0.00 33.84 32.67 1de4 n VAL 250 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1de4 n ASN 251 N -2.84 0.10 0.00 4.52 5.15 -1.16 -1.08 115.26 119.95 1de4 n ASN 251 Ca -0.09 0.94 0.00 0.00 -0.60 0.00 0.00 54.58 54.83 1de4 n ASN 251 Cb 0.81 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1de4 n ASN 251 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1de4 n GLY 252 N 1.43 0.40 3.51 8.20 0.00 -0.70 -4.91 105.19 113.12 1de4 n GLY 252 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1de4 n GLY 252 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1de4 s SER 253 N -2.32 2.77 0.22 1.61 1.04 -0.24 -4.76 113.70 112.02 1de4 s SER 253 Ca 0.00 -1.45 -0.26 0.00 0.48 0.00 0.00 55.95 54.72 1de4 s SER 253 Cb 0.00 0.04 -0.09 0.00 0.10 0.00 0.00 66.02 66.07 1de4 s SER 253 CO 0.00 -0.67 0.83 -0.63 0.98 0.00 0.00 173.24 173.76 1de4 s ILE 254 N -3.18 4.30 0.04 -1.02 1.01 -0.21 -0.39 121.20 121.74 1de4 s ILE 254 Ca 0.32 1.75 0.05 0.00 0.00 0.00 0.00 60.65 62.77 1de4 s ILE 254 Cb 0.07 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1de4 s ILE 254 CO 0.15 0.40 -0.12 -0.69 0.00 0.00 0.00 174.94 174.68 1de4 s VAL 255 N -1.29 3.27 -0.07 2.92 1.01 -1.05 -0.98 120.40 124.20 1de4 s VAL 255 Ca 0.41 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.42 1de4 s VAL 255 Cb -0.22 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1de4 s VAL 255 CO 0.26 0.32 -0.24 -0.51 0.00 0.00 0.00 175.10 174.93 1de4 s ILE 256 N -1.01 2.02 0.11 2.22 2.07 -0.33 -0.21 121.20 126.07 1de4 s ILE 256 Ca 0.17 -1.03 -0.01 0.00 -1.41 0.00 0.00 60.65 58.37 1de4 s ILE 256 Cb -0.11 -1.72 -0.04 0.00 0.13 0.00 0.00 42.46 40.72 1de4 s ILE 256 CO 0.08 0.56 0.04 0.68 -1.91 0.00 0.00 174.94 174.39 1de4 s VAL 257 N 0.02 0.13 0.17 4.00 -7.23 0.31 -2.22 120.40 115.58 1de4 s VAL 257 Ca -0.09 -1.87 -0.14 0.00 -1.81 0.00 0.00 61.98 58.08 1de4 s VAL 257 Cb -0.15 -1.91 -0.07 0.00 0.56 0.00 0.00 36.38 34.81 1de4 s VAL 257 CO 0.05 -0.59 0.57 -0.13 -0.31 0.00 0.00 175.10 174.69 1de4 s ARG 258 N -4.01 3.97 0.42 4.82 0.52 -1.26 -1.58 118.95 121.82 1de4 s ARG 258 Ca 0.20 0.48 -0.24 0.00 -0.52 0.00 0.00 55.73 55.65 1de4 s ARG 258 Cb 0.07 -2.86 -0.08 0.00 0.52 0.00 0.00 34.95 32.61 1de4 s ARG 258 CO -0.01 0.43 1.14 0.00 0.02 0.00 0.00 175.30 176.88 1de4 s ALA 259 N -1.55 3.07 0.00 2.13 0.00 -0.32 -4.18 121.76 120.92 1de4 s ALA 259 Ca 0.40 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1de4 s ALA 259 Cb -0.14 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1de4 s ALA 259 CO 0.20 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1de4 n GLY 260 N 0.50 2.18 4.98 0.00 0.00 -1.26 -4.94 105.19 106.64 1de4 n GLY 260 Ca 0.06 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1de4 n GLY 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1de4 n LYS 261 N -1.17 0.00 -4.16 1.61 4.76 -1.26 -4.66 118.16 113.27 1de4 n LYS 261 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 1de4 n LYS 261 Cb 0.00 -0.41 -0.06 0.00 -1.84 0.00 0.00 35.03 32.71 1de4 n LYS 261 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1de4 s ILE 262 N 0.00 0.00 0.56 -0.18 -4.36 -1.26 -5.14 121.20 110.82 1de4 s ILE 262 Ca 0.00 -1.78 -0.17 0.00 -0.26 0.00 0.00 60.65 58.44 1de4 s ILE 262 Cb 0.00 -2.54 -0.05 0.00 1.25 0.00 0.00 42.46 41.12 1de4 s ILE 262 CO 0.00 0.00 1.05 -0.89 0.24 0.00 0.00 174.94 175.34 1de4 s THR 263 N -3.42 3.78 0.10 8.37 2.01 -1.26 -4.91 115.64 120.31 1de4 s THR 263 Ca 0.35 0.93 -0.26 0.00 0.31 0.00 0.00 61.69 63.02 1de4 s THR 263 Cb 0.02 -3.40 -0.12 0.00 0.01 0.00 0.00 72.50 69.00 1de4 s THR 263 CO 0.21 -0.41 1.68 -0.26 -0.69 0.00 0.00 174.62 175.15 1de4 h PHE 264 N 0.82 -0.38 -1.01 4.92 0.05 -1.96 -0.74 116.94 118.64 1de4 h PHE 264 Ca -0.48 0.00 0.24 0.00 3.82 0.00 0.00 57.97 61.55 1de4 h PHE 264 Cb 1.22 0.15 -0.10 0.00 2.00 0.00 0.00 35.95 39.22 1de4 h PHE 264 CO 0.58 -0.23 0.63 0.00 -0.18 0.00 0.00 178.31 179.11 1de4 h ALA 265 N 0.49 2.00 -0.11 2.45 0.00 -1.76 0.37 119.26 122.72 1de4 h ALA 265 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1de4 h ALA 265 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1de4 h ALA 265 CO -0.04 -0.41 -0.12 0.93 0.00 0.00 0.00 179.25 179.61 1de4 h GLU 266 N 0.52 0.28 0.34 0.00 5.08 -1.69 0.64 114.58 119.75 1de4 h GLU 266 Ca 0.59 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1de4 h GLU 266 Cb 1.27 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1de4 h GLU 266 CO -0.34 0.70 -0.43 0.87 -1.00 0.00 0.00 179.01 178.80 1de4 h LYS 267 N -0.13 -0.79 -0.75 2.33 1.57 0.54 0.24 116.57 119.58 1de4 h LYS 267 Ca 0.02 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.94 1de4 h LYS 267 Cb 0.65 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.09 1de4 h LYS 267 CO 0.03 -0.52 0.49 0.28 -0.57 0.00 0.00 179.45 179.16 1de4 h VAL 268 N -0.82 0.96 -0.10 0.50 2.07 -0.39 -0.33 116.25 118.15 1de4 h VAL 268 Ca -0.02 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.10 1de4 h VAL 268 Cb 0.75 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1de4 h VAL 268 CO -0.12 0.13 -0.64 0.00 0.02 0.00 0.00 177.57 176.96 1de4 h ALA 269 N 1.61 0.73 -0.20 1.67 0.00 -0.10 -1.39 119.26 121.58 1de4 h ALA 269 Ca 0.34 -0.56 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1de4 h ALA 269 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1de4 h ALA 269 CO -0.12 0.73 -0.54 -0.91 0.00 0.00 0.00 179.25 178.41 1de4 h ASN 270 N 0.26 0.83 -0.13 0.00 2.35 0.42 -2.47 115.58 116.85 1de4 h ASN 270 Ca -0.01 -0.58 -0.01 0.00 -0.55 0.00 0.00 56.30 55.15 1de4 h ASN 270 Cb 1.17 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 1de4 h ASN 270 CO 0.11 1.26 0.05 0.00 -1.65 0.00 0.00 177.43 177.19 1de4 h ALA 271 N 0.59 0.17 -0.31 -0.83 0.00 -1.06 -2.92 119.26 114.91 1de4 h ALA 271 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1de4 h ALA 271 Cb 1.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1de4 h ALA 271 CO 0.12 -0.23 0.21 1.49 0.00 0.00 0.00 179.25 180.83 1de4 h GLU 272 N 0.05 0.34 0.00 0.00 4.81 -1.26 0.20 114.58 118.72 1de4 h GLU 272 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1de4 h GLU 272 Cb 0.18 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1de4 h GLU 272 CO -0.00 0.22 0.00 -1.13 -0.73 0.00 0.00 179.01 177.37 1de4 n SER 273 N -4.49 0.57 -1.31 1.04 3.41 -0.93 -1.82 113.62 110.09 1de4 n SER 273 Ca 0.02 0.62 0.08 0.00 -0.26 0.00 0.00 58.87 59.33 1de4 n SER 273 Cb 0.13 -0.75 0.32 0.00 -0.26 0.00 0.00 64.21 63.65 1de4 n SER 273 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1de4 n LEU 274 N -2.10 4.64 -1.24 1.04 4.77 0.00 -4.95 117.00 119.16 1de4 n LEU 274 Ca 0.03 -2.94 -0.16 0.00 -0.03 0.00 0.00 56.01 52.91 1de4 n LEU 274 Cb 0.27 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 1de4 n LEU 274 CO 0.22 0.66 -0.15 0.59 -1.33 0.00 0.00 177.39 177.37 1de4 n ASN 275 N 0.02 -5.28 -4.50 -1.43 3.02 -0.75 -3.00 115.26 103.34 1de4 n ASN 275 Ca 0.24 0.40 -0.28 0.00 -0.03 0.00 0.00 54.58 54.91 1de4 n ASN 275 Cb 1.01 -4.21 0.24 0.00 -0.61 0.00 0.00 39.78 36.21 1de4 n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1de4 s ALA 276 N -2.49 -0.28 -0.07 5.41 0.00 -0.86 -1.72 121.76 121.76 1de4 s ALA 276 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1de4 s ALA 276 Cb 0.00 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.95 1de4 s ALA 276 CO 0.00 -3.72 -0.02 0.42 0.00 0.00 0.00 175.76 172.45 1de4 s ILE 277 N -2.57 0.46 0.42 0.00 1.01 0.47 -4.66 121.20 116.33 1de4 s ILE 277 Ca 0.68 0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1de4 s ILE 277 Cb -0.23 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.67 1de4 s ILE 277 CO 0.63 0.25 0.00 0.61 0.00 0.00 0.00 174.94 176.44 1de4 n GLY 278 N 4.79 -3.62 2.96 6.18 0.00 -1.24 -3.30 105.19 110.96 1de4 n GLY 278 Ca -0.13 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 1de4 n GLY 278 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1de4 s VAL 279 N -4.83 -0.02 -0.10 1.61 1.01 -0.55 -2.54 120.40 114.98 1de4 s VAL 279 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1de4 s VAL 279 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 1de4 s VAL 279 CO 0.00 0.03 -0.13 -0.76 0.00 0.00 0.00 175.10 174.24 1de4 s LEU 280 N 0.51 2.73 -0.01 3.92 1.43 0.71 -1.06 118.68 126.91 1de4 s LEU 280 Ca -0.04 -0.27 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1de4 s LEU 280 Cb -0.05 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1de4 s LEU 280 CO -0.02 0.24 -0.26 -0.63 0.23 0.00 0.00 176.35 175.91 1de4 s ILE 281 N -0.10 2.06 0.19 -0.59 1.01 0.02 -0.53 121.20 123.27 1de4 s ILE 281 Ca -0.02 -1.16 -0.12 0.00 0.00 0.00 0.00 60.65 59.35 1de4 s ILE 281 Cb -0.14 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.61 1de4 s ILE 281 CO 0.04 0.54 0.39 -0.72 0.00 0.00 0.00 174.94 175.18 1de4 s TYR 282 N -0.65 0.24 -0.37 3.97 -0.85 -0.62 -1.08 117.35 117.99 1de4 s TYR 282 Ca 0.10 -0.59 -0.07 0.00 -0.52 0.00 0.00 57.07 55.99 1de4 s TYR 282 Cb -0.10 0.12 0.06 0.00 0.38 0.00 0.00 41.96 42.42 1de4 s TYR 282 CO -0.00 -0.83 0.16 -1.64 -1.52 0.00 0.00 175.55 171.72 1de4 s MET 283 N -3.95 2.57 0.57 -3.49 -1.94 -1.26 -1.17 119.30 110.63 1de4 s MET 283 Ca 0.16 -1.32 -0.19 0.00 -1.71 0.00 0.00 55.69 52.63 1de4 s MET 283 Cb 0.01 -3.57 -0.04 0.00 2.01 0.00 0.00 34.83 33.24 1de4 s MET 283 CO 0.01 -0.79 1.14 0.16 -0.01 0.00 0.00 175.02 175.53 1de4 s ASP 284 N 1.66 5.49 0.53 3.03 -4.77 -1.26 -4.58 116.67 116.78 1de4 s ASP 284 Ca 0.01 2.19 0.25 0.00 -3.30 0.00 0.00 52.55 51.70 1de4 s ASP 284 Cb -0.21 -2.58 1.48 0.00 -1.09 0.00 0.00 42.92 40.52 1de4 s ASP 284 CO 0.02 -1.37 2.13 -0.61 0.70 0.00 0.00 175.17 176.03 1de4 h GLN 285 N 0.93 0.00 0.23 2.11 4.15 -1.96 -0.56 115.11 120.02 1de4 h GLN 285 Ca -0.50 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 1de4 h GLN 285 Cb 1.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1de4 h GLN 285 CO 0.56 0.08 -0.11 1.15 -1.93 0.00 0.00 178.83 178.58 1de4 h THR 286 N 0.00 0.00 -0.81 2.39 2.02 -1.94 -2.17 112.91 112.40 1de4 h THR 286 Ca -0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1de4 h THR 286 Cb 0.19 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 1de4 h THR 286 CO 0.01 0.00 0.47 0.11 0.37 0.00 0.00 175.52 176.48 1de4 h LYS 287 N -0.42 1.11 -3.03 6.66 1.79 -1.89 -3.32 116.57 117.47 1de4 h LYS 287 Ca -0.03 -0.11 -0.62 0.00 -2.18 0.00 0.00 60.65 57.71 1de4 h LYS 287 Cb 0.24 -0.23 -0.42 0.00 -1.58 0.00 0.00 32.23 30.24 1de4 h LYS 287 CO 0.05 0.79 -0.56 1.19 -1.08 0.00 0.00 179.45 179.84 1de4 n PHE 288 N -4.36 3.33 -1.51 -1.35 3.01 -0.22 -4.66 117.46 111.69 1de4 n PHE 288 Ca 0.09 -4.30 -0.37 0.00 1.01 0.00 0.00 57.45 53.87 1de4 n PHE 288 Cb 0.08 -0.64 -0.06 0.00 -0.01 0.00 0.00 39.48 38.85 1de4 n PHE 288 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1de4 n PRO 289 N 1.87 1.49 -3.97 -1.08 -0.04 -0.82 -4.20 135.00 128.26 1de4 n PRO 289 Ca 0.21 -2.08 -0.31 0.00 -0.04 0.00 0.00 63.50 61.28 1de4 n PRO 289 Cb 0.35 -3.24 -0.05 0.00 -0.04 0.00 0.00 33.50 30.52 1de4 n PRO 289 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1de4 s ILE 290 N 7.61 5.07 -0.04 0.52 -4.36 -1.26 -5.05 121.20 123.70 1de4 s ILE 290 Ca 0.62 -0.53 -0.12 0.00 -0.26 0.00 0.00 60.65 60.36 1de4 s ILE 290 Cb 0.08 -3.47 -0.07 0.00 1.25 0.00 0.00 42.46 40.26 1de4 s ILE 290 CO 0.13 0.13 0.53 0.58 0.24 0.00 0.00 174.94 176.56 1de4 h VAL 291 N 2.26 0.00 -2.50 8.37 2.07 -2.00 -3.43 116.25 121.01 1de4 h VAL 291 Ca -0.46 -0.58 -0.57 0.00 0.82 0.00 0.00 66.70 65.91 1de4 h VAL 291 Cb 1.16 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1de4 h VAL 291 CO 0.72 0.00 1.27 0.21 0.02 0.00 0.00 177.57 179.80 1de4 s ASN 292 N -4.76 6.01 0.00 0.57 2.47 -1.26 -4.84 114.94 113.13 1de4 s ASN 292 Ca -0.06 1.71 0.28 0.00 0.42 0.00 0.00 52.86 55.21 1de4 s ASN 292 Cb 0.01 -2.52 1.01 0.00 -1.45 0.00 0.00 41.25 38.29 1de4 s ASN 292 CO 0.19 -1.54 1.73 0.00 -3.72 0.00 0.00 177.10 173.75 1de4 n ALA 293 N 9.68 2.91 1.29 1.71 0.00 -1.26 -3.32 120.51 131.52 1de4 n ALA 293 Ca 0.23 -0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1de4 n ALA 293 Cb 0.45 -1.25 0.46 0.00 0.00 0.00 0.00 19.45 19.11 1de4 n ALA 293 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1de4 n GLU 294 N -0.87 0.74 -1.85 0.00 -0.58 -1.26 -1.38 120.64 115.45 1de4 n GLU 294 Ca 0.13 -0.37 -0.42 0.00 -0.42 0.00 0.00 57.16 56.08 1de4 n GLU 294 Cb 0.31 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 1de4 n GLU 294 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1de4 s LEU 295 N -2.52 4.37 0.36 -4.62 2.96 -1.21 -4.81 118.68 113.21 1de4 s LEU 295 Ca 0.25 2.68 0.07 0.00 -0.22 0.00 0.00 54.13 56.91 1de4 s LEU 295 Cb 0.19 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.28 1de4 s LEU 295 CO 0.51 -0.90 0.35 -0.94 -1.32 0.00 0.00 176.35 174.04 1de4 s SER 296 N 1.66 5.35 0.18 3.68 1.04 -1.26 -4.35 113.70 120.00 1de4 s SER 296 Ca 0.74 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.62 1de4 s SER 296 Cb -0.45 -0.91 -0.03 0.00 0.10 0.00 0.00 66.02 64.73 1de4 s SER 296 CO 0.32 -0.44 0.21 0.72 0.98 0.00 0.00 173.24 175.03 1de4 s PHE 297 N -2.32 0.78 0.22 5.02 -0.00 -1.26 -4.45 117.98 115.97 1de4 s PHE 297 Ca 0.44 -1.10 0.11 0.00 -0.00 0.00 0.00 56.93 56.38 1de4 s PHE 297 Cb -0.06 -0.30 -0.05 0.00 -0.00 0.00 0.00 43.02 42.61 1de4 s PHE 297 CO 0.28 -0.69 -0.20 0.12 -0.00 0.00 0.00 175.22 174.73 1de4 s PHE 298 N -4.07 2.37 0.06 3.49 5.36 0.40 -3.02 117.98 122.58 1de4 s PHE 298 Ca 0.28 -0.32 -0.26 0.00 -0.96 0.00 0.00 56.93 55.66 1de4 s PHE 298 Cb 0.05 -1.12 0.09 0.00 -0.34 0.00 0.00 43.02 41.70 1de4 s PHE 298 CO 0.06 0.57 1.18 0.20 -1.46 0.00 0.00 175.22 175.78 1de4 s GLY 299 N -3.00 -0.08 0.07 13.12 0.00 -1.11 -4.74 107.32 111.57 1de4 s GLY 299 Ca 0.25 -0.01 0.04 0.00 0.00 0.00 0.00 44.72 44.99 1de4 s GLY 299 CO 0.13 3.52 -0.11 -2.38 0.00 0.00 0.00 173.10 174.25 1de4 s HIS 300 N -2.18 1.02 -0.17 1.90 -3.43 -1.26 -0.25 115.29 110.91 1de4 s HIS 300 Ca 0.24 -0.54 0.17 0.00 -0.80 0.00 0.00 55.06 54.12 1de4 s HIS 300 Cb -0.01 -0.57 0.47 0.00 -1.43 0.00 0.00 32.58 31.04 1de4 s HIS 300 CO 0.01 0.00 1.36 0.00 -2.00 0.00 0.00 174.74 174.11 1de4 n ALA 301 N 1.05 2.91 -2.55 -1.38 0.00 0.23 -3.80 120.51 116.96 1de4 n ALA 301 Ca -0.20 -2.45 -0.43 0.00 0.00 0.00 0.00 53.44 50.36 1de4 n ALA 301 Cb 0.56 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 1de4 n ALA 301 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1de4 s HIS 302 N -2.87 2.97 -1.38 0.00 5.04 -1.26 -4.34 115.29 113.45 1de4 s HIS 302 Ca 0.40 1.07 -0.14 0.00 -1.54 0.00 0.00 55.06 54.84 1de4 s HIS 302 Cb 0.33 -3.77 -0.01 0.00 0.04 0.00 0.00 32.58 29.18 1de4 s HIS 302 CO 0.07 -1.15 2.29 -0.11 -2.34 0.00 0.00 174.74 173.50 1de4 n LEU 303 N 7.12 6.72 0.00 8.88 7.94 0.26 -4.71 117.00 143.20 1de4 n LEU 303 Ca 0.13 -3.97 0.00 0.00 -1.11 0.00 0.00 56.01 51.06 1de4 n LEU 303 Cb 0.47 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.86 1de4 n LEU 303 CO 0.61 1.04 0.00 0.61 -1.11 0.00 0.00 177.39 178.53 1de4 n GLY 304 N 4.07 -0.70 3.20 -3.96 0.00 -1.26 -4.53 105.19 102.02 1de4 n GLY 304 Ca 0.55 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1de4 n GLY 304 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1de4 s THR 305 N -3.67 0.13 0.10 2.61 -4.23 -1.26 -4.87 115.64 104.44 1de4 s THR 305 Ca 0.00 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1de4 s THR 305 Cb 0.00 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.18 1de4 s THR 305 CO 0.00 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 1de4 n GLY 306 N -0.07 -1.72 3.60 3.99 0.00 -0.12 -4.71 105.19 106.17 1de4 n GLY 306 Ca -0.11 -1.43 -0.45 0.00 0.00 0.00 0.00 46.02 44.04 1de4 n GLY 306 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1de4 n ASP 307 N -2.27 3.34 0.00 1.61 -0.08 -1.26 -4.78 116.55 113.11 1de4 n ASP 307 Ca -0.00 0.51 0.05 0.00 -1.51 0.00 0.00 54.79 53.84 1de4 n ASP 307 Cb 0.16 -1.48 0.25 0.00 2.34 0.00 0.00 41.12 42.39 1de4 n ASP 307 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1de4 n PRO 308 N 8.07 0.18 -0.09 -0.67 -0.04 -1.26 -1.98 135.00 139.20 1de4 n PRO 308 Ca 0.28 0.14 0.09 0.00 -0.04 0.00 0.00 63.50 63.97 1de4 n PRO 308 Cb 0.38 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.47 1de4 n PRO 308 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1de4 n TYR 309 N -1.20 0.23 -2.67 0.54 4.02 -1.26 -0.83 117.16 115.99 1de4 n TYR 309 Ca 0.05 -0.16 -0.16 0.00 -0.01 0.00 0.00 57.90 57.62 1de4 n TYR 309 Cb 0.06 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.39 1de4 n TYR 309 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1de4 n THR 310 N 1.02 1.38 -1.68 -0.72 -2.24 -0.84 -4.24 114.28 106.96 1de4 n THR 310 Ca 0.13 -3.84 -0.44 0.00 -2.27 0.00 0.00 64.05 57.63 1de4 n THR 310 Cb 0.47 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1de4 n THR 310 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1de4 n PRO 311 N -0.16 2.66 -1.07 -0.78 -0.04 -1.24 -2.37 135.00 132.00 1de4 n PRO 311 Ca 0.20 0.97 -0.02 0.00 -0.04 0.00 0.00 63.50 64.61 1de4 n PRO 311 Cb 0.74 -2.86 -0.01 0.00 -0.04 0.00 0.00 33.50 31.33 1de4 n PRO 311 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1de4 n GLY 312 N 4.24 0.53 3.40 0.55 0.00 -1.26 -4.93 105.19 107.73 1de4 n GLY 312 Ca 0.19 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1de4 n GLY 312 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1de4 s PHE 313 N -1.86 -0.28 0.31 1.61 -0.12 -1.00 -4.72 117.98 111.92 1de4 s PHE 313 Ca 0.00 -0.01 -0.28 0.00 -0.05 0.00 0.00 56.93 56.59 1de4 s PHE 313 Cb 0.00 0.39 -0.09 0.00 -0.63 0.00 0.00 43.02 42.68 1de4 s PHE 313 CO 0.00 -0.80 1.05 -1.25 -0.05 0.00 0.00 175.22 174.17 1de4 s PRO 314 N -3.81 4.54 -1.29 1.99 0.04 -1.26 -4.76 135.00 130.45 1de4 s PRO 314 Ca 0.04 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 