#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk8 s ARG 114 N 0.00 4.59 -0.33 0.00 1.81 0.16 -4.79 118.95 120.39 1pk8 s ARG 114 Ca 0.00 1.47 -0.15 0.00 -1.72 0.00 0.00 55.73 55.34 1pk8 s ARG 114 Cb 0.00 -3.42 -0.02 0.00 -0.45 0.00 0.00 34.95 31.06 1pk8 s ARG 114 CO 0.00 0.02 0.34 0.08 -0.68 0.00 0.00 175.30 175.06 1pk8 s VAL 115 N 0.64 5.19 -0.22 3.52 1.01 -1.26 0.11 120.40 129.40 1pk8 s VAL 115 Ca 0.51 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.51 1pk8 s VAL 115 Cb -0.23 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1pk8 s VAL 115 CO 0.29 -0.03 0.05 -0.22 0.00 0.00 0.00 175.10 175.19 1pk8 s LEU 116 N 1.97 3.48 -0.27 3.92 2.96 0.78 0.14 118.68 131.66 1pk8 s LEU 116 Ca 0.11 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.76 1pk8 s LEU 116 Cb -0.16 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1pk8 s LEU 116 CO 0.11 0.04 0.23 -0.22 -1.32 0.00 0.00 176.35 175.19 1pk8 s LEU 117 N 1.19 4.04 -0.31 -0.68 2.96 -0.11 -0.90 118.68 124.87 1pk8 s LEU 117 Ca 0.04 0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.96 1pk8 s LEU 117 Cb -0.14 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.38 1pk8 s LEU 117 CO 0.03 -0.07 0.08 -0.69 -1.32 0.00 0.00 176.35 174.38 1pk8 s VAL 118 N 1.75 3.86 -0.61 1.68 1.01 0.02 -0.92 120.40 127.19 1pk8 s VAL 118 Ca 0.09 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 1pk8 s VAL 118 Cb -0.16 -3.05 0.07 0.00 0.00 0.00 0.00 36.38 33.25 1pk8 s VAL 118 CO 0.10 0.01 0.86 -0.63 0.00 0.00 0.00 175.10 175.43 1pk8 s ILE 119 N 1.46 4.52 0.14 2.22 1.01 -0.18 -2.21 121.20 128.16 1pk8 s ILE 119 Ca 0.01 -0.42 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 1pk8 s ILE 119 Cb -0.18 -4.57 0.07 0.00 0.01 0.00 0.00 42.46 37.80 1pk8 s ILE 119 CO 0.02 -1.24 0.74 -0.62 0.00 0.00 0.00 174.94 173.84 1pk8 s ASP 120 N 3.40 -0.41 0.59 3.58 2.15 -0.76 -1.12 116.67 124.11 1pk8 s ASP 120 Ca 0.20 -0.15 -0.19 0.00 0.43 0.00 0.00 52.55 52.84 1pk8 s ASP 120 Cb -0.18 0.55 -0.03 0.00 -0.30 0.00 0.00 42.92 42.95 1pk8 s ASP 120 CO 0.11 -0.93 1.19 -1.61 -0.17 0.00 0.00 175.17 173.76 1pk8 s GLU 121 N -3.56 2.99 0.60 4.34 2.02 -1.26 -3.73 118.70 120.10 1pk8 s GLU 121 Ca 0.05 1.77 0.40 0.00 0.02 0.00 0.00 54.97 57.21 1pk8 s GLU 121 Cb -0.02 -1.94 2.18 0.00 0.10 0.00 0.00 34.13 34.45 1pk8 s GLU 121 CO -0.07 -1.18 2.22 -1.00 0.02 0.00 0.00 175.26 175.26 1pk8 h PRO 122 N 0.85 0.00 0.19 0.39 0.13 -1.98 -3.32 132.00 128.25 1pk8 h PRO 122 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1pk8 h PRO 122 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1pk8 h PRO 122 CO 0.55 0.00 -0.33 0.45 -0.23 0.00 0.00 178.00 178.44 1pk8 h HIS 123 N 0.00 -0.95 -2.82 1.56 3.86 -2.06 -3.39 115.15 111.35 1pk8 h HIS 123 Ca 0.00 0.02 -0.55 0.00 -1.16 0.00 0.00 60.37 58.68 1pk8 h HIS 123 Cb 0.02 0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1pk8 h HIS 123 CO 0.00 -0.41 0.92 0.99 0.86 0.00 0.00 177.93 180.30 1pk8 s THR 124 N -4.79 3.77 -0.93 2.45 2.01 -1.25 -4.95 115.64 111.95 1pk8 s THR 124 Ca -0.11 1.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.78 1pk8 s THR 124 Cb 0.03 -3.68 0.17 0.00 0.01 0.00 0.00 72.50 69.04 1pk8 s THR 124 CO 0.39 -0.05 1.04 -0.62 -0.69 0.00 0.00 174.62 174.69 1pk8 s ASP 125 N 2.32 6.75 0.46 3.53 2.15 -1.26 -4.88 116.67 125.74 1pk8 s ASP 125 Ca 0.65 -2.43 0.13 0.00 0.43 0.00 0.00 52.55 51.33 1pk8 s ASP 125 Cb -0.30 -2.33 1.05 0.00 -0.30 0.00 0.00 42.92 41.04 1pk8 s ASP 125 CO 0.25 -0.83 2.06 -0.50 -0.17 0.00 0.00 175.17 175.97 1pk8 h TRP 126 N 8.22 0.12 -0.36 -5.34 4.06 -1.93 -1.61 115.95 119.12 1pk8 h TRP 126 Ca 0.16 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 1pk8 h TRP 126 Cb 1.