1de4 s PRO 314 Cb 0.00 -3.00 0.09 0.00 0.04 0.00 0.00 34.50 31.64 1de4 s PRO 314 CO -0.10 0.17 1.71 0.43 0.04 0.00 0.00 177.00 179.25 1de4 n SER 315 N 0.84 4.94 -4.11 6.66 7.64 -1.26 -4.82 113.62 123.51 1de4 n SER 315 Ca 0.01 -2.93 -0.20 0.00 1.01 0.00 0.00 58.87 56.75 1de4 n SER 315 Cb 0.47 -1.70 -0.14 0.00 -1.01 0.00 0.00 64.21 61.83 1de4 n SER 315 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1de4 s PHE 316 N 3.52 1.17 0.58 1.43 2.99 -1.26 -3.28 117.98 123.13 1de4 s PHE 316 Ca 0.51 -0.29 0.28 0.00 0.00 0.00 0.00 56.93 57.44 1de4 s PHE 316 Cb 0.03 -0.72 1.54 0.00 0.00 0.00 0.00 43.02 43.87 1de4 s PHE 316 CO 0.05 0.01 1.99 -0.91 -0.00 0.00 0.00 175.22 176.36 1de4 h ASN 317 N 5.37 0.00 -0.11 1.36 4.21 -1.93 0.19 115.58 124.68 1de4 h ASN 317 Ca -0.36 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.19 1de4 h ASN 317 Cb 1.17 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.37 1de4 h ASN 317 CO 0.46 0.00 0.10 0.45 -1.29 0.00 0.00 177.43 177.16 1de4 h HIS 318 N 0.00 0.00 0.00 1.19 3.86 -1.95 0.59 115.15 118.84 1de4 h HIS 318 Ca 0.17 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.28 1de4 h HIS 318 Cb 0.87 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.32 1de4 h HIS 318 CO 0.00 0.00 -0.47 0.00 0.86 0.00 0.00 177.93 178.32 1de4 h THR 319 N 0.00 1.08 -3.97 2.45 1.03 -0.92 -3.47 112.91 109.11 1de4 h THR 319 Ca 0.05 -1.76 -0.39 0.00 -0.01 0.00 0.00 66.41 64.30 1de4 h THR 319 Cb 0.26 2.03 0.01 0.00 -1.07 0.00 0.00 68.15 69.38 1de4 h THR 319 CO -0.00 0.46 -0.55 0.00 -0.01 0.00 0.00 175.52 175.42 1de4 n GLN 320 N -3.61 -3.33 -2.24 0.00 6.02 0.20 -3.96 117.38 110.46 1de4 n GLN 320 Ca -0.00 0.88 -0.04 0.00 -0.01 0.00 0.00 57.00 57.82 1de4 n GLN 320 Cb 0.56 -5.63 0.00 0.00 1.02 0.00 0.00 30.24 26.19 1de4 n GLN 320 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1de4 n PHE 321 N -4.16 -0.29 -1.03 1.08 3.01 -1.26 -4.88 117.46 109.92 1de4 n PHE 321 Ca -0.16 0.12 -0.32 0.00 1.01 0.00 0.00 57.45 58.10 1de4 n PHE 321 Cb 0.64 -0.32 0.13 0.00 -0.01 0.00 0.00 39.48 39.92 1de4 n PHE 321 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1de4 s PRO 322 N -1.72 1.57 -0.49 -1.08 0.04 -1.25 -4.86 135.00 127.22 1de4 s PRO 322 Ca 0.02 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 1de4 s PRO 322 Cb -0.00 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 1de4 s PRO 322 CO 0.12 -2.22 1.87 -1.25 0.04 0.00 0.00 177.00 175.55 1de4 s PRO 323 N -4.44 2.89 -0.05 0.56 0.04 -1.26 -4.93 135.00 127.82 1de4 s PRO 323 Ca 0.69 1.00 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 1de4 s PRO 323 Cb -0.24 -4.32 0.03 0.00 0.04 0.00 0.00 34.50 30.01 1de4 s PRO 323 CO 0.53 -2.40 0.10 0.45 0.04 0.00 0.00 177.00 175.73 1de4 s SER 324 N 7.50 -0.06 -0.16 6.66 0.15 -1.26 -5.14 113.70 121.40 1de4 s SER 324 Ca 0.74 0.20 0.01 0.00 0.70 0.00 0.00 55.95 57.60 1de4 s SER 324 Cb -0.17 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1de4 s SER 324 CO 0.26 -0.12 -0.15 -0.60 1.20 0.00 0.00 173.24 173.83 1de4 s ARG 325 N 0.96 2.44 0.16 5.44 3.52 -1.26 -4.38 118.95 125.83 1de4 s ARG 325 Ca -0.08 -0.63 -0.34 0.00 -0.13 0.00 0.00 55.73 54.56 1de4 s ARG 325 Cb -0.10 -2.22 -0.14 0.00 -1.56 0.00 0.00 34.95 30.93 1de4 s ARG 325 CO -0.04 -0.24 1.57 0.45 -0.81 0.00 0.00 175.30 176.23 1de4 n SER 326 N 4.73 3.04 0.00 -2.12 2.88 -0.01 -4.82 113.62 117.34 1de4 n SER 326 Ca -0.18 1.09 0.08 0.00 -1.33 0.00 0.00 58.87 58.53 1de4 n SER 326 Cb 0.50 -1.42 0.50 0.00 -0.75 0.00 0.00 64.21 63.03 1de4 n SER 326 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1de4 n SER 327 N 3.36 0.00 -0.99 -3.46 3.41 -1.26 -1.92 113.62 112.76 1de4 n SER 327 Ca 0.17 -0.61 0.11 0.00 -0.26 0.00 0.00 58.87 58.28 1de4 n SER 327 Cb 0.29 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.50 1de4 n SER 327 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1de4 n GLY 328 N 0.13 1.35 3.70 5.00 0.00 -1.26 -4.89 105.19 109.21 1de4 n GLY 328 Ca 0.13 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1de4 n GLY 328 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1de4 s LEU 329 N -1.44 4.27 0.64 0.99 1.43 -0.81 -0.58 118.68 123.18 1de4 s LEU 329 Ca 0.37 1.30 -0.17 0.00 -1.03 0.00 0.00 54.13 54.61 1de4 s LEU 329 Cb 0.21 -3.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1de4 s LEU 329 CO 0.29 -0.27 1.15 -2.16 0.23 0.00 0.00 176.35 175.60 1de4 s PRO 330 N 1.40 2.80 -0.19 1.29 0.04 -1.26 -4.98 135.00 134.11 1de4 s PRO 330 Ca 0.41 1.58 0.16 0.00 0.04 0.00 0.00 61.00 63.20 1de4 s PRO 330 Cb -0.18 -1.93 0.51 0.00 0.04 0.00 0.00 34.50 32.93 1de4 s PRO 330 CO 0.18 -1.28 1.40 0.09 0.04 0.00 0.00 177.00 177.43 1de4 n ASN 331 N -2.11 3.61 -4.13 6.66 3.02 -1.26 -4.43 115.26 116.62 1de4 n ASN 331 Ca 0.12 -3.10 -0.11 0.00 -0.03 0.00 0.00 54.58 51.45 1de4 n ASN 331 Cb 0.51 -0.54 -0.11 0.00 -0.61 0.00 0.00 39.78 39.03 1de4 n ASN 331 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1de4 s ILE 332 N -2.88 0.62 0.56 2.41 -4.36 -1.26 -4.90 121.20 111.39 1de4 s ILE 332 Ca 0.42 -1.62 -0.18 0.00 -0.26 0.00 0.00 60.65 59.01 1de4 s ILE 332 Cb 0.34 -1.29 -0.05 0.00 1.25 0.00 0.00 42.46 42.71 1de4 s ILE 332 CO 0.07 -0.70 1.08 -2.16 0.24 0.00 0.00 174.94 173.47 1de4 s PRO 333 N -3.03 3.36 -0.06 0.37 0.04 -1.25 -2.39 135.00 132.04 1de4 s PRO 333 Ca 0.04 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.43 1de4 s PRO 333 Cb -0.00 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.55 1de4 s PRO 333 CO -0.03 -0.80 0.13 0.08 0.04 0.00 0.00 177.00 176.42 1de4 s VAL 334 N -2.15 -0.07 0.09 -0.36 1.01 -1.26 -1.48 120.40 116.18 1de4 s VAL 334 Ca 0.67 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.90 1de4 s VAL 334 Cb -0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1de4 s VAL 334 CO 0.31 0.09 -0.10 -1.58 0.00 0.00 0.00 175.10 173.81 1de4 s GLN 335 N 1.30 0.82 -0.13 2.72 2.00 -0.22 -4.25 119.66 121.89 1de4 s GLN 335 Ca -0.08 -1.12 -0.06 0.00 -2.00 0.00 0.00 55.36 52.10 1de4 s GLN 335 Cb -0.12 -0.51 -0.04 0.00 0.80 0.00 0.00 33.01 33.14 1de4 s GLN 335 CO -0.05 0.08 0.10 0.99 -0.50 0.00 0.00 175.29 175.90 1de4 s THR 336 N -2.34 5.12 0.04 -0.34 2.01 -1.26 -0.80 115.64 118.07 1de4 s THR 336 Ca 0.04 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1de4 s THR 336 Cb -0.03 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1de4 s THR 336 CO -0.00 0.57 -0.09 0.27 -0.69 0.00 0.00 174.62 174.68 1de4 s ILE 337 N -0.58 0.62 1.00 1.82 -4.36 -0.24 -4.73 121.20 114.74 1de4 s ILE 337 Ca 0.12 -1.02 -0.12 0.00 -0.26 0.00 0.00 60.65 59.36 1de4 s ILE 337 Cb -0.12 -0.66 0.19 0.00 1.25 0.00 0.00 42.46 43.12 1de4 s ILE 337 CO 0.02 -0.30 1.08 -0.94 0.24 0.00 0.00 174.94 175.04 1de4 s SER 338 N -1.44 2.46 0.15 4.36 1.04 -1.26 -4.35 113.70 114.65 1de4 s SER 338 Ca -0.07 1.48 -0.12 0.00 0.48 0.00 0.00 55.95 57.71 1de4 s SER 338 Cb -0.09 -2.16 0.02 0.00 0.10 0.00 0.00 66.02 63.89 1de4 s SER 338 CO 0.01 -3.27 1.61 -0.09 0.98 0.00 0.00 173.24 172.48 1de4 h ARG 339 N -1.99 0.86 -0.38 4.02 2.43 -1.57 -2.15 114.38 115.61 1de4 h ARG 339 Ca -0.54 -0.26 0.08 0.00 -0.81 0.00 0.00 59.98 58.46 1de4 h ARG 339 Cb 1.31 -0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.69 1de4 h ARG 339 CO 0.53 0.88 -0.22 0.00 -1.51 0.00 0.00 179.97 179.66 1de4 h ALA 340 N 0.95 0.04 -0.58 2.80 0.00 -1.59 0.74 119.26 121.62 1de4 h ALA 340 Ca 0.15 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1de4 h ALA 340 Cb 0.47 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1de4 h ALA 340 CO 0.02 -0.59 0.31 0.00 0.00 0.00 0.00 179.25 178.99 1de4 h ALA 341 N 1.07 0.76 -0.52 0.00 0.00 -1.76 -0.09 119.26 118.72 1de4 h ALA 341 Ca 0.19 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1de4 h ALA 341 Cb 0.44 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1de4 h ALA 341 CO -0.47 -0.03 0.21 0.00 0.00 0.00 0.00 179.25 178.96 1de4 h ALA 342 N 1.31 0.65 -0.57 0.00 0.00 -0.35 -0.11 119.26 120.20 1de4 h ALA 342 Ca 0.26 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1de4 h ALA 342 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1de4 h ALA 342 CO -0.17 -0.17 0.13 0.93 0.00 0.00 0.00 179.25 179.97 1de4 h GLU 343 N 0.41 0.89 -0.74 0.00 5.08 -0.02 0.18 114.58 120.39 1de4 h GLU 343 Ca 0.24 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1de4 h GLU 343 Cb 0.23 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1de4 h GLU 343 CO -0.22 0.80 0.35 0.87 -1.00 0.00 0.00 179.01 179.81 1de4 h LYS 344 N 0.85 1.06 -0.13 2.33 1.57 0.27 -1.09 116.57 121.43 1de4 h LYS 344 Ca 0.18 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1de4 h LYS 344 Cb 0.33 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1de4 h LYS 344 CO 0.00 0.82 -0.43 -0.07 -0.57 0.00 0.00 179.45 179.20 1de4 h LEU 345 N 1.05 0.34 -1.76 2.94 -0.00 -0.39 -2.57 115.31 114.92 1de4 h LEU 345 Ca 0.26 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 1de4 h LEU 345 Cb 0.12 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1de4 h LEU 345 CO -0.03 0.73 -0.09 -0.26 -0.00 0.00 0.00 178.44 178.79 1de4 h PHE 346 N 0.26 0.00 0.00 1.13 0.05 0.21 -1.34 116.94 117.25 1de4 h PHE 346 Ca 0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1de4 h PHE 346 Cb 0.87 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.82 1de4 h PHE 346 CO 0.02 0.09 0.00 0.41 -0.18 0.00 0.00 178.31 178.66 1de4 n GLY 347 N -0.36 -0.83 0.34 -1.45 0.00 -0.59 -2.29 105.19 100.01 1de4 n GLY 347 Ca -0.01 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.93 1de4 n GLY 347 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1de4 n ASN 348 N -1.06 1.52 -4.37 1.61 5.03 -0.51 -5.05 115.26 112.44 1de4 n ASN 348 Ca 0.17 -2.81 -0.19 0.00 0.87 0.00 0.00 54.58 52.62 1de4 n ASN 348 Cb 0.11 -0.37 -0.10 0.00 -1.02 0.00 0.00 39.78 38.40 1de4 n ASN 348 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1de4 s MET 349 N -1.92 1.39 0.26 3.52 -1.94 -0.97 -1.31 119.30 118.32 1de4 s MET 349 Ca 0.24 -1.65 0.04 0.00 -1.71 0.00 0.00 55.69 52.61 1de4 s MET 349 Cb 0.22 -1.09 -0.05 0.00 2.01 0.00 0.00 34.83 35.92 1de4 s MET 349 CO -0.00 0.12 -0.01 -1.21 -0.01 0.00 0.00 175.02 173.91 1de4 s GLU 350 N -3.68 1.44 0.00 2.03 2.02 -0.52 -4.85 118.70 115.14 1de4 s GLU 350 Ca 0.25 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.50 1de4 s GLU 350 Cb 0.01 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.44 1de4 s GLU 350 CO 0.08 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1de4 n GLY 351 N -0.50 -0.89 3.71 -1.39 0.00 -1.26 -3.19 105.19 101.68 1de4 n GLY 351 Ca -0.05 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1de4 n GLY 351 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1de4 n ASP 352 N 0.00 3.55 -4.72 1.61 8.00 -1.26 -2.79 116.55 120.95 1de4 n ASP 352 Ca 0.00 1.12 -0.42 0.00 0.71 0.00 0.00 54.79 56.20 1de4 n ASP 352 Cb 0.00 -1.53 -0.03 0.00 -0.02 0.00 0.00 41.12 39.54 1de4 n ASP 352 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1de4 n PRO 354 N 3.98 0.98 0.25 0.00 -0.02 -1.26 -4.83 135.00 134.10 1de4 n PRO 354 Ca 0.14 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 62.05 1de4 n PRO 354 Cb 0.38 -1.96 0.62 0.00 -0.02 0.00 0.00 33.50 32.52 1de4 n PRO 354 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1de4 h SER 355 N 4.23 0.00 -0.85 2.55 4.64 -1.97 -1.69 113.55 120.45 1de4 h SER 355 Ca -0.48 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.01 1de4 h SER 355 Cb 1.35 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.38 1de4 h SER 355 CO 0.75 0.06 0.56 -0.78 -0.87 0.00 0.00 176.83 176.55 1de4 h ASP 356 N 0.00 0.48 0.77 4.97 1.82 -2.01 0.34 116.42 122.79 1de4 h ASP 356 Ca -0.00 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1de4 h ASP 356 Cb 0.11 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.06 1de4 h ASP 356 CO 0.01 0.22 0.00 -0.50 -1.61 0.00 0.00 179.24 177.36 1de4 h TRP 357 N 0.50 0.00 -6.40 0.28 4.06 -1.66 -3.47 115.95 109.25 1de4 h TRP 357 Ca 0.43 0.00 -0.43 0.00 2.06 0.00 0.00 58.89 60.95 1de4 h TRP 357 Cb 0.93 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 29.12 1de4 h TRP 357 CO -0.00 0.00 -0.89 1.17 -3.56 0.00 0.00 178.44 175.16 1de4 n LYS 358 N -2.71 -1.09 -4.34 0.49 3.00 0.11 -4.98 118.16 108.63 1de4 n LYS 358 Ca 0.01 0.57 -0.18 0.00 -0.00 0.00 0.00 58.31 58.70 1de4 n LYS 358 Cb 0.24 -3.53 -0.10 0.00 0.00 0.00 0.00 35.03 31.65 1de4 n LYS 358 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1de4 s THR 359 N -3.31 0.49 0.26 3.15 -1.32 -1.26 -4.86 115.64 108.79 1de4 s THR 359 Ca 0.31 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.62 1de4 s THR 359 Cb -0.13 -2.57 -0.12 0.00 -1.51 0.00 0.00 72.50 68.17 1de4 s THR 359 CO 0.88 0.00 0.15 0.47 -2.21 0.00 0.00 174.62 173.91 1de4 n ASP 360 N -0.73 -1.79 0.00 8.08 9.92 -1.26 -4.79 116.55 125.98 1de4 n ASP 360 Ca -0.00 0.66 0.11 0.00 -0.53 0.00 0.00 54.79 55.03 1de4 n ASP 360 Cb 0.66 -0.66 0.64 0.00 -0.64 0.00 0.00 41.12 41.11 1de4 n ASP 360 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1de4 n SER 361 N 1.65 0.00 -0.06 -2.24 3.41 -1.26 -3.48 113.62 111.63 1de4 n SER 361 Ca 0.10 -1.18 -0.13 0.00 -0.26 0.00 0.00 58.87 57.40 1de4 n SER 361 Cb 0.26 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.07 1de4 n SER 361 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1de4 n THR 362 N -0.86 1.55 -1.48 6.66 -1.04 -1.26 -5.00 114.28 112.85 1de4 n THR 362 Ca 0.16 -0.76 -0.32 0.00 -2.04 0.00 0.00 64.05 61.09 1de4 n THR 362 Cb 0.07 -1.03 0.08 0.00 -1.82 0.00 0.00 70.33 67.63 1de4 n THR 362 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1de4 s ARG 364 N -4.40 0.94 -0.05 0.00 0.52 -1.26 -3.02 118.95 111.68 1de4 s ARG 364 Ca 0.66 -0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 55.54 1de4 s ARG 364 Cb -0.20 0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.65 1de4 s ARG 364 CO 0.48 -0.32 0.15 0.00 0.02 0.00 0.00 175.30 175.63 1de4 s MET 365 N -2.33 3.36 0.23 3.54 0.23 -1.12 -4.71 119.30 118.50 1de4 s MET 365 Ca -0.06 -0.29 0.00 0.00 -1.03 0.00 0.00 55.69 54.31 1de4 s MET 365 Cb -0.01 -3.08 0.00 0.00 -1.53 0.00 0.00 34.83 30.21 1de4 s MET 365 CO -0.01 0.71 0.00 0.28 -2.03 0.00 0.00 175.02 173.96 1de4 n VAL 366 N 1.36 -3.27 -2.38 5.16 0.31 -1.12 -3.89 118.33 114.49 1de4 n VAL 366 Ca -0.14 1.26 -0.28 0.00 -0.01 0.00 0.00 64.34 65.17 1de4 n VAL 366 Cb 0.53 -1.95 0.01 0.00 -0.91 0.00 0.00 33.84 31.52 1de4 n VAL 366 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1de4 s THR 367 N -2.11 4.52 0.16 2.52 -4.23 -1.14 -1.43 115.64 113.93 1de4 s THR 367 Ca 0.00 0.32 -0.32 0.00 -1.18 0.00 0.00 61.69 60.51 1de4 s THR 367 Cb 0.00 -3.76 -0.10 0.00 1.34 0.00 0.00 72.50 69.98 1de4 s THR 367 CO 0.00 -0.82 1.58 -0.44 -0.54 0.00 0.00 174.62 174.40 1de4 s SER 368 N -4.18 6.58 0.44 3.99 0.01 -0.43 -4.74 113.70 115.37 1de4 s SER 368 Ca 0.51 2.62 0.37 0.00 1.31 0.00 0.00 55.95 60.75 1de4 s SER 368 Cb -0.11 -2.59 1.42 0.00 0.21 0.00 0.00 66.02 64.95 1de4 s SER 368 CO 0.47 -0.84 1.37 1.21 0.41 0.00 0.00 173.24 175.86 1de4 n GLU 369 N 4.11 -0.02 0.12 12.44 2.13 -1.26 0.11 120.64 138.28 1de4 n GLU 369 Ca 0.14 1.02 -0.01 0.00 0.66 0.00 0.00 57.16 58.97 1de4 n GLU 369 Cb 0.38 -2.18 0.10 0.00 0.27 0.00 0.00 31.44 30.02 1de4 n GLU 369 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1de4 h SER 370 N 0.00 0.00 -3.44 4.31 4.64 -1.98 -3.46 113.55 113.62 1de4 h SER 370 Ca 0.80 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 61.46 1de4 h SER 370 Cb 2.92 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 64.87 1de4 h SER 370 CO -0.20 0.67 -0.70 -0.54 -0.87 0.00 0.00 176.83 175.18 1de4 s LYS 371 N -3.29 2.32 0.11 4.77 1.02 0.30 -4.18 119.74 120.79 1de4 s LYS 371 Ca 0.00 -0.95 -0.15 0.00 0.02 0.00 0.00 55.97 54.90 1de4 s LYS 371 Cb 0.11 -2.41 0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1de4 s LYS 371 CO 0.76 0.52 0.36 0.54 -0.92 0.00 0.00 175.35 176.61 1de4 s ASN 372 N -2.29 -0.16 0.20 2.83 2.20 -1.04 -4.29 114.94 112.38 1de4 s ASN 372 Ca 0.24 -0.35 0.05 0.00 -0.94 0.00 0.00 52.86 51.85 1de4 s ASN 372 Cb -0.11 0.44 -0.04 0.00 -2.00 0.00 0.00 41.25 39.54 1de4 s ASN 372 CO 0.16 -0.80 0.23 0.68 -2.94 0.00 0.00 177.10 174.43 1de4 s VAL 373 N -3.66 4.85 -0.24 3.54 -7.23 -0.48 0.43 120.40 117.60 1de4 s VAL 373 Ca 0.02 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1de4 s VAL 373 Cb 0.02 -3.55 0.07 0.00 0.56 0.00 0.00 36.38 33.48 1de4 s VAL 373 CO -0.11 -0.20 -0.02 -0.75 -0.31 0.00 0.00 175.10 173.71 1de4 s LYS 374 N -3.48 1.36 -0.02 4.82 2.20 0.15 -0.67 119.74 124.10 1de4 s LYS 374 Ca 0.33 -0.98 -0.17 0.00 -0.36 0.00 0.00 55.97 54.79 1de4 s LYS 374 Cb -0.10 -2.49 -0.05 0.00 -1.51 0.00 0.00 37.83 33.68 1de4 s LYS 374 CO 0.26 -0.67 0.46 -1.17 -0.36 0.00 0.00 175.35 173.87 1de4 s LEU 375 N 1.45 4.42 -0.11 5.43 2.96 0.28 -1.87 118.68 131.25 1de4 s LEU 375 Ca -0.02 0.98 -0.03 0.00 -0.22 0.00 0.00 54.13 54.83 1de4 s LEU 375 Cb -0.18 -2.69 0.05 0.00 0.50 0.00 0.00 46.19 43.87 1de4 s LEU 375 CO -0.09 0.21 0.09 0.28 -1.32 0.00 0.00 176.35 175.52 1de4 s THR 376 N -0.52 -0.13 -0.07 3.68 -1.32 0.21 0.23 115.64 117.72 1de4 s THR 376 Ca 0.25 0.15 0.03 0.00 -1.21 0.00 0.00 61.69 60.91 1de4 s THR 376 Cb -0.17 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1de4 s THR 376 CO 0.13 -0.04 -0.18 0.68 -2.21 0.00 0.00 174.62 173.01 1de4 s VAL 377 N 2.18 1.53 -0.19 5.08 -7.23 -0.11 -0.22 120.40 121.43 1de4 s VAL 377 Ca 0.04 -0.73 0.16 0.00 -1.81 0.00 0.00 61.98 59.64 1de4 s VAL 377 Cb -0.14 -1.35 0.38 0.00 0.56 0.00 0.00 36.38 35.83 1de4 s VAL 377 CO -0.06 0.44 1.27 -1.54 -0.31 0.00 0.00 175.10 174.90 1de4 n SER 378 N 3.55 3.05 -4.35 4.85 3.41 -1.26 -1.31 113.62 121.56 1de4 n SER 378 Ca -0.20 -2.93 -0.47 0.00 -0.26 0.00 0.00 58.87 55.01 1de4 n SER 378 Cb 0.52 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1de4 n SER 378 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1de4 n ASN 379 N -0.85 -1.41 -4.27 4.04 5.03 -1.26 -4.07 115.26 112.47 1de4 n ASN 379 Ca 0.17 1.09 -0.25 0.00 0.87 0.00 0.00 54.58 56.45 1de4 n ASN 379 Cb 0.72 -0.93 -0.14 0.00 -1.02 0.00 0.00 39.78 38.41 1de4 n ASN 379 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1de4 s VAL 380 N -1.06 1.71 0.53 2.41 -7.23 0.99 -4.66 120.40 113.09 1de4 s VAL 380 Ca 0.63 -1.31 -0.20 0.00 -1.81 0.00 0.00 61.98 59.28 1de4 s VAL 380 Cb -0.89 -1.