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 29.11 1pk8 h TRP 126 CO 1.10 0.16 0.18 0.00 -3.56 0.00 0.00 178.44 176.32 1pk8 h ALA 127 N 1.85 1.64 -0.73 1.49 0.00 -1.92 -1.27 119.26 120.33 1pk8 h ALA 127 Ca 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1pk8 h ALA 127 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1pk8 h ALA 127 CO 0.00 0.30 0.22 -0.22 0.00 0.00 0.00 179.25 179.55 1pk8 h LYS 128 N 0.49 1.15 0.00 0.00 3.64 -1.70 0.20 116.57 120.34 1pk8 h LYS 128 Ca 0.13 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1pk8 h LYS 128 Cb 0.04 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1pk8 h LYS 128 CO -0.02 0.98 -0.08 1.88 -2.27 0.00 0.00 179.45 179.94 1pk8 h TYR 129 N 1.09 0.00 0.00 1.91 0.05 -1.31 -3.18 116.97 115.54 1pk8 h TYR 129 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 1pk8 h TYR 129 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 1pk8 h TYR 129 CO 0.03 0.08 -0.96 1.19 -1.05 0.00 0.00 178.16 177.44 1pk8 n PHE 130 N -3.13 0.02 -1.61 4.88 3.72 -0.56 -4.89 117.46 115.89 1pk8 n PHE 130 Ca 0.03 0.01 -0.50 0.00 -0.05 0.00 0.00 57.45 56.94 1pk8 n PHE 130 Cb 0.53 -0.10 -0.05 0.00 -0.94 0.00 0.00 39.48 38.91 1pk8 n PHE 130 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1pk8 n LYS 131 N -1.57 1.41 0.00 -1.08 4.81 0.04 -1.00 118.16 120.76 1pk8 n LYS 131 Ca 0.04 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1pk8 n LYS 131 Cb 0.35 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1pk8 n LYS 131 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pk8 n GLY 132 N 2.66 2.68 3.73 3.14 0.00 -1.26 -4.99 105.19 111.15 1pk8 n GLY 132 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1pk8 n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk8 s LYS 133 N -0.03 4.17 0.01 1.61 -0.14 -0.17 -5.00 119.74 120.19 1pk8 s LYS 133 Ca 0.00 2.48 0.03 0.00 -1.36 0.00 0.00 55.97 57.11 1pk8 s LYS 133 Cb 0.00 -3.10 -0.01 0.00 -1.68 0.00 0.00 37.83 33.04 1pk8 s LYS 133 CO 0.00 -0.64 -0.08 0.15 -0.76 0.00 0.00 175.35 174.02 1pk8 s LYS 134 N 0.67 0.62 0.01 1.68 1.02 -1.26 -3.84 119.74 118.64 1pk8 s LYS 134 Ca 0.69 -0.46 -0.24 0.00 0.02 0.00 0.00 55.97 55.97 1pk8 s LYS 134 Cb -0.46 -0.56 -0.05 0.00 -0.52 0.00 0.00 37.83 36.24 1pk8 s LYS 134 CO 0.36 0.14 0.74 0.42 -0.92 0.00 0.00 175.35 176.09 1pk8 s ILE 135 N -0.58 4.84 -0.92 2.17 1.01 0.46 -3.71 121.20 124.47 1pk8 s ILE 135 Ca -0.01 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1pk8 s ILE 135 Cb -0.05 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1pk8 s ILE 135 CO 0.00 0.33 0.00 1.41 0.00 0.00 0.00 174.94 176.69 1pk8 n HIS 136 N 3.09 -0.03 0.00 3.97 8.25 -1.26 -1.53 115.22 127.71 1pk8 n HIS 136 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1pk8 n HIS 136 Cb 0.51 -2.52 0.00 0.00 1.12 0.00 0.00 29.99 29.10 1pk8 n HIS 136 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pk8 n GLY 137 N 0.35 1.78 0.00 -1.41 0.00 -1.24 -4.76 105.19 99.90 1pk8 n GLY 137 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1pk8 n GLY 137 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pk8 n GLU 138 N -2.00 3.00 -2.60 1.61 0.28 -1.06 -4.97 120.64 114.90 1pk8 n GLU 138 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 1pk8 n GLU 138 Cb 0.00 -0.25 -0.02 0.00 1.43 0.00 0.00 31.44 32.60 1pk8 n GLU 138 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1pk8 s ILE 139 N 0.00 4.36 0.56 3.84 1.01 -0.58 -4.90 121.20 125.50 1pk8 s ILE 139 Ca 0.00 1.52 -0.16 0.00 0.00 0.00 0.00 60.65 62.01 1pk8 s ILE 139 Cb 0.00 -4.44 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 1pk8 s ILE 139 CO 0.00 -0.64 1.04 -1.81 0.00 0.00 0.00 174.94 173.52 1pk8 s ASP 140 N 2.07 6.06 -0.20 3.58 1.01 -1.26 -0.40 116.67 127.51 1pk8 s ASP 140 Ca 0.48 1.77 -0.03 0.00 0.71 0.00 0.00 52.55 55.48 1pk8 s ASP 140 Cb -0.11 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 1pk8 s ASP 140 CO 0.21 -0.98 -0.06 -0.63 0.21 0.00 0.00 175.17 173.92 1pk8 s ILE 141 N -2.44 3.31 -0.17 0.77 1.01 -1.25 0.38 121.20 122.81 1pk8 s ILE 141 Ca 0.63 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.67 1pk8 s ILE 141 Cb -0.15 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1pk8 s ILE 141 CO 0.33 0.45 0.13 -0.75 0.00 0.00 0.00 174.94 175.10 1pk8 s LYS 142 N 1.25 3.87 -0.18 2.79 2.47 0.31 -4.92 119.74 125.33 1pk8 s LYS 142 Ca 0.03 -0.20 -0.05 0.00 -1.56 0.00 0.00 55.97 54.19 1pk8 s LYS 142 Cb -0.14 -3.30 -0.03 0.00 -1.46 0.00 0.00 37.83 32.90 1pk8 s LYS 142 CO -0.02 0.49 -0.01 0.08 0.16 0.00 0.00 175.35 176.04 1pk8 s VAL 143 N -0.19 4.02 -0.11 4.02 1.01 -1.26 -0.16 120.40 127.73 1pk8 s VAL 143 Ca 0.10 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1pk8 s VAL 143 Cb -0.11 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1pk8 s VAL 143 CO 0.00 0.46 -0.17 -1.61 0.00 0.00 0.00 175.10 173.78 1pk8 s GLU 144 N 0.64 3.20 -0.01 2.72 0.41 -0.08 -4.93 118.70 120.65 1pk8 s GLU 144 Ca -0.01 -0.76 0.05 0.00 -0.41 0.00 0.00 54.97 53.84 1pk8 s GLU 144 Cb -0.14 -2.49 -0.01 0.00 -1.78 0.00 0.00 34.13 29.71 1pk8 s GLU 144 CO 0.02 0.23 -0.16 -1.14 -0.49 0.00 0.00 175.26 173.72 1pk8 s GLN 145 N 0.28 1.25 -0.12 1.61 0.74 -1.26 -0.80 119.66 121.35 1pk8 s GLN 145 Ca -0.12 -0.58 -0.32 0.00 0.05 0.00 0.00 55.36 54.39 1pk8 s GLN 145 Cb -0.16 -1.21 0.13 0.00 1.10 0.00 0.00 33.01 32.86 1pk8 s GLN 145 CO 0.07 0.33 1.08 0.00 -0.55 0.00 0.00 175.29 176.21 1pk8 s ALA 146 N -0.40 -1.97 0.46 1.58 0.00 -0.94 -4.99 121.76 115.50 1pk8 s ALA 146 Ca 0.06 1.39 -0.04 0.00 0.00 0.00 0.00 51.96 53.36 1pk8 s ALA 146 Cb -0.06 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1pk8 s ALA 146 CO -0.00 -0.60 0.75 -1.21 0.00 0.00 0.00 175.76 174.69 1pk8 s GLU 147 N -2.57 3.53 0.24 0.00 2.02 -1.24 -1.82 118.70 118.85 1pk8 s GLU 147 Ca 0.07 0.12 -0.04 0.00 0.02 0.00 0.00 54.97 55.13 1pk8 s GLU 147 Cb -0.01 -2.42 0.44 0.00 0.10 0.00 0.00 34.13 32.24 1pk8 s GLU 147 CO -0.06 -0.15 1.74 0.74 0.02 0.00 0.00 175.26 177.55 1pk8 h PHE 148 N 0.31 0.53 0.00 1.61 0.04 -1.90 -1.91 116.94 115.62 1pk8 h PHE 148 Ca -0.47 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1pk8 h PHE 148 Cb 1.21 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1pk8 h PHE 148 CO 0.57 0.09 0.19 0.66 -0.60 0.00 0.00 178.31 179.22 1pk8 h SER 149 N 0.47 0.00 -0.30 2.17 4.64 -1.94 -1.61 113.55 116.97 1pk8 h SER 149 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1pk8 h SER 149 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1pk8 h SER 149 CO -0.38 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.05 1pk8 n ASP 150 N -2.81 3.51 -4.51 4.97 8.00 -0.72 -5.01 116.55 119.99 1pk8 n ASP 150 Ca -0.02 -2.59 -0.27 0.00 0.71 0.00 0.00 54.79 52.62 1pk8 n ASP 150 Cb 0.24 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 40.82 1pk8 n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pk8 s LEU 151 N -2.06 2.75 0.23 0.64 1.43 -0.61 -0.57 118.68 120.49 1pk8 s LEU 151 Ca 0.34 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 1pk8 s LEU 151 Cb 0.25 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 45.02 1pk8 s LEU 151 CO 0.12 0.12 0.59 0.21 0.23 0.00 0.00 176.35 177.62 1pk8 s ASN 152 N -2.69 -0.26 0.26 2.29 3.84 -0.69 -5.00 114.94 112.69 1pk8 s ASN 152 Ca 0.23 -0.56 -0.21 0.00 0.21 0.00 0.00 52.86 52.53 1pk8 s ASN 152 Cb -0.09 0.64 0.05 0.00 -0.55 0.00 0.00 41.25 41.30 1pk8 s ASN 152 CO 0.13 -1.17 0.83 -1.48 -2.79 0.00 0.00 177.10 172.62 1pk8 s LEU 153 N -2.90 -0.15 -0.06 3.21 0.05 -1.26 0.10 118.68 117.66 1pk8 s LEU 153 Ca 0.11 -0.68 -0.03 0.00 0.05 0.00 0.00 54.13 53.58 1pk8 s LEU 153 Cb -0.03 2.54 0.04 0.00 -2.05 0.00 0.00 46.19 46.69 1pk8 s LEU 153 CO 0.02 -1.27 0.15 0.54 -0.55 0.00 0.00 176.35 175.24 1pk8 s VAL 154 N -3.22 -0.04 0.00 1.48 0.11 -0.91 -4.99 120.40 112.83 1pk8 s VAL 154 Ca 0.13 0.16 0.05 0.00 -2.93 0.00 0.00 61.98 59.39 1pk8 s VAL 154 Cb -0.04 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.56 1pk8 s VAL 154 CO 0.07 0.07 -0.15 0.00 -3.33 0.00 0.00 175.10 171.75 1pk8 s ALA 155 N 1.05 1.28 -0.00 1.54 0.00 -1.26 -2.12 121.76 122.25 1pk8 s ALA 155 Ca -0.08 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1pk8 s ALA 155 Cb -0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1pk8 s ALA 155 CO -0.05 0.30 -0.15 -1.01 0.00 0.00 0.00 175.76 174.85 1pk8 s HIS 156 N -0.48 2.66 0.51 0.00 3.76 -0.27 -4.99 115.29 116.48 1pk8 s HIS 156 Ca 0.05 -0.19 0.25 0.00 -0.15 0.00 0.00 55.06 55.03 1pk8 s HIS 156 Cb -0.06 -1.55 1.54 0.00 1.11 0.00 0.00 32.58 33.62 1pk8 s HIS 156 CO -0.00 0.24 2.16 0.00 -0.85 0.00 0.00 174.74 176.28 1pk8 h ALA 157 N 4.86 1.53 0.00 -1.40 0.00 -1.87 -1.16 119.26 121.22 1pk8 h ALA 157 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1pk8 h ALA 157 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1pk8 h ALA 157 CO 0.50 0.08 0.00 -2.95 0.00 0.00 0.00 179.25 176.87 1pk8 h ASN 158 N 0.00 0.00 0.00 0.00 7.08 -1.96 -3.46 115.58 117.24 1pk8 h ASN 158 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1pk8 h ASN 158 Cb 0.14 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.38 1pk8 h ASN 158 CO 0.01 