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 1de4 s VAL 380 CO 0.56 0.14 1.16 -0.76 -0.31 0.00 0.00 175.10 175.89 1de4 s LEU 381 N -1.40 3.81 -0.12 1.32 1.43 -1.26 -0.76 118.68 121.70 1de4 s LEU 381 Ca 0.07 2.26 -0.05 0.00 -1.03 0.00 0.00 54.13 55.39 1de4 s LEU 381 Cb -0.09 -4.48 0.06 0.00 0.03 0.00 0.00 46.19 41.71 1de4 s LEU 381 CO 0.03 -1.20 0.25 -0.75 0.23 0.00 0.00 176.35 174.91 1de4 s LYS 382 N -3.11 0.14 0.07 1.70 2.20 -0.01 -4.85 119.74 115.88 1de4 s LYS 382 Ca 0.71 0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 56.73 1de4 s LYS 382 Cb -0.27 -0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 35.94 1de4 s LYS 382 CO 0.31 -0.28 0.99 -2.00 -0.36 0.00 0.00 175.35 174.01 1de4 s GLU 383 N 2.33 4.62 0.23 4.03 2.12 -1.26 -1.60 118.70 129.17 1de4 s GLU 383 Ca 0.01 1.48 0.01 0.00 0.36 0.00 0.00 54.97 56.82 1de4 s GLU 383 Cb -0.12 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 1de4 s GLU 383 CO -0.08 0.08 0.08 0.96 -0.54 0.00 0.00 175.26 175.76 1de4 s ILE 384 N 0.42 0.50 -0.24 -3.70 -4.36 0.27 -4.98 121.20 109.11 1de4 s ILE 384 Ca 0.50 -1.99 -0.07 0.00 -0.26 0.00 0.00 60.65 58.83 1de4 s ILE 384 Cb -0.23 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 1de4 s ILE 384 CO 0.29 -0.10 0.05 -0.75 0.24 0.00 0.00 174.94 174.67 1de4 s LYS 385 N -4.03 3.63 0.02 0.37 2.20 -1.26 -1.62 119.74 119.05 1de4 s LYS 385 Ca 0.35 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.47 1de4 s LYS 385 Cb 0.07 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1de4 s LYS 385 CO 0.11 -0.16 0.08 0.42 -0.36 0.00 0.00 175.35 175.44 1de4 s ILE 386 N 1.52 4.66 -0.13 5.43 1.01 0.19 -4.18 121.20 129.70 1de4 s ILE 386 Ca 0.06 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1de4 s ILE 386 Cb -0.15 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.17 1de4 s ILE 386 CO 0.03 0.27 -0.13 -0.76 0.00 0.00 0.00 174.94 174.35 1de4 s LEU 387 N -1.96 1.62 -0.30 2.97 1.43 -1.26 -1.30 118.68 119.88 1de4 s LEU 387 Ca 0.25 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 1de4 s LEU 387 Cb -0.12 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 1de4 s LEU 387 CO 0.17 -0.05 0.16 0.20 0.23 0.00 0.00 176.35 177.06 1de4 s ASN 388 N 1.41 5.63 -0.22 2.29 0.01 -0.48 -4.23 114.94 119.34 1de4 s ASN 388 Ca 0.02 -0.39 -0.13 0.00 -0.71 0.00 0.00 52.86 51.65 1de4 s ASN 388 Cb -0.13 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 1de4 s ASN 388 CO -0.08 -0.16 0.28 -0.63 -1.51 0.00 0.00 177.10 175.00 1de4 s ILE 389 N 1.65 5.28 0.24 0.60 1.09 -0.81 -0.84 121.20 128.41 1de4 s ILE 389 Ca 0.05 0.44 0.10 0.00 -1.10 0.00 0.00 60.65 60.15 1de4 s ILE 389 Cb -0.17 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 1de4 s ILE 389 CO 0.07 0.30 -0.10 -0.36 -0.10 0.00 0.00 174.94 174.75 1de4 s PHE 390 N 1.18 2.54 -0.14 3.97 0.40 0.92 -0.74 117.98 126.11 1de4 s PHE 390 Ca 0.13 -0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 56.11 1de4 s PHE 390 Cb -0.14 -1.17 0.05 0.00 0.51 0.00 0.00 43.02 42.27 1de4 s PHE 390 CO 0.06 0.60 0.36 0.20 0.70 0.00 0.00 175.22 177.14 1de4 s GLY 391 N -3.28 -0.27 0.06 4.36 0.00 0.86 -2.07 107.32 106.98 1de4 s GLY 391 Ca 0.28 1.25 0.07 0.00 0.00 0.00 0.00 44.72 46.32 1de4 s GLY 391 CO 0.16 1.34 -0.18 0.54 0.00 0.00 0.00 173.10 174.96 1de4 s VAL 392 N 1.00 1.45 -0.44 1.40 0.11 0.02 0.13 120.40 124.08 1de4 s VAL 392 Ca -0.07 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 57.75 1de4 s VAL 392 Cb -0.07 -1.31 0.12 0.00 -1.53 0.00 0.00 36.38 33.59 1de4 s VAL 392 CO -0.08 0.03 0.20 -0.63 -3.33 0.00 0.00 175.10 171.30 1de4 s ILE 393 N -0.96 2.93 0.35 7.04 1.01 0.20 -1.53 121.20 130.24 1de4 s ILE 393 Ca 0.04 -2.51 -0.27 0.00 0.00 0.00 0.00 60.65 57.92 1de4 s ILE 393 Cb -0.09 -3.03 -0.12 0.00 0.01 0.00 0.00 42.46 39.23 1de4 s ILE 393 CO 0.02 -0.71 1.18 0.29 0.00 0.00 0.00 174.94 175.72 1de4 n LYS 394 N 4.06 1.80 -1.76 2.79 5.02 -1.26 -2.05 118.16 126.76 1de4 n LYS 394 Ca 0.03 0.63 -0.31 0.00 -2.02 0.00 0.00 58.31 56.64 1de4 n LYS 394 Cb 0.39 -2.17 0.03 0.00 -0.02 0.00 0.00 35.03 33.26 1de4 n LYS 394 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1de4 s GLY 395 N -0.46 1.66 0.00 0.72 0.00 -1.26 -4.79 107.32 103.19 1de4 s GLY 395 Ca 0.58 -0.07 0.25 0.00 0.00 0.00 0.00 44.72 45.48 1de4 s GLY 395 CO 0.60 0.24 1.36 0.69 0.00 0.00 0.00 173.10 175.98 1de4 n PHE 396 N -2.94 0.00 0.00 1.90 3.01 0.26 -4.29 117.46 115.40 1de4 n PHE 396 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1de4 n PHE 396 Cb 0.54 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 1de4 n PHE 396 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1de4 n VAL 397 N -1.08 0.00 -3.61 -4.37 0.31 -0.60 -4.94 118.33 104.03 1de4 n VAL 397 Ca 0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.13 1de4 n VAL 397 Cb 0.35 -0.94 -0.11 0.00 -0.91 0.00 0.00 33.84 32.23 1de4 n VAL 397 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1de4 n GLU 398 N -2.68 0.91 0.24 5.55 1.02 0.78 -4.95 120.64 121.52 1de4 n GLU 398 Ca 0.00 -3.75 0.11 0.00 -0.02 0.00 0.00 57.16 53.51 1de4 n GLU 398 Cb 0.27 -1.93 0.54 0.00 -0.02 0.00 0.00 31.44 30.30 1de4 n GLU 398 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1de4 h PRO 399 N 5.50 0.00 0.00 3.49 0.11 -1.75 -2.96 132.00 136.39 1de4 h PRO 399 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1de4 h PRO 399 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1de4 h PRO 399 CO 0.52 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1de4 n ASP 400 N -3.41 0.50 -4.67 -2.05 5.75 -1.26 -4.17 116.55 107.24 1de4 n ASP 400 Ca -0.00 0.68 -0.32 0.00 -0.01 0.00 0.00 54.79 55.13 1de4 n ASP 400 Cb 0.38 -0.76 -0.09 0.00 -1.03 0.00 0.00 41.12 39.61 1de4 n ASP 400 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1de4 s HIS 401 N -3.36 3.03 0.20 2.11 3.76 -1.12 -4.76 115.29 115.16 1de4 s HIS 401 Ca 0.01 0.04 -0.23 0.00 -0.15 0.00 0.00 55.06 54.73 1de4 s HIS 401 Cb 0.07 -1.63 0.05 0.00 1.11 0.00 0.00 32.58 32.17 1de4 s HIS 401 CO 0.26 0.45 0.76 1.52 -0.85 0.00 0.00 174.74 176.88 1de4 s TYR 402 N -1.12 -0.27 0.08 1.40 -0.85 -0.35 -1.48 117.35 114.76 1de4 s TYR 402 Ca 0.20 -0.07 0.04 0.00 -0.52 0.00 0.00 57.07 56.72 1de4 s TYR 402 Cb -0.11 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 1de4 s TYR 402 CO 0.11 -1.00 0.05 0.08 -1.52 0.00 0.00 175.55 173.27 1de4 s VAL 403 N -3.67 4.34 -0.08 -3.49 1.01 -0.72 -1.25 120.40 116.54 1de4 s VAL 403 Ca 0.09 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1de4 s VAL 403 Cb -0.03 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1de4 s VAL 403 CO 0.00 0.12 -0.20 -0.69 0.00 0.00 0.00 175.10 174.34 1de4 s VAL 404 N -1.36 1.72 -0.11 2.92 1.01 -0.35 -0.66 120.40 123.58 1de4 s VAL 404 Ca 0.28 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1de4 s VAL 404 Cb -0.12 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.77 1de4 s VAL 404 CO 0.21 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 174.93 1de4 s VAL 405 N 0.38 1.61 0.20 2.92 1.01 0.43 -0.63 120.40 126.33 1de4 s VAL 405 Ca -0.15 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1de4 s VAL 405 Cb -0.17 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1de4 s VAL 405 CO 0.06 0.46 0.22 -0.83 0.00 0.00 0.00 175.10 175.02 1de4 s GLY 406 N 0.82 1.12 -0.11 4.51 0.00 -0.46 -0.68 107.32 112.52 1de4 s GLY 406 Ca -0.10 -1.43 -0.22 0.00 0.00 0.00 0.00 44.72 42.97 1de4 s GLY 406 CO 0.01 -1.17 0.54 0.00 0.00 0.00 0.00 173.10 172.48 1de4 s ALA 407 N -4.10 -1.37 0.24 3.20 0.00 -0.78 -1.01 121.76 117.93 1de4 s ALA 407 Ca 0.32 1.20 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 1de4 s ALA 407 Cb 0.05 -0.38 -0.09 0.00 0.00 0.00 0.00 23.12 22.70 1de4 s ALA 407 CO 0.10 -0.30 1.19 -1.14 0.00 0.00 0.00 175.76 175.61 1de4 s GLN 408 N -0.57 4.51 -0.16 0.00 0.74 -1.26 -1.58 119.66 121.33 1de4 s GLN 408 Ca -0.07 1.92 0.07 0.00 0.05 0.00 0.00 55.36 57.34 1de4 s GLN 408 Cb -0.03 -3.19 -0.15 0.00 1.10 0.00 0.00 33.01 30.74 1de4 s GLN 408 CO 0.05 -0.03 -0.06 -2.13 -0.55 0.00 0.00 175.29 172.58 1de4 n ARG 409 N 1.85 1.06 -1.49 1.67 0.63 0.11 -4.37 116.66 116.13 1de4 n ARG 409 Ca 0.02 0.05 -0.30 0.00 -0.92 0.00 0.00 57.85 56.70 1de4 n ARG 409 Cb 0.44 -1.37 0.08 0.00 0.45 0.00 0.00 32.46 32.06 1de4 n ARG 409 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1de4 s ASP 410 N -5.28 4.70 -0.15 6.15 -4.77 -1.26 -4.87 116.67 111.20 1de4 s ASP 410 Ca -0.16 1.50 -0.29 0.00 -3.30 0.00 0.00 52.55 50.30 1de4 s ASP 410 Cb 0.05 -2.28 0.11 0.00 -1.09 0.00 0.00 42.92 39.71 1de4 s ASP 410 CO 0.51 -1.86 0.90 0.00 0.70 0.00 0.00 175.17 175.42 1de4 s ALA 411 N -3.06 -1.89 -0.03 2.11 0.00 0.56 -4.70 121.76 114.76 1de4 s ALA 411 Ca 0.60 1.57 -0.25 0.00 0.00 0.00 0.00 51.96 53.89 1de4 s ALA 411 Cb -0.15 -0.63 -0.21 0.00 0.00 0.00 0.00 23.12 22.13 1de4 s ALA 411 CO 0.55 -0.32 1.17 2.35 0.00 0.00 0.00 175.76 179.51 1de4 h TRP 412 N 3.01 0.14 0.00 0.00 7.01 -1.94 -2.30 115.95 121.88 1de4 h TRP 412 Ca -0.22 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.72 1de4 h TRP 412 Cb 1.16 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.19 1de4 h TRP 412 CO 0.32 0.70 0.00 0.41 -2.79 0.00 0.00 178.44 177.09 1de4 n GLY 413 N 0.58 0.83 0.11 2.65 0.00 -1.26 -4.60 105.19 103.49 1de4 n GLY 413 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1de4 n GLY 413 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1de4 h PRO 414 N 0.00 0.13 -5.10 1.61 0.11 -1.73 -3.23 132.00 123.80 1de4 h PRO 414 Ca 0.00 -0.15 -0.39 0.00 0.11 0.00 0.00 66.00 65.57 1de4 h PRO 414 Cb 0.00 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 1de4 h PRO 414 CO 0.00 0.93 -0.57 0.41 -0.21 0.00 0.00 178.00 178.55 1de4 n GLY 415 N 0.91 -0.50 0.44 -0.55 0.00 -1.00 -4.77 105.19 99.71 1de4 n GLY 415 Ca -0.03 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 1de4 n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1de4 h ALA 416 N 0.98 -1.00 -0.13 4.61 0.00 -1.45 0.69 119.26 122.96 1de4 h ALA 416 Ca -0.47 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.09 1de4 h ALA 416 Cb 1.32 0.80 0.01 0.00 0.00 0.00 0.00 17.79 19.92 1de4 h ALA 416 CO 0.54 -1.09 -0.81 0.00 0.00 0.00 0.00 179.25 177.89 1de4 h ALA 417 N -0.76 0.30 -0.00 0.00 0.00 -1.88 0.18 119.26 117.10 1de4 h ALA 417 Ca -0.02 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 1de4 h ALA 417 Cb 0.71 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1de4 h ALA 417 CO -0.20 0.69 -0.64 -0.22 0.00 0.00 0.00 179.25 178.88 1de4 h LYS 418 N 0.51 0.02 0.00 0.00 3.64 -1.91 -3.33 116.57 115.50 1de4 h LYS 418 Ca -0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1de4 h LYS 418 Cb 1.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1de4 h LYS 418 CO 0.17 0.65 -0.68 0.45 -2.27 0.00 0.00 179.45 177.76 1de4 n SER 419 N -3.79 1.04 0.08 4.20 2.88 0.22 -4.31 113.62 113.95 1de4 n SER 419 Ca -0.01 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.46 1de4 n SER 419 Cb 0.63 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.05 1de4 n SER 419 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1de4 h GLY 420 N 0.00 -1.08 -0.35 0.46 0.00 0.15 -1.17 103.07 101.09 1de4 h GLY 420 Ca 0.00 0.50 0.14 0.00 0.00 0.00 0.00 47.33 47.98 1de4 h GLY 420 CO 0.00 -0.35 -0.14 -2.08 0.00 0.00 0.00 176.54 173.97 1de4 h VAL 421 N -0.37 0.33 0.56 4.60 2.07 -1.26 0.49 116.25 122.66 1de4 h VAL 421 Ca -0.01 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1de4 h VAL 421 Cb 0.34 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1de4 h VAL 421 CO -0.08 0.00 -0.48 1.23 0.02 0.00 0.00 177.57 178.27 1de4 h GLY 422 N 0.02 -1.21 1.05 2.17 0.00 -1.69 0.11 103.07 103.52 1de4 h GLY 422 Ca 0.34 0.55 0.08 0.00 0.00 0.00 0.00 47.33 48.29 1de4 h GLY 422 CO -0.69 -0.38 0.44 -0.84 0.00 0.00 0.00 176.54 175.07 1de4 h THR 423 N -1.02 0.97 -0.04 4.70 2.02 -0.30 -0.16 112.91 119.09 1de4 h THR 423 Ca -0.07 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1de4 h THR 423 Cb 0.87 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1de4 h THR 423 CO -0.02 0.11 0.02 0.00 0.37 0.00 0.00 175.52 176.00 1de4 h ALA 424 N 1.65 0.05 -0.82 6.16 0.00 0.50 -1.27 119.26 125.53 1de4 h ALA 424 Ca 0.30 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1de4 h ALA 424 Cb 0.36 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1de4 h ALA 424 CO -0.10 -0.40 0.49 -0.07 0.00 0.00 0.00 179.25 179.18 1de4 h LEU 425 N -0.05 0.74 -0.16 0.00 3.38 0.58 -1.51 115.31 118.28 1de4 h LEU 425 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1de4 h LEU 425 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1de4 h LEU 425 CO -0.00 0.46 0.11 0.25 0.09 0.00 0.00 178.44 179.34 1de4 h LEU 426 N 0.87 0.19 0.25 1.67 5.85 -0.72 -0.36 115.31 123.06 1de4 h LEU 426 Ca 0.37 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1de4 h LEU 426 Cb 0.23 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1de4 h LEU 426 CO -0.20 0.15 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.76 1de4 h LEU 427 N 0.21 -0.59 0.25 2.25 3.38 -0.68 -1.39 115.31 118.73 1de4 h LEU 427 Ca 0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1de4 h LEU 427 Cb -0.01 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1de4 h LEU 427 CO -0.01 -0.34 -0.28 0.11 0.09 0.00 0.00 178.44 178.02 1de4 h LYS 428 N -0.50 -0.55 -0.66 1.13 1.79 -1.17 -1.88 116.57 114.73 1de4 h LYS 428 Ca -0.01 0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.63 1de4 h LYS 428 Cb 0.45 0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 31.13 1de4 h LYS 428 CO -0.04 -0.36 0.13 -0.07 -1.08 0.00 0.00 179.45 178.03 1de4 h LEU 429 N -0.57 -0.04 -1.76 2.94 3.38 -1.00 0.33 115.31 118.60 1de4 h LEU 429 Ca -0.00 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1de4 h LEU 429 Cb 0.53 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1de4 h LEU 429 CO -0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 178.44 178.40 1de4 h ALA 430 N 1.55 1.81 0.22 1.53 0.00 -0.94 -1.80 119.26 121.62 1de4 h ALA 430 Ca 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1de4 h ALA 430 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1de4 h ALA 430 CO -0.47 0.15 -0.10 0.37 0.00 0.00 0.00 179.25 179.20 1de4 h GLN 431 N 0.12 -0.28 -0.90 0.00 4.15 0.35 -2.83 115.11 115.73 1de4 h GLN 431 Ca 0.03 0.02 0.24 0.00 0.77 0.00 0.00 58.65 59.71 1de4 h GLN 431 Cb 0.12 0.06 -0.14 0.00 0.21 0.00 0.00 27.48 27.74 1de4 h GLN 431 CO 0.00 -0.19 0.31 0.52 -1.93 0.00 0.00 178.83 177.55 1de4 h MET 432 N -0.71 0.25 0.00 1.69 2.86 -0.77 0.46 114.93 118.70 1de4 h MET 432 Ca -0.03 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1de4 h MET 432 Cb 0.22 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 1de4 h MET 432 CO 0.05 0.17 -0.14 0.74 1.06 0.00 0.00 176.91 178.78 1de4 h PHE 433 N 0.26 0.00 -0.12 -0.22 -1.00 -1.44 -1.11 116.94 113.31 1de4 h PHE 433 Ca 0.58 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 61.22 1de4 h PHE 433 Cb 1.19 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.75 1de4 h PHE 433 CO -0.21 0.14 -0.47 1.03 -1.61 0.00 0.00 178.31 177.20 1de4 h SER 434 N 0.00 0.61 0.36 2.17 0.87 0.14 -2.44 113.55 115.26 1de4 h SER 434 Ca -0.00 -0.62 -0.02 0.00 -1.23 0.00 0.00 61.79 59.92 1de4 h SER 434 Cb 0.78 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1de4 h SER 434 CO 0.02 1.13 -0.17 0.44 -0.53 0.00 0.00 176.83 177.72 1de4 h ASP 435 N 0.13 -0.41 -0.87 6.23 3.32 -1.12 0.13 116.42 123.83 1de4 h ASP 435 Ca -0.03 0.01 0.36 0.00 0.02 0.00 0.00 57.03 57.40 1de4 h ASP 435 Cb 1.10 0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.61 1de4 h ASP 435 CO 0.10 -0.29 0.48 0.23 -1.72 0.00 0.00 179.24 178.04 1de4 n MET 436 N -3.33 -0.05 0.00 3.56 2.81 -0.44 0.19 117.12 119.87 1de4 n MET 436 Ca -0.06 1.15 -0.17 0.00 -1.81 0.00 0.00 57.70 56.80 1de4 n MET 436 Cb 0.19 -2.08 -0.12 0.00 -0.71 0.00 0.00 33.22 30.50 1de4 n MET 436 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1de4 h VAL 437 N 0.00 1.50 0.02 2.03 2.07 -1.13 0.70 116.25 121.44 1de4 h VAL 437 Ca 0.72 -2.19 -0.23 0.00 0.82 0.00 0.00 66.70 65.82 1de4 h VAL 437 Cb 1.93 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 34.53 1de4 h VAL 437 CO -0.62 0.62 -1.08 -0.07 0.02 0.00 0.00 177.57 176.44 1de4 h LEU 438 N -0.33 0.07 0.00 2.57 3.38 0.31 -3.35 115.31 117.96 1de4 h LEU 438 Ca -0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1de4 h LEU 438 Cb 1.31 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1de4 h LEU 438 CO 0.10 1.06 0.00 0.29 0.09 0.00 0.00 178.44 179.99 1de4 n LYS 439 N -3.37 0.00 0.00 1.13 5.02 0.50 -4.65 118.16 116.80 1de4 n LYS 439 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1de4 n LYS 439 Cb 0.96 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.95 1de4 n LYS 439 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1de4 n ASP 440 N -1.47 0.00 -3.67 4.39 8.00 -1.19 -4.77 116.55 117.84 1de4 n ASP 440 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1de4 n ASP 440 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 1de4 n ASP 440 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de4 n GLY 441 N -0.66 -0.53 3.76 0.44 0.00 -0.64 -4.94 105.19 102.62 1de4 n GLY 441 Ca 0.00 0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1de4 n GLY 441 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1de4 s PHE 442 N -3.32 3.63 -0.47 1.61 5.36 0.23 -4.82 117.98 120.20 1de4 s PHE 442 Ca 0.59 1.75 0.05 0.00 -0.96 0.00 0.00 56.93 58.36 1de4 s PHE 442 Cb -0.27 -3.18 0.19 0.00 -0.34 0.00 0.00 43.02 39.42 1de4 s PHE 442 CO 0.75 -0.30 0.43 1.04 -1.46 0.00 0.00 175.22 175.68 1de4 n GLN 443 N 1.05 0.74 -1.76 10.12 6.02 -1.26 -4.41 117.38 127.88 1de4 n GLN 443 Ca -0.00 -3.51 -0.42 0.00 -0.01 0.00 0.00 57.00 53.06 1de4 n GLN 443 Cb 0.46 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 29.98 1de4 n GLN 443 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1de4 s PRO 444 N -0.64 4.13 0.32 -1.09 0.04 -1.26 -4.74 135.00 131.75 1de4 s PRO 444 Ca 0.33 2.58 0.06 0.00 0.04 0.00 0.00 61.00 64.00 1de4 s PRO 444 Cb 0.06 -3.07 0.53 0.00 0.04 0.00 0.00 34.50 32.06 1de4 s PRO 444 CO -0.16 -0.71 1.77 0.77 0.04 0.00 0.00 177.00 178.71 1de4 h SER 445 N 6.29 0.33 -2.14 6.66 0.02 -1.08 0.75 113.55 124.38 1de4 h SER 445 Ca -0.44 -0.11 -0.57 0.00 -0.84 0.00 0.00 61.79 59.83 1de4 h SER 445 Cb 1.21 -0.09 -0.11 0.00 0.14 0.00 0.00 62.40 63.55 1de4 h SER 445 CO 0.91 0.60 -0.66 -0.13 -1.14 0.00 0.00 176.83 176.41 1de4 s ARG 446 N -4.44 2.11 0.75 3.45 0.52 -1.23 -0.15 118.95 119.95 1de4 s ARG 446 Ca -0.06 -1.57 -0.11 0.00 -0.52 0.00 0.00 55.73 53.47 1de4 s ARG 446 Cb 0.14 -2.02 0.04 0.00 0.52 0.00 0.00 34.95 33.63 1de4 s ARG 446 CO 0.77 0.30 1.10 -1.12 0.02 0.00 0.00 175.30 176.37 1de4 s SER 447 N -3.65 4.96 -0.07 0.23 0.01 -0.55 -4.06 113.70 110.57 1de4 s SER 447 Ca 0.32 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1de4 s SER 447 Cb -0.05 -1.99 0.02 0.00 0.21 0.00 0.00 66.02 64.22 1de4 s SER 447 CO 0.19 -1.66 -0.05 -0.63 0.41 0.00 0.00 173.24 171.49 1de4 s ILE 448 N -3.26 0.71 -0.13 1.44 1.01 -0.87 -1.75 121.20 118.35 1de4 s ILE 448 Ca 0.59 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 61.06 1de4 s ILE 448 Cb -0.13 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1de4 s ILE 448 CO 0.53 0.29 -0.04 -0.63 0.00 0.00 0.00 174.94 175.09 1de4 s ILE 449 N 1.28 3.90 -0.18 2.92 1.01 0.17 -0.63 121.20 129.67 1de4 s ILE 449 Ca -0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 1de4 s ILE 449 Cb -0.14 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 1de4 s ILE 449 CO -0.02 0.52 -0.05 -0.36 0.00 0.00 0.00 174.94 175.03 1de4 s PHE 450 N 0.03 2.96 -0.03 3.97 0.40 0.36 -0.43 117.98 125.24 1de4 s PHE 450 Ca 0.00 -0.62 0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1de4 s PHE 450 Cb -0.13 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.39 1de4 s PHE 450 CO 0.03 -0.29 -0.11 0.00 0.70 0.00 0.00 175.22 175.55 1de4 s ALA 451 N 0.88 1.04 -0.33 5.36 0.00 0.14 -0.10 121.76 128.76 1de4 s ALA 451 Ca -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 1de4 s ALA 451 Cb -0.15 -0.38 0.06 0.00 0.00 0.00 0.00 23.12 22.65 1de4 s ALA 451 CO 0.01 0.16 0.07 0.45 0.00 0.00 0.00 175.76 176.45 1de4 s SER 452 N 0.22 5.05 0.31 0.00 0.15 0.08 -1.86 113.70 117.64 1de4 s SER 452 Ca -0.04 -1.46 0.03 0.00 0.70 0.00 0.00 55.95 55.18 1de4 s SER 452 Cb -0.10 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.42 1de4 s SER 452 CO 0.01 -0.34 0.47 0.26 1.20 0.00 0.00 173.24 174.83 1de4 s TRP 453 N 1.24 3.43 0.36 3.44 0.52 -0.62 -1.92 118.94 125.39 1de4 s TRP 453 Ca -0.01 0.13 0.06 0.00 0.02 0.00 0.00 56.10 56.31 1de4 s TRP 453 Cb -0.20 -1.79 -0.07 0.00 -1.15 0.00 0.00 33.47 30.26 1de4 s TRP 453 CO -0.01 0.22 -0.00 0.45 0.02 0.00 0.00 176.95 177.62 1de4 s SER 454 N -4.04 3.26 -1.25 2.95 0.15 -1.26 0.09 113.70 113.61 1de4 s SER 454 Ca 0.38 -1.32 -0.03 0.00 0.70 0.00 0.00 55.95 55.69 1de4 s SER 454 Cb -0.09 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1de4 s SER 454 CO 0.33 -0.44 0.33 0.00 1.20 0.00 0.00 173.24 174.66 1de4 n ALA 455 N -0.80 -0.67 0.08 5.45 0.00 -1.26 -1.14 120.51 122.18 1de4 n ALA 455 Ca -0.04 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 1de4 n ALA 455 Cb 0.66 -2.74 -0.04 0.00 0.00 0.00 0.00 19.45 17.33 1de4 n ALA 455 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1de4 h GLY 456 N -0.76 0.23 2.00 0.00 0.00 -1.88 -1.65 103.07 101.01 1de4 h GLY 456 Ca -0.40 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1de4 h GLY 456 CO 0.44 0.39 0.00 -0.55 0.00 0.00 0.00 176.54 176.82 1de4 h ASP 457 N 0.10 0.00 -0.70 0.19 3.32 -1.91 -0.45 116.42 116.97 1de4 h ASP 457 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1de4 h ASP 457 Cb 1.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.16 1de4 h ASP 457 CO 0.15 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.16 1de4 n PHE 458 N -2.92 1.06 0.00 4.55 3.01 -1.18 -4.39 117.46 117.59 1de4 n PHE 458 Ca -0.02 -0.52 0.00 0.00 1.01 0.00 0.00 57.45 57.91 1de4 n PHE 458 Cb 0.10 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1de4 n PHE 458 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1de4 n GLY 459 N 1.49 0.81 4.07 1.37 0.00 -0.24 -4.71 105.19 107.99 1de4 n GLY 459 Ca 0.24 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1de4 n GLY 459 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1de4 n SER 460 N 0.00 -1.81 0.19 1.61 7.64 -0.83 -0.94 113.62 119.48 1de4 n SER 460 Ca 0.00 -1.00 -0.14 0.00 1.01 0.00 0.00 58.87 58.74 1de4 n SER 460 Cb 0.00 -2.95 -0.08 0.00 -1.01 0.00 0.00 64.21 60.17 1de4 n SER 460 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1de4 h VAL 461 N -1.72 0.65 -0.31 0.44 2.07 -1.50 -0.60 116.25 115.28 1de4 h VAL 461 Ca -0.61 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1de4 h VAL 461 Cb 1.38 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 1de4 h VAL 461 CO 0.69 0.07 -0.13 1.23 0.02 0.00 0.00 177.57 179.45 1de4 h GLY 462 N -0.68 0.14 1.00 2.17 0.00 -1.29 0.41 103.07 104.82 1de4 h GLY 462 Ca -0.05 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1de4 h GLY 462 CO 0.08 -0.16 0.39 0.00 0.00 0.00 0.00 176.54 176.86 1de4 h ALA 463 N 1.19 0.78 -0.57 3.60 0.00 -1.78 -1.82 119.26 120.66 1de4 h ALA 463 Ca 0.16 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1de4 h ALA 463 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1de4 h ALA 463 CO -0.37 0.24 0.06 1.15 0.00 0.00 0.00 179.25 180.33 1de4 h THR 464 N 0.84 1.26 -0.42 0.00 2.02 -0.52 -1.77 112.91 114.32 1de4 h THR 464 Ca 0.22 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1de4 h THR 464 Cb -0.06 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1de4 h THR 464 CO -0.05 0.38 0.16 -0.33 0.37 0.00 0.00 175.52 176.05 1de4 h GLU 465 N 0.87 0.60 0.24 6.66 4.39 -0.68 -0.11 114.58 126.54 1de4 h GLU 465 Ca 0.17 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1de4 h GLU 465 Cb 0.47 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1de4 h GLU 465 CO 0.02 0.51 -0.11 2.35 -1.16 0.00 0.00 179.01 180.61 1de4 h TRP 466 N 0.60 -0.29 -0.89 4.33 7.01 -0.88 0.17 115.95 125.99 1de4 h TRP 466 Ca 0.15 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.20 1de4 h TRP 466 Cb 0.14 0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.24 1de4 h TRP 466 CO 0.01 -0.01 0.58 -0.07 -2.79 0.00 0.00 178.44 176.15 1de4 h LEU 467 N -0.56 0.89 -0.22 0.65 3.38 -0.78 0.17 115.31 118.85 1de4 h LEU 467 Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 1de4 h LEU 467 Cb 0.41 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1de4 h LEU 467 CO 0.05 0.58 -0.91 -0.33 0.09 0.00 0.00 178.44 177.93 1de4 h GLU 468 N 1.02 0.06 0.09 1.13 5.08 -0.96 -2.45 114.58 118.56 1de4 h GLU 468 Ca 0.38 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1de4 h GLU 468 Cb 0.17 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1de4 h GLU 468 CO -0.14 0.92 -0.04 0.78 -1.00 0.00 0.00 179.01 179.53 1de4 h GLY 469 N 2.40 -0.13 -3.71 -3.84 0.00 0.38 -3.35 103.07 94.82 1de4 h GLY 469 Ca -0.03 0.05 -0.46 0.00 0.00 0.00 0.00 47.33 46.89 1de4 h GLY 469 CO 0.13 -0.05 0.54 -1.72 0.00 0.00 0.00 176.54 175.44 1de4 n TYR 470 N -4.89 2.77 -0.22 5.60 4.02 0.50 -4.74 117.16 120.21 1de4 n TYR 470 Ca -0.08 -1.79 -0.10 0.00 -0.01 0.00 0.00 57.90 55.92 1de4 n TYR 470 Cb 0.27 -0.87 -0.08 0.00 -0.02 0.00 0.00 39.34 38.64 1de4 n TYR 470 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1de4 h LEU 471 N 1.07 -1.56 -2.17 7.72 5.85 -1.56 0.03 115.31 124.69 1de4 h LEU 471 Ca 0.57 0.22 0.06 0.00 0.84 0.00 0.00 57.88 59.57 1de4 h LEU 471 Cb 2.69 0.67 -0.01 0.00 0.37 0.00 0.00 40.66 44.37 1de4 h LEU 471 CO 0.99 -0.24 0.28 0.77 -0.34 0.00 0.00 178.44 179.90 1de4 h SER 472 N -0.15 0.00 1.11 1.25 4.64 -1.88 -1.01 113.55 117.50 1de4 h SER 472 Ca 0.09 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.30 1de4 h SER 472 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 1de4 h SER 472 CO -0.59 0.00 -0.94 0.28 -0.87 0.00 0.00 176.83 174.71 1de4 h SER 473 N 0.00 0.00 0.56 4.97 0.02 -1.38 -3.34 113.55 114.37 1de4 h SER 473 Ca 0.10 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.84 1de4 h SER 473 Cb 0.65 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1de4 h SER 473 CO -0.00 0.44 -1.60 0.18 -1.14 0.00 0.00 176.83 174.71 1de4 n LEU 474 N -3.00 0.76 -4.38 5.07 4.32 -0.46 -4.70 117.00 114.60 1de4 n LEU 474 Ca -0.03 0.34 -0.56 0.00 -0.02 0.00 0.00 56.01 55.74 1de4 n LEU 474 Cb 0.74 0.13 -0.09 0.00 -1.62 0.00 0.00 43.42 42.58 1de4 n LEU 474 CO 0.41 0.23 1.72 1.57 -1.22 0.00 0.00 177.39 180.10 1de4 n HIS 475 N -2.89 1.43 -1.25 -1.77 -0.00 -0.72 0.10 115.22 110.11 1de4 n HIS 475 Ca -0.13 0.55 -0.09 0.00 0.46 0.00 0.00 57.72 58.51 1de4 n HIS 475 Cb 0.91 -2.41 -0.04 0.00 -0.12 0.00 0.00 29.99 28.34 1de4 n HIS 475 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1de4 n LEU 476 N 8.31 -0.27 -0.04 0.27 4.77 -1.26 -4.78 117.00 124.00 1de4 n LEU 476 Ca 0.46 0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 56.57 1de4 n LEU 476 Cb 0.09 -2.21 -0.03 0.00 -2.33 0.00 0.00 43.42 38.94 1de4 n LEU 476 CO 0.82 -0.82 -0.78 0.29 -1.33 0.00 0.00 177.39 175.58 1de4 n LYS 477 N -1.29 0.17 -2.75 3.23 4.76 0.11 -4.91 118.16 117.49 1de4 n LYS 477 Ca -0.09 0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 1de4 n LYS 477 Cb 0.47 -0.82 -0.03 0.00 -1.84 0.00 0.00 35.03 32.81 1de4 n LYS 477 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1de4 s ALA 478 N -2.15 3.62 -1.07 7.82 0.00 -0.55 -1.21 121.76 128.21 1de4 s ALA 478 Ca -0.11 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 51.92 1de4 s ALA 478 Cb 0.04 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.72 1de4 s ALA 478 CO 0.15 -1.14 0.72 1.97 0.00 0.00 0.00 175.76 177.45 1de4 n PHE 479 N 6.35 0.00 -3.61 0.00 1.16 -0.38 -4.85 117.46 116.14 1de4 n PHE 479 Ca 0.09 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.57 1de4 n PHE 479 Cb 0.47 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.27 1de4 n PHE 479 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1de4 s THR 480 N -1.10 0.00 -0.03 1.97 2.01 -1.26 -4.15 115.64 113.08 1de4 s THR 480 Ca 0.10 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1de4 s THR 480 Cb 0.08 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 1de4 s THR 480 CO 0.19 0.00 -0.19 -0.47 -0.69 0.00 0.00 174.62 173.46 1de4 s TYR 481 N -0.23 1.79 -0.13 4.92 5.04 -0.04 -1.21 117.35 127.49 1de4 s TYR 481 Ca 0.00 -0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.23 1de4 s TYR 481 Cb -0.03 -1.17 0.02 0.00 0.35 0.00 0.00 41.96 41.13 1de4 s TYR 481 CO -0.02 -0.09 -0.15 0.42 -1.34 0.00 0.00 175.55 174.37 1de4 s ILE 482 N -0.27 1.56 -0.09 3.14 1.01 0.20 -1.52 121.20 125.23 1de4 s ILE 482 Ca 0.03 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 1de4 s ILE 482 Cb -0.09 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1de4 s ILE 482 CO 0.01 0.46 0.19 0.21 0.00 0.00 0.00 174.94 175.80 1de4 s ASN 483 N 1.29 6.46 0.00 3.58 3.84 -0.63 -1.35 114.94 128.12 1de4 s ASN 483 Ca 0.01 0.54 0.09 0.00 0.21 0.00 0.00 52.86 53.71 1de4 s ASN 483 Cb -0.14 -2.09 0.05 0.00 -0.55 0.00 0.00 41.25 38.53 1de4 s ASN 483 CO -0.07 0.38 0.75 0.18 -2.79 0.00 0.00 177.10 175.55 1de4 n LEU 484 N 1.85 1.62 -4.76 3.21 4.77 -0.18 -4.49 117.00 119.02 1de4 n LEU 484 Ca -0.18 -0.94 -0.39 0.00 -0.03 0.00 0.00 56.01 54.47 1de4 n LEU 484 Cb 0.54 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1de4 n LEU 484 CO 0.33 0.32 1.03 -1.81 -1.33 0.00 0.00 177.39 175.93 1de4 s ASP 485 N -0.93 5.87 -1.69 -1.43 1.01 -1.26 -3.10 116.67 115.14 1de4 s ASP 485 Ca 0.10 2.82 -0.15 0.00 0.71 0.00 0.00 52.55 56.04 1de4 s ASP 485 Cb 0.08 -2.65 0.13 0.00 1.01 0.00 0.00 42.92 41.50 1de4 s ASP 485 CO 0.15 -1.17 0.58 0.29 0.21 0.00 0.00 175.17 175.23 1de4 n LYS 486 N -0.28 -2.26 0.20 8.23 5.02 -1.25 -4.83 118.16 122.98 1de4 n LYS 486 Ca 0.06 0.28 0.08 0.00 -2.02 0.00 0.00 58.31 56.71 1de4 n LYS 486 Cb 0.43 -4.71 0.34 0.00 -0.02 0.00 0.00 35.03 31.07 1de4 n LYS 486 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1de4 h ALA 487 N 0.88 0.94 -3.45 7.82 0.00 -1.74 -3.42 119.26 120.29 1de4 h ALA 487 Ca -0.61 -0.25 -0.57 0.00 0.00 0.00 0.00 54.91 53.48 1de4 h ALA 487 Cb 1.39 -0.04 -0.38 0.00 0.00 0.00 0.00 17.79 18.75 1de4 h ALA 487 CO 0.78 0.35 -0.78 0.08 0.00 0.00 0.00 179.25 179.67 1de4 s VAL 488 N -3.47 1.19 0.00 0.00 1.01 -1.26 -0.86 120.40 117.01 1de4 s VAL 488 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1de4 s VAL 488 Cb 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1de4 s VAL 488 CO 0.66 -0.03 0.04 0.18 0.00 0.00 0.00 175.10 175.95 1de4 n LEU 489 N 4.82 0.08 0.00 3.92 4.77 0.87 -4.94 117.00 126.52 1de4 n LEU 489 Ca -0.11 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1de4 n LEU 489 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1de4 n LEU 489 CO 0.17 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1de4 n GLY 490 N 0.19 1.89 0.00 -0.72 0.00 0.49 -4.53 105.19 102.52 1de4 n GLY 490 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1de4 n GLY 490 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1de4 n THR 491 N 0.00 0.00 -0.23 2.61 -1.04 -1.25 -4.34 114.28 110.03 1de4 n THR 491 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1de4 n THR 491 Cb 0.00 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1de4 n THR 491 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1de4 h SER 492 N 0.00 -1.24 -1.69 8.00 0.02 -1.94 -3.44 113.55 113.26 1de4 h SER 492 Ca 0.00 0.24 -0.60 0.00 -0.84 0.00 0.00 61.79 60.59 1de4 h SER 492 Cb 0.07 0.61 -0.11 0.00 0.14 0.00 0.00 62.40 63.11 1de4 h SER 492 CO 0.00 -0.31 -0.57 0.20 -1.14 0.00 0.00 176.83 175.01 1de4 s ASN 493 N -5.19 4.08 -0.26 3.07 0.01 -0.24 -5.00 114.94 111.42 1de4 s ASN 493 Ca -0.14 -1.22 -0.02 0.00 -0.71 0.00 0.00 52.86 50.77 1de4 s ASN 493 Cb 0.16 -0.44 0.08 0.00 0.41 0.00 0.00 41.25 41.46 1de4 s ASN 493 CO 0.69 -0.44 0.07 0.12 -1.51 0.00 0.00 177.10 176.03 1de4 s PHE 494 N -2.64 1.26 0.27 2.20 5.36 -1.25 -1.21 117.98 121.97 1de4 s PHE 494 Ca 0.37 -1.26 0.06 0.00 -0.96 0.00 0.00 56.93 55.14 1de4 s PHE 494 Cb 0.06 -1.31 -0.03 0.00 -0.34 0.00 0.00 43.02 41.40 1de4 s PHE 494 CO 0.20 -0.76 0.33 0.15 -1.46 0.00 0.00 175.22 173.67 1de4 s LYS 495 N 1.78 3.15 -0.15 10.12 3.01 -0.52 -4.94 119.74 132.18 1de4 s LYS 495 Ca 0.05 -0.96 -0.13 0.00 -1.01 0.00 0.00 55.97 53.92 1de4 s LYS 495 Cb -0.17 -2.73 0.04 0.00 -1.01 0.00 0.00 37.83 33.95 1de4 s LYS 495 CO -0.19 0.31 0.38 0.08 0.51 0.00 0.00 175.35 176.44 1de4 s VAL 496 N -2.10 -0.00 -0.06 3.17 1.01 -1.26 -1.83 120.40 119.33 1de4 s VAL 496 Ca 0.37 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1de4 s VAL 496 Cb -0.08 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1de4 s VAL 496 CO 0.28 0.00 -0.03 -0.44 0.00 0.00 0.00 175.10 174.92 1de4 s SER 497 N 0.31 1.22 0.02 3.32 0.01 -0.08 -4.26 113.70 114.24 1de4 s SER 497 Ca -0.01 -0.12 -0.29 0.00 1.31 0.00 0.00 55.95 56.84 1de4 s SER 497 Cb -0.03 -0.46 0.11 0.00 0.21 0.00 0.00 66.02 65.85 1de4 s SER 497 CO -0.01 -0.11 1.23 0.00 0.41 0.00 0.00 173.24 174.76 1de4 s ALA 498 N 1.35 -2.16 0.50 1.44 0.00 -1.26 -0.48 121.76 121.16 1de4 s ALA 498 Ca -0.04 0.49 -0.23 0.00 0.00 0.00 0.00 51.96 52.18 1de4 s ALA 498 Cb -0.13 0.48 -0.06 0.00 0.00 0.00 0.00 23.12 23.40 1de4 s ALA 498 CO -0.02 -1.07 1.35 0.45 0.00 0.00 0.00 175.76 176.47 1de4 s SER 499 N -3.09 5.59 0.57 0.00 0.15 -0.59 -4.87 113.70 111.46 1de4 s SER 499 Ca 0.16 2.75 0.26 0.00 0.70 0.00 0.00 55.95 59.83 1de4 s SER 499 Cb 0.03 -2.64 1.61 0.00 -1.71 0.00 0.00 66.02 63.31 1de4 s SER 499 CO -0.02 -1.35 2.14 -0.65 1.20 0.00 0.00 173.24 174.56 1de4 h PRO 500 N 1.84 0.00 0.00 5.44 0.11 -1.94 -1.20 132.00 136.25 1de4 h PRO 500 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1de4 h PRO 500 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1de4 h PRO 500 CO 0.59 0.00 0.05 -0.07 -0.21 0.00 0.00 178.00 178.36 1de4 h LEU 501 N 0.00 0.00 -2.85 2.35 3.38 -1.90 -0.67 115.31 115.62 1de4 h LEU 501 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1de4 h LEU 501 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1de4 h LEU 501 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1de4 n LEU 502 N -2.75 3.22 0.25 1.67 4.77 -0.45 -0.90 117.00 122.81 1de4 n LEU 502 Ca -0.02 -2.00 -0.15 0.00 -0.03 0.00 0.00 56.01 53.80 1de4 n LEU 502 Cb 0.11 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1de4 n LEU 502 CO 0.15 0.80 0.63 1.88 -1.33 0.00 0.00 177.39 179.52 1de4 h TYR 503 N 2.66 -0.57 -0.43 -1.77 0.05 -1.20 -0.37 116.97 115.34 1de4 h TYR 503 Ca 0.00 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.84 1de4 h TYR 503 Cb 0.81 0.19 -0.07 0.00 1.01 0.00 0.00 36.73 38.67 1de4 h TYR 503 CO 0.30 -0.29 0.03 1.15 -1.05 0.00 0.00 178.16 178.31 1de4 h THR 504 N -0.75 0.71 -0.65 -2.88 2.02 -1.83 0.44 112.91 109.96 1de4 h THR 504 Ca -0.06 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.10 1de4 h THR 504 Cb 0.54 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1de4 h THR 504 CO 0.10 0.03 0.39 0.25 0.37 0.00 0.00 175.52 176.66 1de4 h LEU 505 N 0.15 0.63 -1.03 2.58 5.85 -1.75 -0.36 115.31 121.38 1de4 h LEU 505 Ca 0.21 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1de4 h LEU 505 Cb 0.29 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1de4 h LEU 505 CO -0.32 0.43 0.20 0.40 -0.34 0.00 0.00 178.44 178.81 1de4 h ILE 506 N 0.76 1.23 0.73 4.05 2.04 0.53 -1.73 117.51 125.12 1de4 h ILE 506 Ca 0.27 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1de4 h ILE 506 Cb 0.06 0.55 0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1de4 h ILE 506 CO -0.12 0.29 -0.35 -0.08 0.00 0.00 0.00 178.15 177.89 1de4 h GLU 507 N 0.87 -0.94 -0.85 2.37 4.81 0.71 -1.11 114.58 120.44 1de4 h GLU 507 Ca 0.20 0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.66 1de4 h GLU 507 Cb 0.23 0.21 -0.10 0.00 0.63 0.00 0.00 28.75 29.72 1de4 h GLU 507 CO -0.01 -0.61 0.39 0.87 -0.73 0.00 0.00 179.01 178.93 1de4 h LYS 508 N -1.18 0.50 -0.57 1.92 1.57 -1.07 0.27 116.57 118.00 1de4 h LYS 508 Ca -0.10 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1de4 h LYS 508 Cb 0.77 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1de4 h LYS 508 CO 0.16 0.33 0.22 1.15 -0.57 0.00 0.00 179.45 180.74 1de4 h THR 509 N 0.51 1.21 0.00 -0.16 2.02 -1.18 -1.90 112.91 113.40 1de4 h THR 509 Ca 0.49 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1de4 h THR 509 Cb 0.79 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1de4 h THR 509 CO -0.43 0.26 -0.25 0.24 0.37 0.00 0.00 175.52 175.71 1de4 h MET 510 N 0.81 0.00 0.00 6.66 2.86 0.80 -2.03 114.93 124.03 1de4 h MET 510 Ca 0.19 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1de4 h MET 510 Cb 0.