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.97 1pk8 n GLY 159 N 0.08 0.89 3.74 9.14 0.00 -0.44 -5.10 105.19 113.50 1pk8 n GLY 159 Ca 0.02 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1pk8 n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pk8 s GLY 160 N -0.79 2.86 -0.20 -0.02 0.00 -1.26 -4.78 107.32 103.12 1pk8 s GLY 160 Ca 0.00 1.23 -0.36 0.00 0.00 0.00 0.00 44.72 45.59 1pk8 s GLY 160 CO 0.00 1.69 1.25 -0.11 0.00 0.00 0.00 173.10 175.93 1pk8 s PHE 161 N -1.38 -0.10 -0.17 1.90 -0.71 -1.26 -1.11 117.98 115.14 1pk8 s PHE 161 Ca 0.77 0.06 -0.12 0.00 -1.04 0.00 0.00 56.93 56.59 1pk8 s PHE 161 Cb -0.38 0.51 0.05 0.00 -1.21 0.00 0.00 43.02 42.00 1pk8 s PHE 161 CO 0.42 -0.17 0.43 0.45 -1.34 0.00 0.00 175.22 175.02 1pk8 s SER 162 N -2.18 -0.50 -0.23 1.98 0.15 -0.90 -4.82 113.70 107.19 1pk8 s SER 162 Ca 0.10 0.91 -0.08 0.00 0.70 0.00 0.00 55.95 57.58 1pk8 s SER 162 Cb -0.01 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.12 1pk8 s SER 162 CO -0.04 -0.17 0.09 -0.69 1.20 0.00 0.00 173.24 173.62 1pk8 s VAL 163 N 0.83 4.63 -0.17 4.45 1.01 0.27 -2.14 120.40 129.27 1pk8 s VAL 163 Ca -0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1pk8 s VAL 163 Cb -0.06 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1pk8 s VAL 163 CO -0.06 0.37 0.09 -1.81 0.00 0.00 0.00 175.10 173.68 1pk8 s ASP 164 N 1.21 5.89 -0.02 3.32 1.01 0.11 -0.58 116.67 127.62 1pk8 s ASP 164 Ca 0.05 0.18 0.06 0.00 0.71 0.00 0.00 52.55 53.55 1pk8 s ASP 164 Cb -0.14 -1.99 -0.03 0.00 1.01 0.00 0.00 42.92 41.77 1pk8 s ASP 164 CO 0.04 0.22 -0.19 -0.32 0.21 0.00 0.00 175.17 175.13 1pk8 s MET 165 N 0.11 2.29 2.35 8.23 1.75 0.93 -1.70 119.30 133.26 1pk8 s MET 165 Ca 0.07 -0.82 0.00 0.00 -1.25 0.00 0.00 55.69 53.68 1pk8 s MET 165 Cb -0.12 -2.24 0.00 0.00 2.84 0.00 0.00 34.83 35.31 1pk8 s MET 165 CO 0.00 0.59 0.00 0.39 -0.65 0.00 0.00 175.02 175.35 1pk8 n GLU 166 N 2.19 0.00 -3.48 4.11 1.02 0.26 -1.65 120.64 123.09 1pk8 n GLU 166 Ca -0.17 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.79 1pk8 n GLU 166 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.81 1pk8 n GLU 166 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pk8 s VAL 175 N 0.00 -0.32 -0.01 2.62 1.01 -1.26 -5.00 120.40 117.45 1pk8 s VAL 175 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1pk8 s VAL 175 Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1pk8 s VAL 175 CO 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 175.10 174.62 1pk8 s ARG 176 N 2.32 2.18 0.03 2.72 1.70 -0.66 -5.13 118.95 122.11 1pk8 s ARG 176 Ca 0.07 -0.89 0.02 0.00 -0.47 0.00 0.00 55.73 54.46 1pk8 s ARG 176 Cb -0.16 -2.16 -0.04 0.00 -0.57 0.00 0.00 34.95 32.03 1pk8 s ARG 176 CO -0.16 0.57 0.01 -1.54 -1.08 0.00 0.00 175.30 173.10 1pk8 s SER 177 N -0.89 5.17 0.21 -2.89 1.04 -1.26 -0.05 113.70 115.03 1pk8 s SER 177 Ca 0.12 -0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.44 1pk8 s SER 177 Cb -0.10 -1.33 -0.02 0.00 0.10 0.00 0.00 66.02 64.66 1pk8 s SER 177 CO 0.01 0.24 0.27 -1.48 0.98 0.00 0.00 173.24 173.26 1pk8 s LEU 178 N -1.84 0.85 -0.45 2.42 2.34 0.26 -4.95 118.68 117.30 1pk8 s LEU 178 Ca 0.22 -1.16 0.02 0.00 0.06 0.00 0.00 54.13 53.27 1pk8 s LEU 178 Cb -0.12 0.97 0.14 0.00 -0.56 0.00 0.00 46.19 46.62 1pk8 s LEU 178 CO 0.14 -0.95 0.26 -0.54 -1.06 0.00 0.00 176.35 174.19 1pk8 s LYS 179 N -4.08 1.29 0.34 1.48 1.02 -1.26 -0.57 119.74 117.95 1pk8 s LYS 179 Ca 0.30 -2.05 -0.29 0.00 0.02 0.00 0.00 55.97 53.96 1pk8 s LYS 179 Cb 0.04 -2.28 -0.11 0.00 -0.52 0.00 0.00 37.83 34.96 1pk8 s LYS 179 CO 0.09 -1.19 1.41 -2.14 -0.92 0.00 0.00 175.35 172.61 1pk8 s PRO 180 N 0.27 4.23 0.10 -1.68 0.02 -1.26 -4.77 135.00 131.91 1pk8 s PRO 180 Ca 0.19 2.40 0.23 0.00 0.02 0.00 0.00 61.00 63.84 1pk8 s PRO 180 Cb -0.21 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.29 1pk8 s PRO 180 CO -0.02 -0.39 0.98 -0.25 -0.33 0.00 0.00 177.00 177.00 1pk8 n ASP 181 N 0.91 0.61 -3.59 2.53 8.00 0.12 -4.93 116.55 120.20 1pk8 n ASP 181 Ca 0.02 0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.44 1pk8 n ASP 181 Cb 0.40 0.78 -0.05 0.00 -0.02 0.00 0.00 41.12 42.24 1pk8 n ASP 181 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1pk8 s PHE 182 N -3.30 -0.33 -0.00 1.24 2.19 -1.03 -4.25 117.98 112.50 1pk8 s