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1de4 h MET 510 CO -0.02 0.25 -0.08 1.96 1.06 0.00 0.00 176.91 180.08 1de4 h GLN 511 N 0.00 0.00 -0.02 1.72 4.20 -0.35 0.21 115.11 120.87 1de4 h GLN 511 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1de4 h GLN 511 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1de4 h GLN 511 CO 0.03 0.08 0.00 0.27 -0.67 0.00 0.00 178.83 178.54 1de4 n ASN 512 N -3.13 1.44 -4.63 1.46 0.23 -1.05 -4.85 115.26 104.72 1de4 n ASN 512 Ca 0.03 -1.31 -0.34 0.00 -0.53 0.00 0.00 54.58 52.43 1de4 n ASN 512 Cb 0.52 -0.01 -0.10 0.00 -2.08 0.00 0.00 39.78 38.11 1de4 n ASN 512 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1de4 s VAL 513 N -0.39 4.09 -0.11 3.53 1.01 -0.78 -5.05 120.40 122.71 1de4 s VAL 513 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1de4 s VAL 513 Cb 0.02 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1de4 s VAL 513 CO 0.03 0.59 0.03 -0.54 0.00 0.00 0.00 175.10 175.22 1de4 s LYS 514 N -0.74 3.21 0.10 2.72 1.02 -1.26 -1.72 119.74 123.07 1de4 s LYS 514 Ca 0.11 -0.35 -0.34 0.00 0.02 0.00 0.00 55.97 55.41 1de4 s LYS 514 Cb -0.11 -2.92 -0.13 0.00 -0.52 0.00 0.00 37.83 34.15 1de4 s LYS 514 CO 0.02 0.65 1.69 1.58 -0.92 0.00 0.00 175.35 178.36 1de4 n HIS 515 N 2.33 2.35 0.20 3.18 -0.00 0.84 -4.85 115.22 119.28 1de4 n HIS 515 Ca -0.19 0.15 0.10 0.00 -0.00 0.00 0.00 57.72 57.78 1de4 n HIS 515 Cb 0.54 -2.60 0.53 0.00 -0.00 0.00 0.00 29.99 28.45 1de4 n HIS 515 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1de4 h PRO 516 N 7.04 0.00 0.00 1.57 0.13 -1.89 -0.84 132.00 138.01 1de4 h PRO 516 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1de4 h PRO 516 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1de4 h PRO 516 CO 0.91 0.00 -0.78 0.28 -0.23 0.00 0.00 178.00 178.18 1de4 n VAL 517 N -2.28 0.20 0.30 1.56 0.31 -1.26 -4.73 118.33 112.42 1de4 n VAL 517 Ca -0.01 0.06 0.18 0.00 -0.01 0.00 0.00 64.34 64.56 1de4 n VAL 517 Cb 0.25 -1.45 0.95 0.00 -0.91 0.00 0.00 33.84 32.68 1de4 n VAL 517 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1de4 h THR 518 N 0.00 0.22 0.00 2.52 2.02 -1.95 -3.45 112.91 112.26 1de4 h THR 518 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1de4 h THR 518 Cb 0.78 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1de4 h THR 518 CO 0.00 0.03 0.00 0.61 0.37 0.00 0.00 175.52 176.53 1de4 n GLY 519 N -0.78 1.61 3.80 2.16 0.00 -0.32 -4.94 105.19 106.72 1de4 n GLY 519 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1de4 n GLY 519 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1de4 s GLN 520 N 0.00 1.33 0.50 1.61 -1.52 -1.26 -4.53 119.66 115.78 1de4 s GLN 520 Ca 0.00 0.30 -0.20 0.00 -1.95 0.00 0.00 55.36 53.51 1de4 s GLN 520 Cb 0.00 -1.86 -0.08 0.00 -0.22 0.00 0.00 33.01 30.85 1de4 s GLN 520 CO 0.00 -2.07 1.06 -0.06 -0.25 0.00 0.00 175.29 173.97 1de4 s PHE 521 N -3.30 2.92 0.20 0.91 2.99 -1.26 -0.11 117.98 120.33 1de4 s PHE 521 Ca 0.63 1.57 -0.08 0.00 0.00 0.00 0.00 56.93 59.05 1de4 s PHE 521 Cb -0.14 -3.13 0.12 0.00 0.00 0.00 0.00 43.02 39.86 1de4 s PHE 521 CO 0.53 -1.03 1.71 -0.07 -0.00 0.00 0.00 175.22 176.36 1de4 h LEU 522 N 1.52 1.08 -8.52 -0.37 3.38 -0.40 -3.39 115.31 108.61 1de4 h LEU 522 Ca -0.50 -0.24 -0.46 0.00 0.09 0.00 0.00 57.88 56.77 1de4 h LEU 522 Cb 1.23 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1de4 h LEU 522 CO 0.59 1.04 1.41 -0.47 0.09 0.00 0.00 178.44 181.10 1de4 s TYR 523 N -5.29 1.41 0.00 1.13 5.04 0.64 -4.62 117.35 115.66 1de4 s TYR 523 Ca -0.12 1.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 1de4 s TYR 523 Cb 0.15 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.60 1de4 s TYR 523 CO 0.85 -2.36 0.00 0.94 -1.34 0.00 0.00 175.55 173.64 1de4 n GLN 524 N 9.10 1.01 -4.21 4.97 -0.06 -1.26 -4.91 117.38 122.01 1de4 n GLN 524 Ca 0.29 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.97 1de4 n GLN 524 Cb 0.53 -0.94 -0.16 0.00 -4.06 0.00 0.00 30.24 25.61 1de4 n GLN 524 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1de4 s ASP 525 N -1.83 2.95 0.00 1.69 2.15 -1.26 -4.99 116.67 115.37 1de4 s ASP 525 Ca 0.00 -0.58 0.26 0.00 0.43 0.00 0.00 52.55 52.66 1de4 s ASP 525 Cb 0.00 -1.36 1.45 0.00 -0.30 0.00 0.00 42.92 42.71 1de4 s ASP 525 CO 0.00 -0.00 1.94 -1.54 -0.17 0.00 0.00 175.17 175.40 1de4 n SER 526 N 4.54 0.29 -0.35 -0.34 3.41 -1.26 -2.98 113.62 116.93 1de4 n SER 526 Ca -0.20 -1.26 0.03 0.00 -0.26 0.00 0.00 58.87 57.19 1de4 n SER 526 Cb 0.50 -0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.53 1de4 n SER 526 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1de4 n ASN 527 N -0.70 2.53 -0.30 4.04 3.02 -1.26 -4.73 115.26 117.87 1de4 n ASN 527 Ca 0.19 -2.06 0.12 0.00 -0.03 0.00 0.00 54.58 52.81 1de4 n ASN 527 Cb 0.14 -0.14 0.29 0.00 -0.61 0.00 0.00 39.78 39.45 1de4 n ASN 527 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1de4 h TRP 528 N 1.07 0.51 -0.65 3.10 5.08 -1.97 -1.11 115.95 121.99 1de4 h TRP 528 Ca 0.00 0.04 0.10 0.00 1.08 0.00 0.00 58.89 60.11 1de4 h TRP 528 Cb 0.66 -0.09 -0.04 0.00 -3.00 0.00 0.00 29.16 26.69 1de4 h TRP 528 CO 0.13 -0.11 0.43 0.00 -1.28 0.00 0.00 178.44 177.61 1de4 h ALA 529 N 1.73 1.96 -0.09 0.11 0.00 -1.87 -0.28 119.26 120.82 1de4 h ALA 529 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1de4 h ALA 529 Cb 1.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1de4 h ALA 529 CO -0.57 -0.10 0.00 -1.13 0.00 0.00 0.00 179.25 177.45 1de4 n SER 530 N -4.48 0.70 0.00 0.00 3.41 -0.42 -3.07 113.62 109.76 1de4 n SER 530 Ca 0.11 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 1de4 n SER 530 Cb 0.36 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1de4 n SER 530 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1de4 n LYS 531 N -0.26 1.15 -2.07 4.33 0.00 -0.13 -5.03 118.16 116.15 1de4 n LYS 531 Ca 0.12 -1.03 -0.42 0.00 0.00 0.00 0.00 58.31 56.98 1de4 n LYS 531 Cb 0.15 -0.99 -0.03 0.00 0.00 0.00 0.00 35.03 34.17 1de4 n LYS 531 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1de4 s VAL 532 N -0.53 3.27 -0.03 3.15 1.01 -1.11 -4.99 120.40 121.16 1de4 s VAL 532 Ca 0.00 0.77 -0.19 0.00 0.00 0.00 0.00 61.98 62.56 1de4 s VAL 532 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1de4 s VAL 532 CO 0.00 0.02 0.54 -0.70 0.00 0.00 0.00 175.10 174.95 1de4 s GLU 533 N 2.12 4.27 0.78 2.72 2.12 -1.26 -5.06 118.70 124.39 1de4 s GLU 533 Ca 0.68 0.61 -0.11 0.00 0.36 0.00 0.00 54.97 56.52 1de4 s GLU 533 Cb -0.37 -3.35 0.07 0.00 0.26 0.00 0.00 34.13 30.74 1de4 s GLU 533 CO 0.30 0.36 1.11 -1.59 -0.54 0.00 0.00 175.26 174.89 1de4 s LYS 534 N -0.10 2.10 0.37 4.30 -2.85 -1.26 -4.52 119.74 117.77 1de4 s LYS 534 Ca 0.29 1.27 -0.28 0.00 -1.00 0.00 0.00 55.97 56.25 1de4 s LYS 534 Cb -0.17 -1.87 -0.11 0.00 -2.06 0.00 0.00 37.83 33.62 1de4 s LYS 534 CO 0.15 -1.78 1.48 -0.51 0.10 0.00 0.00 175.35 174.79 1de4 s LEU 535 N -5.91 4.33 0.26 2.77 1.02 -1.26 -5.00 118.68 114.89 1de4 s LEU 535 Ca 0.63 3.02 0.10 0.00 0.02 0.00 0.00 54.13 57.90 1de4 s LEU 535 Cb -0.19 -3.66 -0.04 0.00 0.02 0.00 0.00 46.19 42.31 1de4 s LEU 535 CO 0.55 -0.85 -0.06 0.42 0.02 0.00 0.00 176.35 176.43 1de4 s THR 536 N -1.03 3.21 0.50 5.49 -4.23 -1.26 -4.97 115.64 113.34 1de4 s THR 536 Ca 0.53 -2.01 0.36 0.00 -1.18 0.00 0.00 61.69 59.39 1de4 s THR 536 Cb -0.46 -2.70 0.56 0.00 1.34 0.00 0.00 72.50 71.24 1de4 s THR 536 CO 0.61 -0.37 1.70 -0.07 -0.54 0.00 0.00 174.62 175.95 1de4 h LEU 537 N 2.04 0.13 -0.05 4.79 3.38 -1.95 0.24 115.31 123.88 1de4 h LEU 537 Ca -0.43 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1de4 h LEU 537 Cb 1.25 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1de4 h LEU 537 CO 0.60 -0.03 -0.01 -0.90 0.09 0.00 0.00 178.44 178.18 1de4 n ASP 538 N -4.31 0.09 -4.67 -0.43 5.75 -1.26 -4.75 116.55 106.96 1de4 n ASP 538 Ca 0.33 -0.47 -0.37 0.00 -0.01 0.00 0.00 54.79 54.27 1de4 n ASP 538 Cb 1.43 -0.17 -0.08 0.00 -1.03 0.00 0.00 41.12 41.27 1de4 n ASP 538 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1de4 s ASN 539 N -2.39 6.32 0.64 -1.12 2.47 0.84 -4.90 114.94 116.80 1de4 s ASN 539 Ca 0.34 0.37 0.32 0.00 0.42 0.00 0.00 52.86 54.31 1de4 s ASN 539 Cb 0.21 -2.18 1.77 0.00 -1.45 0.00 0.00 41.25 39.60 1de4 s ASN 539 CO 0.44 -0.01 2.05 0.00 -3.72 0.00 0.00 177.10 175.85 1de4 h ALA 540 N 7.36 1.49 0.00 1.71 0.00 -1.85 0.21 119.26 128.18 1de4 h ALA 540 Ca -0.37 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1de4 h ALA 540 Cb 1.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1de4 h ALA 540 CO 0.70 -0.31 -0.28 0.00 0.00 0.00 0.00 179.25 179.37 1de4 h ALA 541 N 1.59 0.91 -0.23 0.00 0.00 -1.91 -3.32 119.26 116.29 1de4 h ALA 541 Ca 0.05 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1de4 h ALA 541 Cb 0.56 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1de4 h ALA 541 CO -0.00 0.35 -0.06 0.35 0.00 0.00 0.00 179.25 179.89 1de4 h PHE 542 N 0.00 -0.12 -0.58 0.00 3.57 -0.80 -2.63 116.94 116.37 1de4 h PHE 542 Ca -0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1de4 h PHE 542 Cb 0.98 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 1de4 h PHE 542 CO 0.00 -0.10 0.38 -1.35 -2.23 0.00 0.00 178.31 175.01 1de4 h PRO 543 N -0.00 0.75 -0.64 6.41 0.11 -1.73 -0.29 132.00 136.61 1de4 h PRO 543 Ca 0.11 -0.05 0.11 0.00 0.11 0.00 0.00 66.00 66.28 1de4 h PRO 543 Cb 0.17 -0.17 -0.08 0.00 0.11 0.00 0.00 31.00 31.03 1de4 h PRO 543 CO -0.24 0.50 0.22 0.74 -0.21 0.00 0.00 178.00 179.01 1de4 h PHE 544 N 0.77 0.38 0.00 0.65 -1.00 -1.64 0.77 116.94 116.88 1de4 h PHE 544 Ca 0.22 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 61.01 1de4 h PHE 544 Cb -0.07 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.42 1de4 h PHE 544 CO -0.04 0.07 -0.12 1.25 -1.61 0.00 0.00 178.31 177.86 1de4 h LEU 545 N 0.39 0.01 -0.53 1.54 5.85 -1.24 -0.51 115.31 120.82 1de4 h LEU 545 Ca 0.33 -0.96 -0.16 0.00 0.84 0.00 0.00 57.88 57.92 1de4 h LEU 545 Cb 0.45 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1de4 h LEU 545 CO -0.35 1.05 -0.68 0.00 -0.34 0.00 0.00 178.44 178.12 1de4 h ALA 546 N -0.03 0.73 0.00 1.25 0.00 -1.05 -2.99 119.26 117.18 1de4 h ALA 546 Ca -0.03 -0.59 -0.26 0.00 0.00 0.00 0.00 54.91 54.03 1de4 h ALA 546 Cb 1.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1de4 h ALA 546 CO -0.01 0.77 -1.85 0.98 0.00 0.00 0.00 179.25 179.14 1de4 n TYR 547 N -3.83 0.00 0.14 0.00 9.36 0.22 -1.97 117.16 121.08 1de4 n TYR 547 Ca -0.03 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.20 1de4 n TYR 547 Cb 0.67 -0.76 0.14 0.00 -0.63 0.00 0.00 39.34 38.76 1de4 n TYR 547 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 1de4 h SER 548 N -0.97 0.00 0.00 2.98 0.02 -1.26 -3.45 113.55 110.87 1de4 h SER 548 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1de4 h SER 548 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1de4 h SER 548 CO -0.24 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1de4 n GLY 549 N 0.69 0.51 3.52 -3.77 0.00 -0.54 -4.94 105.19 100.66 1de4 n GLY 549 Ca 0.00 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 1de4 n GLY 549 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1de4 s ILE 550 N -2.00 5.21 0.08 -0.61 1.01 -0.31 -3.74 121.20 120.84 1de4 s ILE 550 Ca 0.00 -0.25 -0.35 0.00 0.00 0.00 0.00 60.65 60.05 1de4 s ILE 550 Cb 0.00 -3.68 -0.14 0.00 0.01 0.00 0.00 42.46 38.65 1de4 s ILE 550 CO 0.00 -0.01 1.57 -0.81 0.00 0.00 0.00 174.94 175.70 1de4 n PRO 551 N 5.09 1.84 -4.45 2.79 -0.04 -1.26 -3.34 135.00 135.64 1de4 n PRO 551 Ca -0.13 0.67 -0.22 0.00 -0.04 0.00 0.00 63.50 63.78 1de4 n PRO 551 Cb 0.50 -2.41 -0.10 0.00 -0.04 0.00 0.00 33.50 31.44 1de4 n PRO 551 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1de4 s ALA 552 N 1.42 2.42 -0.04 0.55 0.00 -1.26 -0.86 121.76 123.98 1de4 s ALA 552 Ca 0.83 -1.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 1de4 s ALA 552 Cb -0.77 0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.69 1de4 s ALA 552 CO 0.44 -0.14 0.37 0.54 0.00 0.00 0.00 175.76 176.96 1de4 s VAL 553 N -3.07 0.04 -0.00 0.00 0.11 -0.58 -1.55 120.40 115.36 1de4 s VAL 553 Ca 0.32 -0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 59.02 1de4 s VAL 553 Cb 0.06 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1de4 s VAL 553 CO 0.13 -0.18 0.03 -0.55 -3.33 0.00 0.00 175.10 171.20 1de4 s SER 554 N -1.02 0.05 0.13 3.54 0.15 0.37 -1.61 113.70 115.31 1de4 s SER 554 Ca -0.11 -0.13 -0.17 0.00 0.70 0.00 0.00 55.95 56.25 1de4 s SER 554 Cb -0.04 0.11 0.04 0.00 -1.71 0.00 0.00 66.02 64.41 1de4 s SER 554 CO 0.04 -0.14 0.42 0.72 1.20 0.00 0.00 173.24 175.48 1de4 s PHE 555 N -0.59 -0.22 0.19 3.44 -0.12 -1.26 -0.90 117.98 118.52 1de4 s PHE 555 Ca -0.07 -0.09 -0.19 0.00 -0.05 0.00 0.00 56.93 56.53 1de4 s PHE 555 Cb -0.04 0.29 0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1de4 s PHE 555 CO -0.00 -0.72 0.55 0.00 -0.05 0.00 0.00 175.22 175.00 1de4 s PHE 557 N -3.85 3.46 0.31 0.00 0.40 -0.04 -1.44 117.98 116.82 1de4 s PHE 557 Ca 0.07 -2.00 0.02 0.00 -0.60 0.00 0.00 56.93 54.42 1de4 s PHE 557 Cb -0.01 -3.36 -0.01 0.00 0.51 0.00 0.00 43.02 40.15 1de4 s PHE 557 CO -0.05 -0.97 0.07 0.00 0.70 0.00 0.00 175.22 174.97 1de4 s GLU 559 N -3.16 2.24 0.00 0.00 2.56 -1.26 -1.07 118.70 118.01 1de4 s GLU 559 Ca 0.11 -2.36 0.28 0.00 0.00 0.00 0.00 54.97 52.99 1de4 s GLU 559 Cb 0.01 -1.65 1.13 0.00 2.00 0.00 0.00 34.13 35.61 1de4 s GLU 559 CO 0.07 -0.49 1.84 -0.25 -0.56 0.00 0.00 175.26 175.87 1de4 n ASP 560 N -1.45 0.14 -4.78 -1.70 9.92 -1.26 -4.74 116.55 112.69 1de4 n ASP 560 Ca -0.17 0.18 -0.33 0.00 -0.53 0.00 0.00 54.79 53.94 1de4 n ASP 560 Cb 0.66 -0.29 -0.07 0.00 -0.64 0.00 0.00 41.12 40.78 1de4 n ASP 560 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1de4 s THR 561 N -2.90 4.70 0.40 -3.53 2.01 -1.26 -5.09 115.64 109.97 1de4 s THR 561 Ca 0.16 -0.41 -0.25 0.00 0.31 0.00 0.00 61.69 61.51 1de4 s THR 561 Cb 0.19 -3.14 -0.08 0.00 0.01 0.00 0.00 72.50 69.47 1de4 s THR 561 CO 0.55 0.36 1.13 -1.81 -0.69 0.00 0.00 174.62 174.16 1de4 s ASP 562 N -1.71 6.58 -0.46 3.53 1.01 -1.26 -4.88 116.67 119.48 1de4 s ASP 562 Ca 0.22 2.24 -0.27 0.00 0.71 0.00 0.00 52.55 55.46 1de4 s ASP 562 Cb -0.12 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 1de4 s ASP 562 CO 0.13 -0.63 2.04 -0.47 0.21 0.00 0.00 175.17 176.45 1de4 s TYR 563 N -1.49 1.48 0.31 4.23 5.04 -1.26 -4.84 117.35 120.82 1de4 s TYR 563 Ca 0.58 0.94 0.05 0.00 -2.44 0.00 0.00 57.07 56.19 1de4 s TYR 563 Cb -0.28 -3.94 0.83 0.00 0.35 0.00 0.00 41.96 38.92 1de4 s TYR 563 CO 0.35 -2.73 1.60 -1.00 -1.34 0.00 0.00 175.55 172.43 1de4 h PRO 564 N 15.74 0.07 0.00 4.97 0.13 -1.91 -2.53 132.00 148.46 1de4 h PRO 564 Ca -0.29 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1de4 h PRO 564 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1de4 h PRO 564 CO 1.13 0.04 0.00 0.66 -0.23 0.00 0.00 178.00 179.60 1de4 n TYR 565 N -5.37 0.00 -1.67 1.56 0.53 -1.26 -4.87 117.16 106.08 1de4 n TYR 565 Ca 0.25 0.00 -0.46 0.00 -1.02 0.00 0.00 57.90 56.67 1de4 n TYR 565 Cb 0.82 -0.29 -0.04 0.00 -1.03 0.00 0.00 39.34 38.80 1de4 n TYR 565 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1de4 n LEU 566 N -1.29 3.02 -0.05 7.72 4.77 -0.95 -0.99 117.00 129.24 1de4 n LEU 566 Ca 0.12 1.10 -0.01 0.00 -0.03 0.00 0.00 56.01 57.19 1de4 n LEU 566 Cb 0.20 -1.42 -0.00 0.00 -2.33 0.00 0.00 43.42 39.87 1de4 n LEU 566 CO 0.19 -0.38 -0.01 0.61 -1.33 0.00 0.00 177.39 176.47 1de4 n GLY 567 N 3.00 0.46 3.20 -0.72 0.00 -1.26 -4.88 105.19 104.98 1de4 n GLY 567 Ca 0.15 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1de4 n GLY 567 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1de4 n THR 568 N -2.84 0.00 0.68 2.61 -2.24 -0.16 -0.45 114.28 111.88 1de4 n THR 568 Ca -0.01 -2.11 0.13 0.00 -2.27 0.00 0.00 64.05 59.79 1de4 n THR 568 Cb 0.09 0.42 0.32 0.00 -2.10 0.00 0.00 70.33 69.06 1de4 n THR 568 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1de4 n THR 569 N -1.11 0.39 1.41 4.28 -1.04 -1.26 -3.67 114.28 113.27 1de4 n THR 569 Ca -0.18 -0.23 0.12 0.00 -2.04 0.00 0.00 64.05 61.72 1de4 n THR 569 Cb 0.56 -0.32 0.47 0.00 -1.82 0.00 0.00 70.33 69.22 1de4 n THR 569 