PHE 182 Ca 0.01 0.18 0.01 0.00 0.33 0.00 0.00 56.93 57.45 1pk8 s PHE 182 Cb 0.13 0.32 -0.00 0.00 -1.31 0.00 0.00 43.02 42.15 1pk8 s PHE 182 CO 0.80 -0.69 -0.04 0.08 1.83 0.00 0.00 175.22 177.21 1pk8 s VAL 183 N -3.19 0.29 -0.17 3.12 1.01 -0.60 -0.93 120.40 119.93 1pk8 s VAL 183 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1pk8 s VAL 183 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.14 1pk8 s VAL 183 CO -0.08 0.05 -0.20 -0.22 0.00 0.00 0.00 175.10 174.65 1pk8 s LEU 184 N -0.18 2.18 -0.30 3.92 2.96 -0.09 -1.46 118.68 125.69 1pk8 s LEU 184 Ca 0.00 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 1pk8 s LEU 184 Cb -0.02 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.21 1pk8 s LEU 184 CO -0.00 0.03 0.07 -0.63 -1.32 0.00 0.00 176.35 174.50 1pk8 s ILE 185 N 1.11 3.75 -1.32 6.68 1.01 -0.03 -1.01 121.20 131.39 1pk8 s ILE 185 Ca 0.00 -0.90 0.12 0.00 0.00 0.00 0.00 60.65 59.88 1pk8 s ILE 185 Cb -0.14 -3.00 0.05 0.00 0.01 0.00 0.00 42.46 39.38 1pk8 s ILE 185 CO -0.08 0.00 0.80 0.54 0.00 0.00 0.00 174.94 176.20 1pk8 n ARG 186 N 4.82 1.30 -4.17 2.79 5.12 -0.27 -4.24 116.66 122.01 1pk8 n ARG 186 Ca -0.14 -0.96 -0.26 0.00 -1.93 0.00 0.00 57.85 54.56 1pk8 n ARG 186 Cb 0.47 -1.19 -0.07 0.00 -1.16 0.00 0.00 32.46 30.51 1pk8 n ARG 186 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1pk8 s GLN 187 N -1.25 2.60 -0.09 5.56 0.74 -1.16 -4.41 119.66 121.66 1pk8 s GLN 187 Ca 0.12 -1.06 -0.30 0.00 0.05 0.00 0.00 55.36 54.17 1pk8 s GLN 187 Cb 0.10 -2.45 -0.04 0.00 1.10 0.00 0.00 33.01 31.72 1pk8 s GLN 187 CO 0.22 0.45 1.46 -1.01 -0.55 0.00 0.00 175.29 175.86 1pk8 s HIS 188 N -1.84 2.46 -0.27 1.67 3.76 -1.26 -4.81 115.29 115.00 1pk8 s HIS 188 Ca 0.29 0.61 0.28 0.00 -0.15 0.00 0.00 55.06 56.10 1pk8 s HIS 188 Cb -0.09 -3.71 1.05 0.00 1.11 0.00 0.00 32.58 30.94 1pk8 s HIS 188 CO 0.21 -2.78 1.82 0.00 -0.85 0.00 0.00 174.74 173.14 1pk8 h ALA 189 N 8.74 1.00 -2.62 -1.40 0.00 -1.92 -3.45 119.26 119.61 1pk8 h ALA 189 Ca -0.34 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1pk8 h ALA 189 Cb 1.15 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.71 1pk8 h ALA 189 CO 0.95 0.00 -0.19 0.12 0.00 0.00 0.00 179.25 180.13 1pk8 s PHE 190 N -3.42 -0.46 -0.16 0.00 5.36 -1.25 -0.88 117.98 117.17 1pk8 s PHE 190 Ca 0.04 1.09 -0.14 0.00 -0.96 0.00 0.00 56.93 56.95 1pk8 s PHE 190 Cb 0.09 0.17 0.04 0.00 -0.34 0.00 0.00 43.02 42.98 1pk8 s PHE 190 CO 0.50 -0.27 0.42 0.45 -1.46 0.00 0.00 175.22 174.87 1pk8 s SER 191 N 0.01 -0.44 0.00 6.13 0.15 -0.40 -4.84 113.70 114.31 1pk8 s SER 191 Ca -0.02 0.84 0.28 0.00 0.70 0.00 0.00 55.95 57.75 1pk8 s SER 191 Cb -0.03 0.85 1.63 0.00 -1.71 0.00 0.00 66.02 66.76 1pk8 s SER 191 CO 0.01 -0.15 2.05 0.23 1.20 0.00 0.00 173.24 176.59 1pk8 n MET 192 N 2.88 1.04 -1.69 5.44 0.00 -0.30 -3.89 117.12 120.60 1pk8 n MET 192 Ca -0.13 -0.06 -0.31 0.00 0.00 0.00 0.00 57.70 57.20 1pk8 n MET 192 Cb 0.57 -1.44 0.04 0.00 0.00 0.00 0.00 33.22 32.39 1pk8 n MET 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pk8 s ALA 193 N -2.00 2.80 0.35 3.04 0.00 -1.26 -4.96 121.76 119.73 1pk8 s ALA 193 Ca 0.42 -0.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.06 1pk8 s ALA 193 Cb 0.19 -3.12 -0.12 0.00 0.00 0.00 0.00 23.12 20.07 1pk8 s ALA 193 CO 0.32 -1.09 1.37 -2.13 0.00 0.00 0.00 175.76 174.23 1pk8 n ARG 194 N -3.02 2.32 -1.30 0.00 0.63 -1.26 -2.43 116.66 111.59 1pk8 n ARG 194 Ca 0.07 0.81 -0.10 0.00 -0.92 0.00 0.00 57.85 57.71 1pk8 n ARG 194 Cb 0.54 -2.45 -0.04 0.00 0.45 0.00 0.00 32.46 30.96 1pk8 n ARG 194 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1pk8 n ASN 195 N 0.75 -5.21 -1.23 6.15 4.13 -1.26 -4.88 115.26 113.72 1pk8 n ASN 195 Ca 0.04 0.26 0.11 0.00 1.68 0.00 0.00 54.58 56.66 1pk8 n ASN 195 Cb 0.37 -3.62 0.29 0.00 -1.54 0.00 0.00 39.78 35.28 1pk8 n ASN 195 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pk8 n GLY 196 N -0.43 2.56 3.44 7.41 0.00 -1.02 -4.88 105.19 112.27 1pk8 n GLY 196 Ca -0.10 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.76 1pk8 n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pk8 s ASP 197 N -1.00 6.22 -0.14 1.61 2.15 -1.25 -1.28 116.67 122.98 1pk8 s ASP 197 Ca 0.44 -0.96 0.18 0.00 0.43 0.00 0.00 52.55 52.64 1pk8 s ASP 197 Cb 0.23 -2.30 0.31 0.00 -0.30 0.00 0.00 42.92 40.87 1pk8 s ASP 197 CO 0.30 -0.94 1.16 -1.22 -0.17 0.00 0.00 175.17 174.30 1pk8 n TYR 198 N 6.26 0.00 -0.24 -5.34 4.01 -0.06 -4.76 117.16 117.03 1pk8 n TYR 198 Ca -0.07 -1.09 -0.05 0.00 -0.16 0.00 0.00 57.90 56.53 1pk8 n TYR 198 Cb 0.45 -0.17 0.05 0.00 -0.31 0.00 0.00 39.34 39.36 1pk8 n TYR 198 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pk8 h ARG 199 N 0.18 0.90 0.00 -0.72 3.08 -1.86 -2.28 114.38 113.67 1pk8 h ARG 199 Ca 0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1pk8 h ARG 199 Cb 1.00 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1pk8 h ARG 199 CO 0.00 0.61 -0.01 0.66 -1.07 0.00 0.00 179.97 180.16 1pk8 h SER 200 N 0.92 0.00 0.92 7.04 4.64 -1.92 0.53 113.55 125.68 1pk8 h SER 200 Ca 0.25 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.35 1pk8 h SER 200 Cb -0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1pk8 h SER 200 CO -0.05 0.01 -1.04 -0.07 -0.87 0.00 0.00 176.83 174.81 1pk8 h LEU 201 N 0.00 0.08 -0.35 5.97 3.38 -1.78 -1.33 115.31 121.28 1pk8 h LEU 201 Ca -0.00 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 1pk8 h LEU 201 Cb 0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1pk8 h LEU 201 CO 0.00 1.06 -0.46 0.58 0.09 0.00 0.00 178.44 179.71 1pk8 h VAL 202 N 0.02 1.27 -0.40 1.22 2.07 -0.82 -0.15 116.25 119.46 1pk8 h VAL 202 Ca -0.03 -1.64 -0.04 0.00 0.82 0.00 0.00 66.70 65.80 1pk8 h VAL 202 Cb 1.79 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1pk8 h VAL 202 CO 0.14 0.54 0.08 0.40 0.02 0.00 0.00 177.57 178.75 1pk8 h ILE 203 N 0.72 1.24 -0.62 4.57 2.04 -0.99 -1.88 117.51 122.58 1pk8 h ILE 203 Ca 0.04 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 1pk8 h ILE 203 Cb 1.07 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 1pk8 h ILE 203 CO 0.11 0.29 0.31 1.23 0.00 0.00 0.00 178.15 180.08 1pk8 h GLY 204 N 0.51 0.95 1.03 5.37 0.00 -1.09 0.15 103.07 109.99 1pk8 h GLY 204 Ca 0.12 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1pk8 h GLY 204 CO 0.01 0.44 0.36 1.41 0.00 0.00 0.00 176.54 178.75 1pk8 h LEU 205 N 0.85 1.04 -0.79 3.11 3.38 -0.89 -0.63 115.31 121.38 1pk8 h LEU 205 Ca 0.21 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1pk8 h LEU 205 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1pk8 h LEU 205 CO -0.03 0.89 -0.34 -0.61 0.09 0.00 0.00 178.44 178.45 1pk8 h GLN 206 N 1.11 0.53 -0.32 1.13 5.75 -0.97 -2.22 115.11 120.11 1pk8 h GLN 206 Ca 0.27 -0.24 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 1pk8 h GLN 206 Cb 0.14 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1pk8 h GLN 206 CO -0.03 0.80 -0.06 -0.92 -2.65 0.00 0.00 178.83 175.96 1pk8 h TYR 207 N 0.45 0.56 -0.00 3.99 5.03 -0.19 -1.50 116.97 125.30 1pk8 h TYR 207 Ca 0.05 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1pk8 h TYR 207 Cb 0.80 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.93 1pk8 h TYR 207 CO 0.03 0.58 -0.12 0.00 -1.32 0.00 0.00 178.16 177.34 1pk8 n ALA 208 N -2.48 2.78 -1.43 1.82 0.00 -0.29 -4.81 120.51 116.10 1pk8 n ALA 208 Ca 0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 1pk8 n ALA 208 Cb 0.29 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 1pk8 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pk8 n GLY 209 N 1.27 0.85 3.68 0.00 0.00 -0.57 -4.99 105.19 105.44 1pk8 n GLY 209 Ca 0.15 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1pk8 n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pk8 s ILE 210 N -2.34 4.37 0.62 -0.61 1.01 -0.92 -5.02 121.20 118.32 1pk8 s ILE 210 Ca 0.00 1.68 -0.18 0.00 0.00 0.00 0.00 60.65 62.15 1pk8 s ILE 210 Cb 0.00 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1pk8 s ILE 210 CO 0.00 -0.04 1.19 -2.84 0.00 0.00 0.00 174.94 173.24 1pk8 s PRO 211 N 2.54 2.82 0.22 2.79 0.02 -1.26 -4.75 135.00 137.38 1pk8 s PRO 211 Ca 0.54 1.74 -0.17 0.00 0.02 0.00 0.00 61.00 63.12 1pk8 s PRO 211 Cb -0.22 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.40 1pk8 s PRO 211 CO 0.18 -1.30 0.56 0.45 -0.33 0.00 0.00 177.00 176.56 1pk8 s SER 212 N -1.83 -0.23 -0.13 2.53 0.15 -1.26 -1.55 113.70 111.38 1pk8 s SER 212 Ca 0.75 -0.59 -0.02 0.00 0.70 0.00 0.00 55.95 56.80 1pk8 s SER 212 Cb -0.28 0.62 0.04 0.00 -1.71 0.00 0.00 66.02 64.68 1pk8 s SER 212 CO 0.36 -1.14 -0.00 -0.69 1.20 0.00 0.00 173.24 172.97 1pk8 s VAL 213 N -3.91 0.59 1.09 4.45 1.01 -0.54 -3.06 120.40 120.04 1pk8 s VAL 213 Ca 0.12 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 1pk8 s VAL 213 Cb -0.02 -0.84 0.24 0.00 0.00 0.00 0.00 36.38 35.76 1pk8 s VAL 213 CO 0.02 0.11 1.15 0.20 0.00 0.00 0.00 175.10 176.58 1pk8 s ASN 214 N 1.86 1.88 0.48 3.32 0.01 -1.26 -0.85 114.94 120.38 1pk8 s ASN 214 Ca 0.03 0.66 -0.23 0.00 -0.71 0.00 0.00 52.86 52.62 1pk8 s ASN 214 Cb -0.14 -0.96 -0.09 0.00 0.41 0.00 0.00 41.25 40.47 1pk8 s ASN 214 CO -0.07 -3.53 1.04 -1.54 -1.51 0.00 0.00 177.10 171.49 1pk8 n SER 215 N -4.37 1.32 -0.14 -1.22 3.41 -1.17 -4.78 113.62 106.67 1pk8 n SER 215 Ca 0.12 0.97 0.01 0.00 -0.26 0.00 0.00 58.87 59.71 1pk8 n SER 215 Cb 0.59 -1.39 0.30 0.00 -0.26 0.00 0.00 64.21 63.45 1pk8 n SER 215 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1pk8 h LEU 216 N 1.29 0.72 -0.24 1.04 3.38 -1.90 -1.15 115.31 118.45 1pk8 h LEU 216 Ca -0.46 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.51 1pk8 h LEU 216 Cb 1.34 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1pk8 h LEU 216 CO 0.55 0.55 0.03 -0.74 0.09 0.00 0.00 178.44 178.92 1pk8 h HIS 217 N 0.84 0.05 -0.44 1.13 2.76 -1.92 0.62 115.15 118.19 1pk8 h HIS 217 Ca 0.22 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.33 1pk8 h HIS 217 Cb -0.05 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 28.90 1pk8 h HIS 217 CO 0.00 0.00 -0.06 0.66 -1.30 0.00 0.00 177.93 177.23 1pk8 h SER 218 N 0.12 0.73 -0.25 3.26 4.64 -1.59 -1.75 113.55 118.72 1pk8 h SER 218 Ca 0.11 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1pk8 h SER 218 Cb 0.12 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 1pk8 h SER 218 CO -0.16 0.84 0.13 0.58 -0.87 0.00 0.00 176.83 177.34 1pk8 h VAL 219 N 0.69 1.13 -0.41 0.95 2.07 -0.61 -0.18 116.25 119.90 1pk8 h VAL 219 Ca 0.13 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1pk8 h VAL 219 Cb 0.52 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1pk8 h VAL 219 CO 0.03 0.13 0.24 0.22 0.02 0.00 0.00 177.57 178.21 1pk8 h TYR 220 N 0.28 0.54 0.00 1.57 5.03 -0.71 -2.27 116.97 121.41 1pk8 h TYR 220 Ca 0.09 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1pk8 h TYR 220 Cb 0.10 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.20 1pk8 h TYR 220 CO -0.03 0.39 0.00 0.09 -1.32 0.00 0.00 178.16 177.29 1pk8 n ASN 221 N -4.76 0.24 -0.16 -2.11 3.02 -0.67 -2.28 115.26 108.53 1pk8 n ASN 221 Ca 0.00 0.54 0.14 0.00 -0.03 0.00 0.00 54.58 55.23 1pk8 n ASN 221 Cb 0.06 -0.60 0.50 0.00 -0.61 0.00 0.00 39.78 39.13 1pk8 n ASN 221 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1pk8 n PHE 222 N -1.74 0.00 1.08 3.10 3.01 -0.10 -4.21 117.46 118.60 1pk8 n PHE 222 Ca 0.05 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.53 1pk8 n PHE 222 Cb 0.27 -0.17 0.16 0.00 -0.01 0.00 0.00 39.48 39.73 1pk8 n PHE 222 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pk8 s ASP 224 N -1.63 2.85 0.31 0.00 1.01 -1.26 -4.93 116.67 113.03 1pk8 s ASP 224 Ca 0.08 -1.06 0.08 0.00 0.71 0.00 0.00 52.55 52.36 1pk8 s ASP 224 Cb 0.04 -0.07 0.89 0.00 1.01 0.00 0.00 42.92 44.79 1pk8 s ASP 224 CO 0.06 -0.42 1.68 0.11 0.21 0.00 0.00 175.17 176.81 1pk8 h LYS 225 N 8.36 0.34 0.00 8.23 1.57 -1.87 0.20 116.57 133.41 1pk8 h LYS 225 Ca -0.18 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 1pk8 h LYS 225 Cb 1.04 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1pk8 h LYS 225 CO 0.40 0.23 -0.31 -1.35 -0.57 0.00 0.00 179.45 177.85 1pk8 h PRO 226 N 0.35 0.00 -0.14 3.15 0.11 -1.96 -0.06 132.00 133.46 1pk8 h PRO 226 Ca 0.64 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.65 1pk8 h PRO 226 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1pk8 h PRO 226 CO -0.58 0.31 -0.36 2.35 -0.21 0.00 0.00 178.00 179.50 1pk8 h TRP 227 N 0.00 0.33 0.08 0.65 2.91 -0.96 0.40 115.95 119.36 1pk8 h TRP 227 Ca -0.00 -0.08 -0.25 0.00 1.13 0.00 0.00 58.89 59.69 1pk8 h TRP 227 Cb 0.60 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.16 1pk8 h TRP 227 CO 0.00 0.62 -1.13 0.28 -1.03 0.00 0.00 178.44 177.18 1pk8 h VAL 228 N 0.25 1.53 -0.54 2.65 2.07 -0.97 -3.24 116.25 118.00 1pk8 h VAL 228 Ca 0.03 -3.02 -0.10 0.00 0.82 0.00 0.00 66.70 64.43 1pk8 h VAL 228 