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1de4 n MET 570 N -2.06 1.62 -2.30 -2.82 2.81 -1.26 -4.55 117.12 108.57 1de4 n MET 570 Ca 0.05 -0.92 -0.43 0.00 -1.81 0.00 0.00 57.70 54.59 1de4 n MET 570 Cb 0.42 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1de4 n MET 570 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1de4 n ASP 571 N 0.13 4.62 -4.64 7.83 2.03 -1.24 -4.65 116.55 120.62 1de4 n ASP 571 Ca 0.17 -2.92 -0.29 0.00 0.52 0.00 0.00 54.79 52.27 1de4 n ASP 571 Cb 0.31 -1.66 -0.11 0.00 -0.72 0.00 0.00 41.12 38.94 1de4 n ASP 571 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1de4 s THR 572 N 3.03 1.89 0.07 5.18 -4.23 -1.26 -1.15 115.64 119.17 1de4 s THR 572 Ca 0.48 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.75 1de4 s THR 572 Cb 0.07 -2.89 -0.16 0.00 1.34 0.00 0.00 72.50 70.86 1de4 s THR 572 CO 0.00 0.00 1.66 0.22 -0.54 0.00 0.00 174.62 175.96 1de4 h TYR 573 N 1.72 -0.06 -0.90 3.99 3.20 -1.94 -0.47 116.97 122.51 1de4 h TYR 573 Ca -0.44 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 61.58 1de4 h TYR 573 Cb 1.25 0.02 -0.16 0.00 1.54 0.00 0.00 36.73 39.38 1de4 h TYR 573 CO 0.83 0.03 -0.33 0.87 -1.64 0.00 0.00 178.16 177.92 1de4 h LYS 574 N -0.14 -0.03 -0.32 1.82 1.79 -1.96 0.57 116.57 118.30 1de4 h LYS 574 Ca -0.01 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1de4 h LYS 574 Cb 0.12 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1de4 h LYS 574 CO 0.01 -0.02 -0.12 0.93 -1.08 0.00 0.00 179.45 179.17 1de4 h GLU 575 N -0.03 0.64 0.16 3.15 4.39 -1.76 -2.24 114.58 118.89 1de4 h GLU 575 Ca 0.35 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.80 1de4 h GLU 575 Cb 0.61 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1de4 h GLU 575 CO -0.92 0.85 -0.25 1.25 -1.16 0.00 0.00 179.01 178.77 1de4 h LEU 576 N 0.41 -0.71 -0.73 1.33 5.85 0.75 -0.64 115.31 121.57 1de4 h LEU 576 Ca 0.07 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 1de4 h LEU 576 Cb 0.64 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1de4 h LEU 576 CO 0.04 -0.35 -0.62 -0.29 -0.34 0.00 0.00 178.44 176.88 1de4 h ILE 577 N -0.48 1.43 -0.43 4.05 2.10 -1.25 -0.41 117.51 122.52 1de4 h ILE 577 Ca 0.02 -2.08 -0.07 0.00 1.08 0.00 0.00 64.86 63.81 1de4 h ILE 577 Cb 0.49 2.10 -0.02 0.00 -1.09 0.00 0.00 36.82 38.30 1de4 h ILE 577 CO -0.12 0.60 -0.03 -0.08 -1.08 0.00 0.00 178.15 177.44 1de4 h GLU 578 N 0.05 0.70 0.20 2.19 4.81 -1.20 0.56 114.58 121.89 1de4 h GLU 578 Ca -0.01 -0.19 -0.31 0.00 -0.13 0.00 0.00 59.36 58.73 1de4 h GLU 578 Cb 1.10 -0.08 0.03 0.00 0.63 0.00 0.00 28.75 30.43 1de4 h GLU 578 CO 0.08 0.74 -1.32 0.00 -0.73 0.00 0.00 179.01 177.78 1de4 h ARG 579 N 0.66 0.54 -2.86 1.92 3.08 -0.89 -3.40 114.38 113.44 1de4 h ARG 579 Ca 0.13 -0.85 -0.61 0.00 0.07 0.00 0.00 59.98 58.72 1de4 h ARG 579 Cb 0.45 0.31 -0.40 0.00 0.08 0.00 0.00 29.97 30.40 1de4 h ARG 579 CO 0.02 1.40 -0.75 -1.50 -1.07 0.00 0.00 179.97 178.07 1de4 s ILE 580 N -2.71 1.62 0.52 2.04 2.07 -0.18 -4.98 121.20 119.57 1de4 s ILE 580 Ca -0.10 -3.15 0.21 0.00 -1.41 0.00 0.00 60.65 56.20 1de4 s ILE 580 Cb 0.04 -2.10 0.34 0.00 0.13 0.00 0.00 42.46 40.87 1de4 s ILE 580 CO 0.93 -1.02 2.06 1.55 -1.91 0.00 0.00 174.94 176.55 1de4 h PRO 581 N 6.00 0.02 -1.19 3.50 0.13 -1.10 -2.19 132.00 137.16 1de4 h PRO 581 Ca 0.11 -0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.96 1de4 h PRO 581 Cb 0.87 -0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.85 1de4 h PRO 581 CO 0.53 0.01 0.36 0.39 -0.23 0.00 0.00 178.00 179.06 1de4 n GLU 582 N -4.45 1.68 -0.10 0.86 4.71 -1.26 -4.64 120.64 117.44 1de4 n GLU 582 Ca 0.04 -1.50 -0.10 0.00 -0.01 0.00 0.00 57.16 55.59 1de4 n GLU 582 Cb 0.37 -1.59 -0.07 0.00 -1.01 0.00 0.00 31.44 29.14 1de4 n GLU 582 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1de4 h LEU 583 N 1.57 -1.36 -1.08 -4.62 6.46 -1.73 -1.27 115.31 113.28 1de4 h LEU 583 Ca 0.30 0.18 0.29 0.00 -0.12 0.00 0.00 57.88 58.53 1de4 h LEU 583 Cb 1.53 0.55 -0.13 0.00 -0.73 0.00 0.00 40.66 41.89 1de4 h LEU 583 CO 0.62 -0.30 0.61 -1.13 -0.62 0.00 0.00 178.44 177.63 1de4 h ASN 584 N -0.30 0.55 -0.17 1.25 -1.24 -1.88 0.59 115.58 114.38 1de4 h ASN 584 Ca 0.05 0.15 -0.15 0.00 0.71 0.00 0.00 56.30 57.06 1de4 h ASN 584 Cb 0.44 0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.57 1de4 h ASN 584 CO -0.43 -0.01 -0.49 0.50 -1.29 0.00 0.00 177.43 175.71 1de4 h LYS 585 N 0.42 0.62 -0.51 6.67 3.64 -1.68 -2.15 116.57 123.59 1de4 h LYS 585 Ca 0.69 -0.45 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1de4 h LYS 585 Cb 1.53 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.41 1de4 h LYS 585 CO -0.50 1.07 -0.15 0.28 -2.27 0.00 0.00 179.45 177.88 1de4 h VAL 586 N 0.29 1.27 -0.63 2.00 2.07 0.23 -1.94 116.25 119.54 1de4 h VAL 586 Ca -0.01 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 1de4 h VAL 586 Cb 1.11 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1de4 h VAL 586 CO 0.10 0.46 0.39 0.00 0.02 0.00 0.00 177.57 178.54 1de4 h ALA 587 N 0.89 1.50 -0.47 1.67 0.00 0.04 -1.82 119.26 121.07 1de4 h ALA 587 Ca 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1de4 h ALA 587 Cb 0.72 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1de4 h ALA 587 CO 0.06 0.44 0.15 -0.09 0.00 0.00 0.00 179.25 179.81 1de4 h ARG 588 N 0.87 0.74 -0.88 0.00 1.12 -0.95 0.11 114.38 115.38 1de4 h ARG 588 Ca 0.23 -0.16 0.02 0.00 -1.11 0.00 0.00 59.98 58.96 1de4 h ARG 588 Cb -0.05 -0.11 -0.05 0.00 -0.01 0.00 0.00 29.97 29.76 1de4 h ARG 588 CO -0.05 0.70 0.58 0.00 -3.11 0.00 0.00 179.97 178.10 1de4 h ALA 589 N 1.00 1.13 0.05 2.80 0.00 -0.59 0.32 119.26 123.98 1de4 h ALA 589 Ca 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1de4 h ALA 589 Cb 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1de4 h ALA 589 CO -0.00 0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.72 1de4 h ALA 590 N 1.33 -0.07 -0.79 0.00 0.00 -1.04 -1.71 119.26 116.99 1de4 h ALA 590 Ca 0.33 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1de4 h ALA 590 Cb -0.10 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1de4 h ALA 590 CO -0.08 -0.43 0.52 0.00 0.00 0.00 0.00 179.25 179.26 1de4 h ALA 591 N 0.66 1.83 -0.47 0.00 0.00 -0.36 -1.13 119.26 119.78 1de4 h ALA 591 Ca -0.01 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1de4 h ALA 591 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1de4 h ALA 591 CO 0.01 -0.00 -0.23 1.49 0.00 0.00 0.00 179.25 180.52 1de4 h GLU 592 N 0.67 0.99 -0.33 0.00 4.81 0.12 0.28 114.58 121.12 1de4 h GLU 592 Ca 0.37 -0.43 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 1de4 h GLU 592 Cb 0.54 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1de4 h GLU 592 CO -0.14 1.11 -0.47 -0.39 -0.73 0.00 0.00 179.01 178.38 1de4 h VAL 593 N 0.85 1.27 -0.31 0.32 -1.51 -0.57 -0.03 116.25 116.26 1de4 h VAL 593 Ca 0.11 -1.65 -0.03 0.00 -1.23 0.00 0.00 66.70 63.90 1de4 h VAL 593 Cb 0.81 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 1de4 h VAL 593 CO 0.07 0.54 0.08 0.00 -1.23 0.00 0.00 177.57 177.03 1de4 h ALA 594 N 0.72 0.41 -0.46 5.19 0.00 -1.15 -1.40 119.26 122.56 1de4 h ALA 594 Ca 0.04 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1de4 h ALA 594 Cb 1.08 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1de4 h ALA 594 CO 0.11 0.07 0.11 0.78 0.00 0.00 0.00 179.25 180.32 1de4 h GLY 595 N 0.34 0.57 1.28 0.00 0.00 -0.29 -1.10 103.07 103.87 1de4 h GLY 595 Ca 0.10 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 1de4 h GLY 595 CO 0.00 -0.04 0.01 1.46 0.00 0.00 0.00 176.54 177.97 1de4 h GLN 596 N 0.25 0.88 -0.11 4.80 4.20 -0.80 -1.06 115.11 123.27 1de4 h GLN 596 Ca 0.23 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1de4 h GLN 596 Cb 0.28 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1de4 h GLN 596 CO -0.28 0.87 -0.03 0.74 -0.67 0.00 0.00 178.83 179.45 1de4 h PHE 597 N 0.82 -0.08 -0.09 2.96 0.04 -0.57 0.14 116.94 120.17 1de4 h PHE 597 Ca 0.16 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.97 1de4 h PHE 597 Cb 0.47 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 1de4 h PHE 597 CO 0.03 -0.06 -0.13 0.28 -0.60 0.00 0.00 178.31 177.83 1de4 h VAL 598 N -0.01 0.64 0.21 -0.55 2.07 -0.85 0.55 116.25 118.32 1de4 h VAL 598 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1de4 h VAL 598 Cb 0.10 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1de4 h VAL 598 CO -0.12 0.00 -0.24 0.40 0.02 0.00 0.00 177.57 177.63 1de4 h ILE 599 N -0.18 0.00 -1.00 4.57 1.08 -0.88 -1.76 117.51 119.35 1de4 h ILE 599 Ca 0.08 0.00 0.35 0.00 -0.39 0.00 0.00 64.86 64.89 1de4 h ILE 599 Cb 0.29 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.88 1de4 h ILE 599 CO -0.20 0.00 0.54 0.11 -0.69 0.00 0.00 178.15 177.91 1de4 h LYS 600 N -0.46 0.21 0.00 2.37 1.79 -0.79 0.92 116.57 120.61 1de4 h LYS 600 Ca -0.03 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1de4 h LYS 600 Cb 0.41 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1de4 h LYS 600 CO -0.05 0.14 -0.17 -0.07 -1.08 0.00 0.00 179.45 178.22 1de4 h LEU 601 N 0.22 0.00 0.00 2.94 3.38 -0.45 -3.37 115.31 118.03 1de4 h LEU 601 Ca 0.76 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.73 1de4 h LEU 601 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1de4 h LEU 601 CO -0.66 0.17 -1.00 0.35 0.09 0.00 0.00 178.44 177.39 1de4 n THR 602 N -3.16 0.00 -0.04 0.22 -2.24 -0.16 -4.79 114.28 104.11 1de4 n THR 602 Ca 0.03 -0.08 -0.06 0.00 -2.27 0.00 0.00 64.05 61.66 1de4 n THR 602 Cb 0.56 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 69.25 1de4 n THR 602 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1de4 h HIS 603 N 0.00 -0.71 -4.84 4.78 6.17 0.63 0.36 115.15 121.55 1de4 h HIS 603 Ca 0.00 0.03 -0.53 0.00 0.71 0.00 0.00 60.37 60.58 1de4 h HIS 603 Cb 0.09 0.33 -0.12 0.00 2.52 0.00 0.00 27.41 30.22 1de4 h HIS 603 CO 0.00 -0.22 -0.45 -0.40 0.71 0.00 0.00 177.93 177.57 1de4 n ASP 604 N -3.81 1.02 -0.46 3.26 5.75 -1.26 -4.20 116.55 116.85 1de4 n ASP 604 Ca -0.02 -3.10 0.39 0.00 -0.01 0.00 0.00 54.79 52.04 1de4 n ASP 604 Cb 0.15 1.06 0.64 0.00 -1.03 0.00 0.00 41.12 41.95 1de4 n ASP 604 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1de4 n VAL 605 N -0.86 -0.21 -3.81 2.12 0.24 -1.26 -4.44 118.33 110.11 1de4 n VAL 605 Ca -0.04 1.64 -0.37 0.00 -2.04 0.00 0.00 64.34 63.52 1de4 n VAL 605 Cb 0.59 -2.69 -0.06 0.00 -1.47 0.00 0.00 33.84 30.22 1de4 n VAL 605 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1de4 s GLU 606 N -5.07 3.56 -0.12 7.34 2.02 -1.26 -4.97 118.70 120.20 1de4 s GLU 606 Ca -0.07 -0.05 -0.25 0.00 0.02 0.00 0.00 54.97 54.62 1de4 s GLU 606 Cb 0.28 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 1de4 s GLU 606 CO 0.77 0.73 0.79 -0.51 0.02 0.00 0.00 175.26 177.05 1de4 s LEU 607 N -0.93 4.24 0.00 1.80 1.43 -1.26 -4.92 118.68 119.04 1de4 s LEU 607 Ca 0.16 1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 54.44 1de4 s LEU 607 Cb -0.13 -3.19 -0.10 0.00 0.03 0.00 0.00 46.19 42.80 1de4 s LEU 607 CO 0.05 -0.27 2.26 0.59 0.23 0.00 0.00 176.35 179.21 1de4 n ASN 608 N 4.56 4.22 -4.45 2.29 3.02 -1.26 -4.75 115.26 118.89 1de4 n ASN 608 Ca 0.02 -2.20 -0.43 0.00 -0.03 0.00 0.00 54.58 51.94 1de4 n ASN 608 Cb 0.50 -1.01 -0.10 0.00 -0.61 0.00 0.00 39.78 38.56 1de4 n ASN 608 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1de4 s LEU 609 N 0.00 5.15 -0.97 3.41 1.43 -1.26 -4.39 118.68 122.05 1de4 s LEU 609 Ca 0.25 -0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 1de4 s LEU 609 Cb 0.12 -2.19 0.14 0.00 0.03 0.00 0.00 46.19 44.29 1de4 s LEU 609 CO 0.00 -0.49 1.17 -0.62 0.23 0.00 0.00 176.35 176.63 1de4 s ASP 610 N 1.82 6.70 0.00 2.29 2.15 -0.07 -4.85 116.67 124.70 1de4 s ASP 610 Ca 0.06 -2.19 0.07 0.00 0.43 0.00 0.00 52.55 50.91 1de4 s ASP 610 Cb -0.19 -2.40 0.31 0.00 -0.30 0.00 0.00 42.92 40.34 1de4 s ASP 610 CO 0.10 -1.01 1.22 0.00 -0.17 0.00 0.00 175.17 175.31 1de4 n TYR 611 N 6.37 0.00 0.18 -5.34 0.18 -1.26 -2.09 117.16 115.20 1de4 n TYR 611 Ca 0.26 0.00 0.04 0.00 1.88 0.00 0.00 57.90 60.08 1de4 n TYR 611 Cb 0.48 -0.49 0.33 0.00 -0.38 0.00 0.00 39.34 39.28 1de4 n TYR 611 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1de4 h GLU 612 N 0.00 0.00 -0.05 -3.48 4.57 -1.95 -2.91 114.58 110.77 1de4 h GLU 612 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1de4 h GLU 612 Cb 0.12 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1de4 h GLU 612 CO 0.00 0.41 0.23 0.00 -1.18 0.00 0.00 179.01 178.47 1de4 h ARG 613 N 0.00 0.00 0.00 1.92 2.47 -1.71 -0.55 114.38 116.50 1de4 h ARG 613 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1de4 h ARG 613 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 1de4 h ARG 613 CO 0.05 0.00 0.00 0.66 0.56 0.00 0.00 179.97 181.24 1de4 n TYR 614 N -3.11 0.28 0.02 3.04 4.02 -1.10 -2.69 117.16 117.62 1de4 n TYR 614 Ca -0.01 0.10 -0.08 0.00 -0.01 0.00 0.00 57.90 57.89 1de4 n TYR 614 Cb 0.30 -0.66 0.07 0.00 -0.02 0.00 0.00 39.34 39.04 1de4 n TYR 614 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1de4 h ASN 615 N 0.00 0.55 0.29 7.72 2.35 -1.31 -1.63 115.58 123.55 1de4 h ASN 615 Ca 0.00 -0.29 -0.14 0.00 -0.55 0.00 0.00 56.30 55.32 1de4 h ASN 615 Cb 0.41 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1de4 h ASN 615 CO 0.00 0.98 -0.56 0.28 -1.65 0.00 0.00 177.43 176.48 1de4 h SER 616 N 0.38 0.31 -0.29 5.81 0.02 -1.68 -1.17 113.55 116.93 1de4 h SER 616 Ca 0.01 -0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 60.66 1de4 h SER 616 Cb 1.08 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 1de4 h SER 616 CO 0.10 0.81 -0.32 1.56 -1.14 0.00 0.00 176.83 177.83 1de4 h GLN 617 N 0.21 0.72 -0.06 3.45 1.08 -1.56 -1.58 115.11 117.37 1de4 h GLN 617 Ca 0.00 -0.40 -0.00 0.00 -1.45 0.00 0.00 58.65 56.80 1de4 h GLN 617 Cb 1.05 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1de4 h GLN 617 CO 0.09 1.02 0.03 -0.07 -0.95 0.00 0.00 178.83 178.94 1de4 h LEU 618 N 0.47 0.09 -0.77 1.46 4.07 -1.19 -1.54 115.31 117.88 1de4 h LEU 618 Ca 0.04 -0.16 0.06 0.00 0.08 0.00 0.00 57.88 57.89 1de4 h LEU 618 Cb 0.90 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.56 1de4 h LEU 618 CO 0.08 0.23 0.46 0.25 -1.08 0.00 0.00 178.44 178.38 1de4 h LEU 619 N -0.06 0.72 -1.48 1.67 5.85 -1.21 -0.64 115.31 120.16 1de4 h LEU 619 Ca 0.02 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1de4 h LEU 619 Cb 0.17 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1de4 h LEU 619 CO -0.00 0.46 0.15 -1.28 -0.34 0.00 0.00 178.44 177.43 1de4 h SER 620 N 0.85 0.45 -0.29 1.25 0.87 -1.03 0.03 113.55 115.68 1de4 h SER 620 Ca 0.34 -0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.73 1de4 h SER 620 Cb 0.16 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1de4 h SER 620 CO -0.17 0.40 -0.28 0.15 -0.53 0.00 0.00 176.83 176.41 1de4 h PHE 621 N 0.50 0.92 -0.29 2.24 3.57 -0.12 -0.10 116.94 123.66 1de4 h PHE 621 Ca 0.13 -0.23 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 1de4 h PHE 621 Cb 0.09 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1de4 h PHE 621 CO 0.00 0.98 -0.14 0.28 -2.23 0.00 0.00 178.31 177.20 1de4 h VAL 622 N 0.68 1.23 -0.14 1.41 2.07 -0.23 -2.21 116.25 119.08 1de4 h VAL 622 Ca 0.08 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 1de4 h VAL 622 Cb 0.81 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1de4 h VAL 622 CO 0.07 0.34 -0.13 -0.09 0.02 0.00 0.00 177.57 177.78 1de4 h ARG 623 N 0.46 0.33 0.00 1.57 2.43 -0.52 -2.28 114.38 116.36 1de4 h ARG 623 Ca 0.08 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1de4 h ARG 623 Cb 0.52 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1de4 h ARG 623 CO 0.03 0.72 0.04 -0.25 -1.51 0.00 0.00 179.97 178.99 1de4 n ASP 624 N -4.58 0.41 -0.00 -3.80 8.00 -0.10 -2.21 116.55 114.27 1de4 n ASP 624 Ca -0.06 0.68 0.10 0.00 0.71 0.00 0.00 54.79 56.21 1de4 n ASP 624 Cb 0.35 -0.72 -0.13 0.00 -0.02 0.00 0.00 41.12 40.60 1de4 n ASP 624 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1de4 n LEU 625 N -2.06 0.68 0.26 0.64 7.94 -0.86 -4.42 117.00 119.18 1de4 n LEU 625 Ca -0.01 -0.35 0.15 0.00 -1.11 0.00 0.00 56.01 54.69 1de4 n LEU 625 Cb 0.06 0.00 0.53 0.00 0.53 0.00 0.00 43.42 44.54 1de4 n LEU 625 CO 0.07 0.17 0.93 -0.55 -1.11 0.00 0.00 177.39 176.90 1de4 h ASN 626 N 0.00 0.00 0.58 1.96 7.08 -1.22 -2.33 115.58 121.65 1de4 h ASN 626 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1de4 h ASN 626 Cb 0.63 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.87 1de4 h ASN 626 CO 0.00 0.03 0.00 0.00 -2.08 0.00 0.00 177.43 175.38 1de4 n GLN 627 N -3.12 0.17 -0.28 4.14 10.64 -1.26 -1.89 117.38 125.77 1de4 n GLN 627 Ca 0.01 0.45 0.07 0.00 -1.83 0.00 0.00 57.00 55.70 1de4 n GLN 627 Cb 0.38 -1.86 0.19 0.00 -0.86 0.00 0.00 30.24 28.09 1de4 n GLN 627 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1de4 n TYR 628 N -2.19 0.62 0.04 2.61 4.02 -0.88 -4.60 117.16 116.78 1de4 n TYR 628 Ca 0.02 -0.71 0.02 0.00 -0.01 0.00 0.00 57.90 57.21 1de4 n TYR 628 Cb 0.19 -0.17 0.36 0.00 -0.02 0.00 0.00 39.34 39.70 1de4 n TYR 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1de4 h ARG 629 N 1.63 0.43 0.07 -0.72 3.08 -1.38 -0.65 114.38 116.84 1de4 h ARG 629 Ca 0.00 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1de4 h ARG 629 Cb 1.06 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1de4 h ARG 629 CO 0.10 0.45 -0.03 0.00 -1.07 0.00 0.00 179.97 179.42 1de4 h ALA 630 N 1.60 -0.09 -0.14 0.04 0.00 -1.81 0.29 119.26 119.15 1de4 h ALA 630 Ca 0.09 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1de4 h ALA 630 Cb 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1de4 h ALA 630 CO 0.01 -0.47 0.01 -0.44 0.00 0.00 0.00 179.25 178.36 1de4 h ASP 631 N -0.24 -0.02 -0.74 0.00 3.32 -1.80 0.85 116.42 117.79 1de4 h ASP 631 Ca -0.01 0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.18 1de4 h ASP 631 Cb 0.21 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.72 1de4 h ASP 631 CO 0.01 0.01 0.36 0.40 -1.72 0.00 0.00 179.24 178.31 1de4 h ILE 632 N 0.07 0.80 -0.59 0.35 1.08 -0.95 -0.74 117.51 117.53 1de4 h ILE 632 Ca 0.07 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1de4 h ILE 632 Cb 0.07 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 33.96 1de4 h ILE 632 CO -0.10 0.11 0.26 0.50 -0.69 0.00 0.00 178.15 178.23 1de4 h LYS 633 N 0.59 0.86 -0.84 2.37 3.11 -0.15 -0.46 116.57 122.04 1de4 h LYS 633 Ca 0.38 -0.14 0.03 0.00 -2.81 0.00 0.00 60.65 58.10 1de4 h LYS 633 Cb 0.45 -0.15 -0.05 0.00 -1.00 0.00 0.00 32.23 31.48 1de4 h LYS 633 CO -0.30 0.72 0.54 0.93 -2.81 0.00 0.00 179.45 178.53 1de4 h GLU 634 N 0.80 1.04 0.00 1.90 5.08 0.53 -0.30 114.58 123.63 1de4 h GLU 634 Ca 0.20 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1de4 h GLU 634 Cb 0.16 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1de4 h GLU 634 CO -0.02 0.69 0.00 -1.33 -1.00 0.00 0.00 179.01 177.34 1de4 n MET 635 N -4.55 0.83 -1.76 2.33 2.81 -0.54 -4.82 117.12 111.41 1de4 n MET 635 Ca 0.10 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.85 1de4 n MET 635 Cb 0.07 -1.00 -0.04 0.00 -0.71 0.00 0.00 33.22 31.54 1de4 n MET 635 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1de4 n GLY 636 N 0.33 0.78 3.86 3.03 0.00 -0.12 -5.01 105.19 108.06 1de4 n GLY 636 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1de4 n GLY 636 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1de4 s LEU 637 N -3.53 3.73 0.24 0.99 1.43 -0.21 -5.02 118.68 116.31 1de4 s LEU 637 Ca 0.00 -0.37 0.12 0.00 -1.03 0.00 0.00 54.13 52.85 1de4 s LEU 637 Cb 0.00 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 1de4 s LEU 637 CO 0.00 -0.25 -0.21 -0.55 0.23 0.00 0.00 176.35 175.57 1de4 s SER 638 N -3.96 3.56 0.00 2.29 0.15 -1.26 -4.00 113.70 110.48 1de4 s SER 638 Ca 0.38 -0.93 0.12 0.00 0.70 0.00 0.00 55.95 56.22 1de4 s SER 638 Cb -0.07 -0.31 0.16 0.00 -1.71 0.00 0.00 66.02 64.10 1de4 s SER 638 CO 0.27 0.08 0.99 0.18 1.20 0.00 0.00 173.24 175.96 1de4 n LEU 639 N -0.19 2.29 -0.20 3.45 4.32 -1.26 -4.62 117.00 120.79 1de4 n LEU 639 Ca -0.09 -1.28 -0.01 0.00 -0.02 0.00 0.00 56.01 54.61 1de4 n LEU 639 Cb 0.58 -0.07 0.22 0.00 -1.62 0.00 0.00 43.42 42.52 1de4 n LEU 639 CO 0.34 0.48 1.15 -0.61 -1.22 0.00 0.00 177.39 177.53 1de4 h GLN 640 N 2.31 0.96 -0.21 3.23 5.75 -1.98 -0.50 115.11 124.66 1de4 h GLN 640 Ca 0.00 -0.10 -0.17 0.00 -0.15 0.00 0.00 58.65 58.23 1de4 h GLN 640 Cb 0.57 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 1de4 h GLN 640 CO 0.00 0.71 -0.54 -1.49 -2.65 0.00 0.00 178.83 174.85 1de4 h TRP 641 N 0.97 0.80 -0.48 3.99 4.06 -1.99 0.13 115.95 123.43 1de4 h TRP 641 Ca 0.25 -0.28 -0.12 0.00 2.06 0.00 0.00 58.89 60.79 1de4 h TRP 641 Cb 0.03 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.02 1de4 h TRP 641 CO 0.01 1.04 -0.17 1.25 -3.56 0.00 0.00 178.44 177.00 1de4 h LEU 642 N 0.49 0.96 -0.16 -4.49 5.85 -1.82 -1.27 115.31 114.88 1de4 h LEU 642 Ca 0.01 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1de4 h LEU 642 Cb 1.10 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1de4 h LEU 642 CO 0.11 1.11 0.10 1.88 -0.34 0.00 0.00 178.44 181.29 1de4 h TYR 643 N 0.83 0.21 0.00 1.25 0.99 -0.79 -1.64 116.97 117.82 1de4 h TYR 643 Ca 0.12 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1de4 h TYR 643 Cb 0.73 -0.07 0.00 0.00 1.00 0.00 0.00 36.73 38.39 1de4 h TYR 643 CO 0.05 0.17 0.00 0.66 -0.00 0.00 0.00 178.16 179.04 1de4 h SER 644 N 0.18 0.00 -0.02 3.88 4.64 -0.58 -2.42 113.55 119.24 1de4 h SER 644 Ca 0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1de4 h SER 644 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1de4 h SER 644 CO -0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.86 1de4 h ALA 645 N 2.08 0.03 0.00 5.18 0.00 -0.31 -0.22 119.26 126.03 1de4 h ALA 645 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1de4 h ALA 645 Cb 0.41 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1de4 h ALA 645 CO 0.00 -0.07 -0.04 0.07 0.00 0.00 0.00 179.25 179.21 1de4 h ARG 646 N -0.55 0.00 0.17 0.00 -0.00 -1.20 -0.10 114.38 112.69 1de4 h ARG 646 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 1de4 h ARG 646 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.73 1de4 h ARG 646 CO 0.02 0.04 -0.08 0.78 -0.00 0.00 0.00 179.97 180.73 1de4 h GLY 647 N 1.20 -0.23 2.00 0.08 0.00 -1.20 -2.17 103.07 102.75 1de4 h GLY 647 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1de4 h GLY 647 CO 0.01 -0.08 -0.07 -0.55 0.00 0.00 0.00 176.54 175.84 1de4 h ASP 648 N -0.67 0.00 -0.14 0.19 5.19 -0.24 -1.05 116.42 119.70 1de4 h ASP 648 Ca -0.02 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.31 1de4 h ASP 648 Cb 0.49 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 1de4 h ASP 648 CO 0.04 0.07 -0.21 0.15 -3.12 0.00 0.00 179.24 176.17 1de4 h PHE 649 N 0.00 0.47 -0.34 4.55 3.57 -0.90 -1.69 116.94 122.61 1de4 h PHE 649 Ca -0.00 -0.16 0.06 0.00 3.53 0.00 0.00 57.97 61.40 1de4 h PHE 649 Cb 0.15 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 1de4 h PHE 649 CO 0.00 0.82 -0.00 0.35 -2.23 0.00 0.00 178.31 177.25 1de4 h PHE 650 N -0.01 -0.02 -0.57 0.41 3.57 -0.65 0.10 116.94 119.76 1de4 h PHE 650 Ca 0.01 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1de4 h PHE 650 Cb 0.77 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.50 1de4 h PHE 650 CO 0.10 -0.06 0.19 0.00 -2.23 0.00 0.00 178.31 176.30 1de4 h ARG 651 N 0.09 0.35 -0.38 1.11 3.08 -1.15 -1.23 114.38 116.26 1de4 h ARG 651 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1de4 h ARG 651 Cb 0.22 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1de4 h ARG 651 CO -0.28 0.23 0.25 0.00 -1.07 0.00 0.00 179.97 179.10 1de4 h ALA 652 N 1.40 0.48 -0.76 0.04 0.00 -0.18 0.55 119.26 120.80 1de4 h ALA 652 Ca 0.29 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1de4 h ALA 652 Cb 0.36 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1de4 h ALA 652 CO -0.31 -0.06 0.48 1.79 0.00 0.00 0.00 179.25 181.15 1de4 h THR 653 N 0.51 1.12 -0.39 0.00 1.35 -0.06 -1.07 112.91 114.37 1de4 h THR 653 Ca 0.14 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 1de4 h THR 653 Cb -0.05 0.09 -0.02 0.00 -1.73 0.00 0.00 68.15 66.44 1de4 h THR 653 CO -0.03 0.17 0.21 0.28 -0.25 0.00 0.00 175.52 175.91 1de4 h SER 654 N 0.95 0.49 -0.95 5.36 0.02 -0.61 -0.49 113.55 118.32 1de4 h SER 654 Ca 0.30 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1de4 h SER 654 Cb -0.01 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.36 1de4 h SER 654 CO -0.10 0.45 0.63 -0.09 -1.14 0.00 0.00 176.83 176.57 1de4 h ARG 655 N 0.50 1.21 -0.31 3.45 2.43 -0.33 -0.63 114.38 120.70 1de4 h ARG 655 Ca 0.14 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 1de4 h ARG 655 Cb 0.07 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1de4 h ARG 655 CO -0.02 0.80 -0.46 1.25 -1.51 0.00 0.00 179.97 180.03 1de4 h LEU 656 N 1.25 0.95 -1.20 3.80 5.85 -0.79 -0.97 115.31 124.20 1de4 h LEU 656 Ca 0.36 -0.51 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 1de4 h LEU 656 Cb -0.09 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.66 1de4 h LEU 656 CO -0.09 1.28 -0.19 0.74 -0.34 0.00 0.00 178.44 179.83 1de4 h THR 657 N 0.66 1.22 0.09 1.05 2.02 -0.70 -1.69 112.91 115.57 1de4 h THR 657 Ca 0.03 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1de4 h THR 657 Cb 1.07 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1de4 h THR 657 CO 0.11 0.32 -0.04 0.74 0.37 0.00 0.00 175.52 177.01 1de4 h THR 658 N 0.29 1.08 -0.99 3.16 2.02 -0.94 -1.05 112.91 116.48 1de4 h THR 658 Ca 0.05 -0.66 0.16 0.00 0.77 0.00 0.00 66.41 66.74 1de4 h THR 658 Cb 0.51 1.50 -0.09 0.00 -1.74 0.00 0.00 68.15 68.33 1de4 h THR 658 CO 0.03 0.16 0.62 0.44 0.37 0.00 0.00 175.52 177.14 1de4 h ASP 659 N -0.43 0.80 0.00 4.18 3.32 -0.78 0.12 116.42 123.64 1de4 h ASP 659 Ca -0.01 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1de4 h ASP 659 Cb 0.36 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1de4 h ASP 659 CO 0.02 0.35 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.63 1de4 h PHE 660 N 0.81 -0.01 -0.47 4.55 -1.00 -1.15 -2.91 116.94 116.76 1de4 h PHE 660 Ca 0.53 -0.00 0.10 0.00 2.81 0.00 0.00 57.97 61.41 1de4 h PHE 660 Cb 0.76 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.23 1de4 h PHE 660 CO -0.00 0.20 -0.19 0.78 -1.61 0.00 0.00 178.31 177.48 1de4 h GLY 661 N -0.21 0.17 0.16 -1.45 0.00 0.53 0.26 103.07 102.53 1de4 h GLY 661 Ca -0.00 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1de4 h GLY 661 CO 0.00 -0.21 0.00 0.70 0.00 0.00 0.00 176.54 177.04 1de4 n ASN 662 N -5.39 0.00 -4.86 0.19 3.02 -0.25 -4.84 115.26 103.13 1de4 n ASN 662 Ca 0.04 -1.66 -0.33 0.00 -0.03 0.00 0.00 54.58 52.60 1de4 n ASN 662 Cb 0.30 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.41 1de4 n ASN 662 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1de4 s ALA 663 N -2.00 3.83 -0.61 5.41 0.00 0.08 -5.04 121.76 123.44 1de4 s ALA 663 Ca 0.07 -0.81 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 1de4 s ALA 663 Cb 0.03 -1.77 0.04 0.00 0.00 0.00 0.00 23.12 21.42 1de4 s ALA 663 CO 0.05 0.74 1.11 -1.21 0.00 0.00 0.00 175.76 176.45 1de4 s GLU 664 N -1.93 3.37 0.00 0.00 8.01 -1.26 -4.85 118.70 122.03 1de4 s GLU 664 Ca 0.26 -0.08 0.00 0.00 0.01 0.00 0.00 54.97 55.16 1de4 s GLU 664 Cb -0.12 -4.07 0.00 0.00 -4.31 0.00 0.00 34.13 25.62 1de4 s GLU 664 CO 0.18 -1.71 0.52 1.63 0.01 0.00 0.00 175.26 175.89 1de4 n LYS 665 N 8.24 0.00 0.05 1.61 4.76 -1.26 -0.62 118.16 130.94 1de4 n LYS 665 Ca 0.04 0.11 0.09 0.00 -2.87 0.00 0.00 58.31 55.69 1de4 n LYS 665 Cb 0.48 -1.54 -0.07 0.00 -1.84 0.00 0.00 35.03 32.06 1de4 n LYS 665 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1de4 n THR 666 N -1.02 0.54 -2.59 -0.18 -2.24 -1.26 -4.68 114.28 102.84 1de4 n THR 666 Ca 0.00 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 1de4 n THR 666 Cb 0.04 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 67.96 1de4 n THR 666 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1de4 s ASP 667 N -5.16 6.66 0.05 3.42 -1.08 0.21 -4.84 116.67 115.94 1de4 s ASP 667 Ca -0.04 -1.93 0.02 0.00 -0.52 0.00 0.00 52.55 50.08 1de4 s ASP 667 Cb 0.11 -2.56 0.13 0.00 -1.46 0.00 0.00 42.92 39.13 1de4 s ASP 667 CO 0.83 -1.33 0.90 -2.11 0.52 0.00 0.00 175.17 173.98 1de4 n ARG 668 N 8.53 0.02 -0.09 4.34 1.85 -1.26 -1.90 116.66 128.15 1de4 n ARG 668 Ca 0.40 0.36 -0.15 0.00 -1.00 0.00 0.00 57.85 57.46 1de4 n ARG 668 Cb 0.49 -1.75 -0.09 0.00 -1.05 0.00 0.00 32.46 30.06 1de4 n ARG 668 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 1de4 h PHE 669 N 0.00 0.00 -0.03 2.89 3.57 -1.96 -3.01 116.94 118.41 1de4 h PHE 669 Ca 0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1de4 h PHE 669 Cb 0.39 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1de4 h PHE 669 CO 0.00 0.97 -0.16 -0.24 -2.23 0.00 0.00 178.31 176.65 1de4 h VAL 670 N -1.00 1.13 0.00 1.41 3.04 -1.79 -1.52 116.25 117.53 1de4 h VAL 670 Ca -0.19 -0.62 -0.13 0.00 -1.01 0.00 0.00 66.70 64.75 1de4 h VAL 670 Cb 0.98 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 31.54 1de4 h VAL 670 CO -0.12 0.18 -0.61 0.24 -1.01 0.00 0.00 177.57 176.26 1de4 h MET 671 N 0.04 0.00 0.01 4.17 2.86 -1.53 -2.74 114.93 117.74 1de4 h MET 671 Ca 0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1de4 h MET 671 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1de4 h MET 671 CO 0.02 0.61 -0.00 -0.22 1.06 0.00 0.00 176.91 178.38 1de4 h LYS 672 N 0.00 -0.01 -0.72 1.72 1.63 -1.14 -2.09 116.57 115.96 1de4 h LYS 672 Ca -0.01 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 59.91 1de4 h LYS 672 Cb 1.17 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.72 1de4 h LYS 672 CO 0.08 0.30 0.31 -0.22 -3.45 0.00 0.00 179.45 176.47 1de4 h LYS 673 N -0.33 0.48 -0.31 1.90 3.64 -1.35 -0.63 116.57 119.96 1de4 h LYS 673 Ca -0.00 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1de4 h LYS 673 Cb 0.32 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1de4 h LYS 673 CO 0.00 0.32 -0.26 -0.07 -2.27 0.00 0.00 179.45 177.17 1de4 h LEU 674 N 0.49 0.77 -1.81 5.20 3.38 -1.44 -2.87 115.31 119.04 1de4 h LEU 674 Ca 0.38 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1de4 h LEU 674 Cb 0.50 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1de4 h LEU 674 CO -0.34 1.06 -0.14 0.78 0.09 0.00 0.00 178.44 179.89 1de4 h ASN 675 N 0.49 0.00 -0.42 -0.43 2.35 -0.78 -1.92 115.58 114.87 1de4 h ASN 675 Ca 0.06 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1de4 h ASN 675 Cb 0.83 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 1de4 h ASN 675 CO 0.07 0.14 0.06 0.44 -1.65 0.00 0.00 177.43 176.48 1de4 h ASP 676 N 0.00 0.68 -0.75 5.81 3.32 -0.91 -0.79 116.42 123.79 1de4 h ASP 676 Ca -0.00 -0.27 0.06 0.00 0.02 0.00 0.00 57.03 56.84 1de4 h ASP 676 Cb 0.38 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 1de4 h ASP 676 CO 0.02 0.78 0.49 0.03 -1.72 0.00 0.00 179.24 178.84 1de4 h ARG 677 N 0.56 0.77 -0.26 3.56 2.47 -1.25 -2.23 114.38 118.00 1de4 h ARG 677 Ca 0.13 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.71 1de4 h ARG 677 Cb 0.40 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1de4 h ARG 677 CO 0.01 0.51 -0.17 0.28 0.56 0.00 0.00 179.97 181.15 1de4 h VAL 678 N 0.79 1.31 0.00 2.04 2.07 -1.07 -3.06 116.25 118.33 1de4 h VAL 678 Ca 0.32 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 1de4 h VAL 678 Cb 0.26 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1de4 h VAL 678 CO -0.11 0.41 -0.13 0.24 0.02 0.00 0.00 177.57 178.00 1de4 h MET 679 N 0.29 0.00 0.00 1.57 2.86 -0.59 -2.24 114.93 116.82 1de4 h MET 679 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1de4 h MET 679 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1de4 h MET 679 CO 0.05 0.13 -0.03 0.54 1.06 0.00 0.00 176.91 178.66 1de4 n ARG 680 N -3.66 0.03 0.22 1.72 1.74 -0.93 -4.13 116.66 111.65 1de4 n ARG 680 Ca -0.02 0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 1de4 n ARG 680 Cb 0.25 -1.54 -0.08 0.00 -1.02 0.00 0.00 32.46 30.07 1de4 n ARG 680 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1de4 h VAL 681 N 0.00 0.64 -0.87 1.55 2.07 -1.39 -1.26 116.25 117.00 1de4 h VAL 681 Ca 0.00 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1de4 h VAL 681 Cb 0.53 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1de4 h VAL 681 CO 0.00 0.01 0.54 -0.08 0.02 0.00 0.00 177.57 178.06 1de4 h GLU 682 N -0.53 1.17 -0.84 1.57 4.57 -1.77 -2.82 114.58 115.93 1de4 h GLU 682 Ca -0.05 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1de4 h GLU 682 Cb 0.40 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1de4 h GLU 682 CO 0.08 0.81 0.44 -0.92 -1.18 0.00 0.00 179.01 178.24 1de4 h TYR 683 N 1.19 1.17 0.00 0.92 3.20 -1.61 -2.59 116.97 119.25 1de4 h TYR 683 Ca 0.31 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1de4 h TYR 683 Cb -0.07 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 37.82 1de4 h TYR 683 CO -0.00 0.83 0.00 0.72 -1.64 0.00 0.00 178.16 178.06 1de4 n HIS 684 N -4.33 0.00 1.00 -3.82 8.25 -0.49 -1.59 115.22 114.24 1de4 n HIS 684 Ca 0.09 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 1de4 n HIS 684 Cb 0.11 -0.20 0.25 0.00 1.12 0.00 0.00 29.99 31.28 1de4 n HIS 684 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1de4 n PHE 685 N -1.20 0.13 -2.96 4.41 0.99 -0.98 -4.71 117.46 113.15 1de4 n PHE 685 Ca 0.08 -0.06 -0.40 0.00 -0.00 0.00 0.00 57.45 57.07 1de4 n PHE 685 Cb 0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.52 1de4 n PHE 685 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1de4 s LEU 686 N -1.84 4.45 0.14 4.37 1.43 -0.62 -0.26 118.68 126.34 1de4 s LEU 686 Ca 0.33 1.48 -0.31 0.00 -1.03 0.00 0.00 54.13 54.59 1de4 s LEU 686 Cb 0.21 -3.27 -0.09 0.00 0.03 0.00 0.00 46.19 43.06 1de4 s LEU 686 CO 0.31 -0.00 1.58 -0.55 0.23 0.00 0.00 176.35 177.91 1de4 s SER 687 N -0.01 6.61 0.00 2.29 0.15 0.12 -4.87 113.70 117.99 1de4 s SER 687 Ca 0.39 2.56 0.15 0.00 0.70 0.00 0.00 55.95 59.75 1de4 s SER 687 Cb -0.21 -2.59 0.44 0.00 -1.71 0.00 0.00 66.02 61.96 1de4 s SER 687 CO 0.24 -0.83 1.36 -0.81 1.20 0.00 0.00 173.24 174.39 1de4 n PRO 688 N 4.39 1.96 -0.05 5.44 -0.04 -1.26 -4.11 135.00 141.33 1de4 n PRO 688 Ca 0.14 -1.49 0.06 0.00 -0.04 0.00 0.00 63.50 62.17 1de4 n PRO 688 Cb 0.39 -1.35 0.08 0.00 -0.04 0.00 0.00 33.50 32.58 1de4 n PRO 688 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1de4 n TYR 689 N 0.70 0.13 -4.48 0.54 4.02 -1.26 -5.01 117.16 111.80 1de4 n TYR 689 Ca 0.15 -0.13 -0.24 0.00 -0.01 0.00 0.00 57.90 57.67 1de4 n TYR 689 Cb 0.36 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.57 1de4 n TYR 689 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1de4 s VAL 690 N -0.96 2.19 -0.16 -0.72 -7.23 -1.26 -5.11 120.40 107.16 1de4 s VAL 690 Ca 0.16 -2.27 -0.29 0.00 -1.81 0.00 0.00 61.98 57.77 1de4 s VAL 690 Cb 0.10 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 1de4 s VAL 690 CO 0.15 -0.33 0.99 -0.55 -0.31 0.00 0.00 175.10 175.05 1de4 s SER 691 N -3.52 7.15 0.57 4.85 0.15 -1.26 -4.92 113.70 116.72 1de4 s SER 691 Ca 0.30 1.42 0.32 0.00 0.70 0.00 0.00 55.95 58.69 1de4 s SER 691 Cb -0.00 -2.53 1.73 0.00 -1.71 0.00 0.00 66.02 63.51 1de4 s SER 691 CO 0.14 -0.51 2.17 -0.65 1.20 0.00 0.00 173.24 175.59 1de4 h PRO 692 N 7.26 0.00 0.03 5.44 0.11 -1.93 0.26 132.00 143.17 1de4 h PRO 692 Ca -0.27 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 1de4 h PRO 692 Cb 1.12 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.23 1de4 h PRO 692 CO 0.89 0.06 -0.40 -0.22 -0.21 0.00 0.00 178.00 178.12 1de4 h LYS 693 N 0.00 0.22 0.00 1.05 3.64 -1.91 -2.48 116.57 117.09 1de4 h LYS 693 Ca -0.00 -0.28 -0.09 0.00 -1.27 0.00 0.00 60.65 59.01 1de4 h LYS 693 Cb 0.22 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1de4 h LYS 693 CO 0.01 1.03 -0.59 0.93 -2.27 0.00 0.00 179.45 178.56 1de4 h GLU 694 N -0.47 0.00 -2.07 1.90 5.08 -1.87 -3.39 114.58 113.77 1de4 h GLU 694 Ca -0.06 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.73 1de4 h GLU 694 Cb 1.20 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.06 1de4 h GLU 694 CO 0.08 0.37 -1.05 0.43 -1.00 0.00 0.00 179.01 177.84 1de4 n SER 695 N -3.13 0.35 -0.33 1.42 7.64 0.91 -4.99 113.62 115.48 1de4 n SER 695 Ca 0.00 -2.70 0.10 0.00 1.01 0.00 0.00 58.87 57.28 1de4 n SER 695 Cb 0.71 -0.63 0.30 0.00 -1.01 0.00 0.00 64.21 63.58 1de4 n SER 695 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1de4 h PRO 696 N 4.24 0.82 -3.58 1.43 0.13 -1.62 -3.25 132.00 130.18 1de4 h PRO 696 Ca 0.11 -0.05 -0.72 0.00 -0.87 0.00 0.00 66.00 64.46 1de4 h PRO 696 Cb 0.87 -0.19 -0.08 0.00 0.13 0.00 0.00 31.00 31.74 1de4 h PRO 696 CO 0.48 0.54 2.81 1.19 -0.23 0.00 0.00 178.00 182.79 1de4 n PHE 697 N -4.63 3.10 0.53 1.56 0.99 -1.26 -4.06 117.46 113.69 1de4 n PHE 697 Ca 0.20 -2.92 0.10 0.00 -0.00 0.00 0.00 57.45 54.83 1de4 n PHE 697 Cb 0.44 -2.29 0.41 0.00 -1.00 0.00 0.00 39.48 37.05 1de4 n PHE 697 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1de4 n ARG 698 N 4.64 0.09 -1.64 -1.08 1.74 -0.83 -1.83 116.66 117.74 1de4 n ARG 698 Ca 0.52 0.28 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 1de4 n ARG 698 Cb 0.35 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 1de4 n ARG 698 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1de4 s HIS 699 N -3.11 1.22 -0.40 -1.55 2.46 -0.97 0.12 115.29 113.07 1de4 s HIS 699 Ca 0.07 -0.02 0.19 0.00 0.47 0.00 0.00 55.06 55.77 1de4 s HIS 699 Cb 0.11 -4.11 0.96 0.00 -0.13 0.00 0.00 32.58 29.41 1de4 s HIS 699 CO 0.36 -4.93 1.58 1.33 -2.47 0.00 0.00 174.74 170.61 1de4 n VAL 700 N 6.54 1.12 -0.12 0.89 0.24 0.64 0.36 118.33 128.00 1de4 n VAL 700 Ca 0.24 0.58 -0.19 0.00 -2.04 0.00 0.00 64.34 62.94 1de4 n VAL 700 Cb 0.43 -1.56 -0.11 0.00 -1.47 0.00 0.00 33.84 31.13 1de4 n VAL 700 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1de4 n PHE 701 N -2.12 0.00 0.12 6.34 3.01 -1.26 -0.40 117.46 123.14 1de4 n PHE 701 Ca -0.00 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.48 1de4 n PHE 701 Cb 0.07 -0.95 0.03 0.00 -0.01 0.00 0.00 39.48 38.63 1de4 n PHE 701 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1de4 n TRP 702 N -3.39 0.05 -0.13 1.38 7.02 -1.11 -4.85 117.44 116.41 1de4 n TRP 702 Ca -0.45 -0.13 0.00 0.00 -1.02 0.00 0.00 57.50 55.90 1de4 n TRP 702 Cb 0.95 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.83 1de4 n TRP 702 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1de4 n GLY 703 N 0.16 0.29 2.98 6.99 0.00 0.16 -4.79 105.19 110.98 1de4 n GLY 703 Ca 0.03 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 1de4 n GLY 703 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1de4 s SER 704 N -1.00 -0.12 0.00 1.61 0.01 -0.76 -4.98 113.70 108.46 1de4 s SER 704 Ca 0.00 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1de4 s SER 704 Cb 0.00 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1de4 s SER 704 CO 0.00 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1de4 n GLY 705 N 3.14 3.41 0.28 3.44 0.00 -1.26 -4.67 105.19 109.53 1de4 n GLY 705 Ca -0.14 -1.86 0.16 0.00 0.00 0.00 0.00 46.02 44.18 1de4 n GLY 705 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1de4 h SER 706 N 0.00 0.00 1.44 1.61 4.64 -1.99 0.18 113.55 119.43 1de4 h SER 706 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1de4 h SER 706 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1de4 h SER 706 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1de4 n HIS 707 N -2.69 0.96 -1.77 4.77 -0.00 -1.26 -4.57 115.22 110.66 1de4 n HIS 707 Ca -0.02 0.29 -0.34 0.00 -0.00 0.00 0.00 57.72 57.64 1de4 n HIS 707 Cb 0.20 -0.97 0.05 0.00 -0.00 0.00 0.00 29.99 29.28 1de4 n HIS 707 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1de4 s THR 708 N -3.12 2.83 0.01 0.61 2.01 0.05 -4.71 115.64 113.33 1de4 s THR 708 Ca 0.10 0.43 -0.21 0.00 0.31 0.00 0.00 61.69 62.32 1de4 s THR 708 Cb 0.12 -3.02 -0.18 0.00 0.01 0.00 0.00 72.50 69.43 1de4 s THR 708 CO 0.59 -0.20 1.23 -0.07 -0.69 0.00 0.00 174.62 175.48 1de4 h LEU 709 N 0.24 0.38 -0.82 4.42 4.07 -1.04 -2.89 115.31 119.67 1de4 h LEU 709 Ca -0.48 -0.60 0.06 0.00 0.08 0.00 0.00 57.88 56.94 1de4 h LEU 709 Cb 1.27 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.84 1de4 h LEU 709 CO 0.53 0.90 0.50 -0.65 -1.08 0.00 0.00 178.44 178.65 1de4 h PRO 710 N -0.13 0.89 -0.55 1.13 0.11 -1.89 -1.10 132.00 130.46 1de4 h PRO 710 Ca -0.01 -0.05 0.11 0.00 0.11 0.00 0.00 66.00 66.16 1de4 h PRO 710 Cb 0.86 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 1de4 h PRO 710 CO 0.05 0.59 0.38 0.00 -0.21 0.00 0.00 178.00 178.81 1de4 h ALA 711 N 1.39 2.16 -0.50 -0.75 0.00 -1.80 0.48 119.26 120.23 1de4 h ALA 711 Ca 0.36 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 1de4 h ALA 711 Cb 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1de4 h ALA 711 CO -0.17 -0.29 -0.19 1.25 0.00 0.00 0.00 179.25 179.85 1de4 h LEU 712 N 0.27 1.04 -0.19 0.00 6.46 -0.99 -2.00 115.31 119.90 1de4 h LEU 712 Ca 0.26 -0.38 -0.10 0.00 -0.12 0.00 0.00 57.88 57.54 1de4 h LEU 712 Cb 0.66 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1de4 h LEU 712 CO -0.06 1.19 -0.26 -0.07 -0.62 0.00 0.00 178.44 178.63 1de4 h LEU 713 N 0.88 0.55 -0.98 2.25 3.38 -0.29 -2.55 115.31 118.55 1de4 h LEU 713 Ca 0.12 -0.51 0.13 0.00 0.09 0.00 0.00 57.88 57.71 1de4 h LEU 713 Cb 0.77 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.28 1de4 h LEU 713 CO 0.06 0.95 0.60 -0.08 0.09 0.00 0.00 178.44 180.07 1de4 h GLU 714 N 0.17 0.90 -0.00 1.13 4.57 -0.10 0.76 114.58 122.00 1de4 h GLU 714 Ca 0.02 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1de4 h GLU 714 Cb 0.82 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1de4 h GLU 714 CO 0.06 0.59 -0.00 -0.97 -1.18 0.00 0.00 179.01 177.51 1de4 h ASN 715 N 0.92 0.00 -0.71 1.04 -1.24 -1.33 -3.05 115.58 111.21 1de4 h ASN 715 Ca 0.50 -0.39 0.12 0.00 0.71 0.00 0.00 56.30 57.24 1de4 h ASN 715 Cb 0.53 -0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.54 1de4 h ASN 715 CO -0.28 0.39 0.47 0.25 -1.29 0.00 0.00 177.43 176.97 1de4 h LEU 716 N -0.38 0.44 -1.36 0.34 5.85 -0.89 -0.38 115.31 118.94 1de4 h LEU 716 Ca 0.00 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1de4 h LEU 716 Cb 0.39 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1de4 h LEU 716 CO 0.00 0.25 -0.09 0.50 -0.34 0.00 0.00 178.44 178.76 1de4 h LYS 717 N 0.48 0.32 0.00 1.25 3.64 -0.77 -2.35 116.57 119.14 1de4 h LYS 717 Ca 0.34 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1de4 h LYS 717 Cb 0.66 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1de4 h LYS 717 CO -0.11 0.42 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.22 1de4 h LEU 718 N 0.31 0.00 -0.70 5.20 3.38 -1.04 -2.58 115.31 119.87 1de4 h LEU 718 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1de4 h LEU 718 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1de4 h LEU 718 CO 0.02 0.20 0.00 -1.14 0.09 0.00 0.00 178.44 177.61 1de4 n ARG 719 N -4.04 0.07 0.00 1.13 0.63 -0.88 -2.97 116.66 110.60 1de4 n ARG 719 Ca -0.02 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.47 1de4 n ARG 719 Cb 0.28 -1.73 0.00 0.00 0.45 0.00 0.00 32.46 31.46 1de4 n ARG 719 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1de4 n LYS 720 N -1.88 0.00 -2.18 -0.14 4.76 -0.97 -4.02 118.16 113.72 1de4 n LYS 720 Ca -0.01 0.38 -0.31 0.00 -2.87 0.00 0.00 58.31 55.51 1de4 n LYS 720 Cb 0.02 -1.29 -0.05 0.00 -1.84 0.00 0.00 35.03 31.87 1de4 n LYS 720 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1de4 s GLN 721 N -2.22 2.83 0.00 1.97 -0.21 -1.16 -4.82 119.66 116.05 1de4 s GLN 721 Ca 0.00 -0.62 -0.00 0.00 0.02 0.00 0.00 55.36 54.76 1de4 s GLN 721 Cb 0.00 -5.16 -0.01 0.00 1.00 0.00 0.00 33.01 28.84 1de4 s GLN 721 CO 0.00 -3.13 0.22 0.09 -2.12 0.00 0.00 175.29 170.35 1de4 n ASN 722 N 12.67 -0.05 -3.62 5.90 3.02 -1.26 -4.72 115.26 127.20 1de4 n ASN 722 Ca 0.39 -0.78 -0.15 0.00 -0.03 0.00 0.00 54.58 54.01 1de4 n ASN 722 Cb 0.48 -0.09 -0.14 0.00 -0.61 0.00 0.00 39.78 39.42 1de4 n ASN 722 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1de4 s ASN 723 N 1.88 0.67 0.00 6.41 0.01 -1.26 -5.07 114.94 117.58 1de4 s ASN 723 Ca 0.01 0.35 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 1de4 s ASN 723 Cb 0.00 0.53 0.00 0.00 0.41 0.00 0.00 41.25 42.19 1de4 s ASN 723 CO 0.00 -0.26 0.00 0.61 -1.51 0.00 0.00 177.10 175.94 1de4 n GLY 724 N 5.34 0.04 0.00 0.66 0.00 -1.26 -4.16 105.19 105.81 1de4 n GLY 724 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1de4 n GLY 724 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1de4 n ALA 725 N 0.97 0.00 -1.68 4.61 0.00 -1.26 -4.29 120.51 118.86 1de4 n ALA 725 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 1de4 n ALA 725 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1de4 n ALA 725 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1de4 n PHE 726 N -0.08 2.25 -3.52 0.00 7.35 -1.26 -4.94 117.46 117.26 1de4 n PHE 726 Ca 0.00 0.14 -0.42 0.00 -0.76 0.00 0.00 57.45 56.41 1de4 n PHE 726 Cb 0.00 -2.60 -0.08 0.00 0.35 0.00 0.00 39.48 37.15 1de4 n PHE 726 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1de4 s ASN 727 N 3.33 5.79 0.06 -2.13 3.84 -1.26 -4.98 114.94 119.59 1de4 s ASN 727 Ca 0.91 -1.79 -0.24 0.00 0.21 0.00 0.00 52.86 51.96 1de4 s ASN 727 Cb -0.75 -2.05 -0.16 0.00 -0.55 0.00 0.00 41.25 37.74 1de4 s ASN 727 CO 0.51 -0.69 1.62 -0.08 -2.79 0.00 0.00 177.10 175.67 1de4 h GLU 728 N 8.53 0.02 -0.67 0.43 4.81 -1.92 -0.42 114.58 125.36 1de4 h GLU 728 Ca -0.23 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1de4 h GLU 728 Cb 1.08 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1de4 h GLU 728 CO 0.87 0.14 0.34 1.79 -0.73 0.00 0.00 179.01 181.43 1de4 h THR 729 N -0.11 1.21 -0.57 0.32 1.35 -1.99 0.51 112.91 113.64 1de4 h THR 729 Ca 0.00 -0.57 0.02 0.00 -0.55 0.00 0.00 66.41 65.32 1de4 h THR 729 Cb 0.13 0.33 -0.04 0.00 -1.73 0.00 0.00 68.15 66.84 1de4 h THR 729 CO -0.00 0.24 0.35 0.25 -0.25 0.00 0.00 175.52 176.12 1de4 h LEU 730 N 0.95 0.58 -0.13 3.87 5.85 -1.92 -2.21 115.31 122.30 1de4 h LEU 730 Ca 0.24 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1de4 h LEU 730 Cb 0.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1de4 h LEU 730 CO -0.03 0.41 0.03 0.15 -0.34 0.00 0.00 178.44 178.65 1de4 h PHE 731 N 0.70 0.22 -0.56 1.25 3.57 0.63 0.73 116.94 123.48 1de4 h PHE 731 Ca 0.23 -0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.81 1de4 h PHE 731 Cb 0.00 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1de4 h PHE 731 CO -0.05 0.38 0.38 0.00 -2.23 0.00 0.00 178.31 176.79 1de4 h ARG 732 N -0.00 0.28 0.06 1.11 3.08 0.15 0.50 114.38 119.56 1de4 h ARG 732 Ca 0.04 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.87 1de4 h ARG 732 Cb 0.27 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.28 1de4 h ARG 732 CO 0.00 0.19 -0.85 -0.91 -1.07 0.00 0.00 179.97 177.33 1de4 h ASN 733 N 0.29 0.64 -0.69 7.04 2.35 -1.09 -2.53 115.58 121.59 1de4 h ASN 733 Ca 0.26 -0.82 0.10 0.00 -0.55 0.00 0.00 56.30 55.30 1de4 h ASN 733 Cb 0.65 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.75 1de4 h ASN 733 CO -0.06 1.39 0.32 1.56 -1.65 0.00 0.00 177.43 178.98 1de4 h GLN 734 N -0.02 0.52 0.10 0.81 4.20 0.61 -1.24 115.11 120.09 1de4 h GLN 734 Ca -0.12 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1de4 h GLN 734 Cb 1.57 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.23 1de4 h GLN 734 CO 0.16 0.34 -0.05 1.25 -0.67 0.00 0.00 178.83 179.87 1de4 h LEU 735 N 0.54 -0.11 -0.82 1.46 5.85 -1.01 -0.81 115.31 120.40 1de4 h LEU 735 Ca 0.34 -0.26 0.13 0.00 0.84 0.00 0.00 57.88 58.94 1de4 h LEU 735 Cb 0.40 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 1de4 h LEU 735 CO -0.29 0.20 0.42 0.00 -0.34 0.00 0.00 178.44 178.43 1de4 h ALA 736 N 0.42 1.21 0.04 1.25 0.00 -1.02 0.25 119.26 121.42 1de4 h ALA 736 Ca -0.01 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1de4 h ALA 736 Cb 0.36 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1de4 h ALA 736 CO 0.02 -0.06 -0.75 -0.07 0.00 0.00 0.00 179.25 178.39 1de4 h LEU 737 N 0.63 0.58 -0.79 0.00 3.38 -1.18 -2.16 115.31 115.78 1de4 h LEU 737 Ca 0.43 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1de4 h LEU 737 Cb 0.57 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1de4 h LEU 737 CO -0.34 1.32 0.46 0.00 0.09 0.00 0.00 178.44 179.98 1de4 h ALA 738 N 0.27 1.01 0.21 1.53 0.00 -0.93 0.38 119.26 121.73 1de4 h ALA 738 Ca -0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1de4 h ALA 738 Cb 1.48 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1de4 h ALA 738 CO 0.15 0.49 -0.16 1.15 0.00 0.00 0.00 179.25 180.88 1de4 h THR 739 N 1.09 0.65 0.00 0.00 2.02 -0.98 -1.94 112.91 113.75 1de4 h THR 739 Ca 0.28 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.36 1de4 h THR 739 Cb -0.01 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1de4 h THR 739 CO -0.05 0.00 -0.46 -0.25 0.37 0.00 0.00 175.52 175.13 1de4 h TRP 740 N -0.38 0.00 -0.46 3.16 2.91 -0.97 -1.08 115.95 119.13 1de4 h TRP 740 Ca -0.01 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.98 1de4 h TRP 740 Cb 0.34 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.96 1de4 h TRP 740 CO -0.11 0.46 0.18 1.15 -1.03 0.00 0.00 178.44 179.09 1de4 h THR 741 N 0.00 1.17 0.01 2.65 2.02 0.04 0.17 112.91 118.96 1de4 h THR 741 Ca -0.00 -0.54 -0.10 0.00 0.77 0.00 0.00 66.41 66.54 1de4 h THR 741 Cb 0.87 0.63 0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1de4 h THR 741 CO 0.06 0.21 -0.38 0.40 0.37 0.00 0.00 175.52 176.18 1de4 h ILE 742 N 0.65 1.52 -0.80 3.11 2.04 -0.72 -1.76 117.51 121.56 1de4 h ILE 742 Ca 0.16 -2.04 0.02 0.00 1.00 0.00 0.00 64.86 64.00 1de4 h ILE 742 Cb 0.13 2.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 1de4 h ILE 742 CO -0.02 0.57 0.53 1.56 0.00 0.00 0.00 178.15 180.79 1de4 h GLN 743 N -0.39 1.02 -0.27 2.37 1.08 -1.05 -1.73 115.11 116.15 1de4 h GLN 743 Ca -0.05 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1de4 h GLN 743 Cb 1.14 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 1de4 h GLN 743 CO 0.07 0.67 0.10 0.78 -0.95 0.00 0.00 178.83 179.51 1de4 h GLY 744 N 1.05 0.43 1.19 3.46 0.00 -0.98 0.21 103.07 108.43 1de4 h GLY 744 Ca 0.30 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.45 1de4 h GLY 744 CO -0.07 0.23 0.38 0.00 0.00 0.00 0.00 176.54 177.07 1de4 h ALA 745 N 0.94 1.88 -0.03 3.60 0.00 -0.65 -1.39 119.26 123.61 1de4 h ALA 745 Ca 0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1de4 h ALA 745 Cb 0.20 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1de4 h ALA 745 CO -0.01 0.01 -0.30 0.00 0.00 0.00 0.00 179.25 178.95 1de4 h ALA 746 N 1.70 0.08 0.00 0.00 0.00 -0.66 -1.76 119.26 118.61 1de4 h ALA 746 Ca 0.25 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1de4 h ALA 746 Cb 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1de4 h ALA 746 CO -0.07 0.14 -0.05 -0.91 0.00 0.00 0.00 179.25 178.36 1de4 h ASN 747 N -0.32 0.00 0.15 0.00 -0.26 -0.08 -0.94 115.58 114.13 1de4 h ASN 747 Ca -0.03 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.42 1de4 h ASN 747 Cb 1.00 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.27 1de4 h ASN 747 CO 0.06 0.05 -1.42 0.00 -1.06 0.00 0.00 177.43 175.06 1de4 h ALA 748 N 1.95 0.11 -0.28 -0.83 0.00 -1.26 -3.33 119.26 115.62 1de4 h ALA 748 Ca -0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 54.91 53.87 1de4 h ALA 748 Cb 0.15 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1de4 h ALA 748 CO 0.01 0.80 0.13 1.25 0.00 0.00 0.00 179.25 181.44 1de4 h LEU 749 N -0.19 0.33 -0.62 0.00 5.85 -0.70 -1.73 115.31 118.25 1de4 h LEU 749 Ca -0.29 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1de4 h LEU 749 Cb 1.85 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.80 1de4 h LEU 749 CO 0.11 0.29 0.00 0.77 -0.34 0.00 0.00 178.44 179.27 1de4 h SER 750 N 0.38 0.00 -3.87 1.25 4.64 -1.30 -3.45 113.55 111.20 1de4 h SER 750 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1de4 h SER 750 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1de4 h SER 750 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1de4 n GLY 751 N 0.23 -2.43 2.14 -0.77 0.00 -0.65 -4.95 105.19 98.75 1de4 n GLY 751 Ca 0.03 -1.27 -0.00 0.00 0.00 0.00 0.00 46.02 44.77 1de4 n GLY 751 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1de4 n ASP 752 N -1.14 -2.16 -0.34 1.61 9.92 -1.26 -4.40 116.55 118.77 1de4 n ASP 752 Ca 0.00 1.16 0.02 0.00 -0.53 0.00 0.00 54.79 55.44 1de4 n ASP 752 Cb 0.00 -2.22 0.07 0.00 -0.64 0.00 0.00 41.12 38.34 1de4 n ASP 752 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1de4 n VAL 753 N 2.00 -0.44 0.23 2.53 0.24 -1.26 0.60 118.33 122.23 1de4 n VAL 753 Ca -0.01 2.12 0.13 0.00 -2.04 0.00 0.00 64.34 64.55 1de4 n VAL 753 Cb 0.01 -2.85 0.67 0.00 -1.47 0.00 0.00 33.84 30.20 1de4 n VAL 753 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 1de4 h TRP 754 N 0.00 0.00 -1.02 6.34 0.09 -1.99 -2.75 115.95 116.61 1de4 h TRP 754 Ca 0.37 0.00 -0.67 0.00 0.09 0.00 0.00 58.89 58.67 1de4 h TRP 754 Cb 0.59 0.00 -0.30 0.00 0.08 0.00 0.00 29.16 29.53 1de4 h TRP 754 CO -0.76 0.00 0.75 -0.25 0.09 0.00 0.00 178.44 178.27 1de4 n ASP 755 N -2.41 7.49 -0.80 0.11 8.00 0.20 -5.24 116.55 123.90 1de4 n ASP 755 Ca -0.01 -3.79 0.10 0.00 0.71 0.00 0.00 54.79 51.80 1de4 n ASP 755 Cb 0.08 -0.93 0.08 0.00 -0.02 0.00 0.00 41.12 40.33 1de4 n ASP 755 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43