Cb 0.76 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 1pk8 h VAL 228 CO 0.06 0.88 -0.04 0.15 0.02 0.00 0.00 177.57 178.63 1pk8 h PHE 229 N 0.08 1.05 -0.90 1.57 3.57 -0.68 -2.64 116.94 118.99 1pk8 h PHE 229 Ca -0.10 -0.19 0.13 0.00 3.53 0.00 0.00 57.97 61.35 1pk8 h PHE 229 Cb 1.84 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 40.24 1pk8 h PHE 229 CO 0.05 0.96 0.58 0.00 -2.23 0.00 0.00 178.31 177.67 1pk8 h ALA 230 N 1.06 1.77 -0.54 2.41 0.00 -0.95 0.19 119.26 123.21 1pk8 h ALA 230 Ca 0.15 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1pk8 h ALA 230 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1pk8 h ALA 230 CO 0.03 -0.01 0.02 1.96 0.00 0.00 0.00 179.25 181.26 1pk8 h GLN 231 N 0.75 0.91 -0.10 0.00 1.08 -1.52 -1.45 115.11 114.79 1pk8 h GLN 231 Ca 0.45 -0.25 -0.16 0.00 -1.45 0.00 0.00 58.65 57.23 1pk8 h GLN 231 Cb 0.65 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1pk8 h GLN 231 CO -0.21 0.89 -0.64 0.52 -0.95 0.00 0.00 178.83 178.44 1pk8 h MET 232 N 0.85 0.36 -0.38 1.46 2.86 -0.77 -2.11 114.93 117.20 1pk8 h MET 232 Ca 0.16 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1pk8 h MET 232 Cb 0.47 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 1pk8 h MET 232 CO 0.02 0.89 0.16 0.28 1.06 0.00 0.00 176.91 179.32 1pk8 h VAL 233 N 0.26 0.93 -0.98 -2.22 2.07 -0.26 0.91 116.25 116.96 1pk8 h VAL 233 Ca -0.01 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1pk8 h VAL 233 Cb 1.18 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1pk8 h VAL 233 CO 0.11 0.06 0.65 -0.09 0.02 0.00 0.00 177.57 178.32 1pk8 h ARG 234 N 0.34 1.30 -0.28 1.57 2.43 -1.13 0.16 114.38 118.76 1pk8 h ARG 234 Ca 0.17 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1pk8 h ARG 234 Cb 0.11 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1pk8 h ARG 234 CO -0.15 0.86 0.03 -0.07 -1.51 0.00 0.00 179.97 179.13 1pk8 h LEU 235 N 1.33 0.45 -1.18 3.80 3.38 -0.44 -2.25 115.31 120.41 1pk8 h LEU 235 Ca 0.36 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1pk8 h LEU 235 Cb -0.16 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1pk8 h LEU 235 CO -0.08 0.62 0.56 -0.74 0.09 0.00 0.00 178.44 178.89 1pk8 h HIS 236 N 0.27 1.05 -0.88 1.13 2.76 0.12 0.52 115.15 120.12 1pk8 h HIS 236 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1pk8 h HIS 236 Cb 0.37 -0.35 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 1pk8 h HIS 236 CO 0.03 0.65 0.56 -0.22 -1.30 0.00 0.00 177.93 177.64 1pk8 h LYS 237 N 1.12 1.18 0.18 5.26 1.63 -0.34 0.22 116.57 125.82 1pk8 h LYS 237 Ca 0.32 -0.09 -0.26 0.00 -0.85 0.00 0.00 60.65 59.76 1pk8 h LYS 237 Cb -0.09 -0.26 0.02 0.00 -0.60 0.00 0.00 32.23 31.30 1pk8 h LYS 237 CO -0.08 0.81 -1.20 -0.22 -3.45 0.00 0.00 179.45 175.31 1pk8 h LYS 238 N 1.21 0.38 0.05 1.90 3.64 -0.82 -3.38 116.57 119.54 1pk8 h LYS 238 Ca 0.32 -0.64 -0.23 0.00 -1.27 0.00 0.00 60.65 58.83 1pk8 h LYS 238 Cb -0.09 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1pk8 h LYS 238 CO -0.06 1.31 -1.06 -0.07 -2.27 0.00 0.00 179.45 177.30 1pk8 h LEU 239 N -0.16 0.22 0.00 5.20 3.38 -0.88 -3.51 115.31 119.57 1pk8 h LEU 239 Ca -0.22 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1pk8 h LEU 239 Cb 1.87 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1pk8 h LEU 239 CO 0.18 1.13 0.00 0.61 0.09 0.00 0.00 178.44 180.45 1pk8 n GLY 240 N 1.29 -1.45 0.36 0.83 0.00 0.77 -4.32 105.19 102.67 1pk8 n GLY 240 Ca -0.04 -1.53 0.04 0.00 0.00 0.00 0.00 46.02 44.49 1pk8 n GLY 240 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pk8 h THR 241 N 0.00 1.07 0.00 2.61 2.02 -1.79 -1.00 112.91 115.82 1pk8 h THR 241 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1pk8 h THR 241 Cb 0.00 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1pk8 h THR 241 CO 0.00 0.18 0.00 -0.33 0.37 0.00 0.00 175.52 175.74 1pk8 h GLU 242 N 0.98 0.00 0.00 6.66 4.39 -1.98 -2.98 114.58 121.65 1pk8 h GLU 242 Ca 0.36 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.79 1pk8 h GLU 242 Cb 0.17 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 1pk8 h GLU 242 CO -0.13 0.00 -2.03 0.39 -1.16 0.00 0.00 179.01 176.08 1pk8 n GLU 243 N -2.72 0.80 -3.47 2.33 -0.58 -0.98 -4.87 120.64 111.16 1pk8 n GLU 243 Ca 0.00 0.07 -0.28 0.00 -0.42 0.00 0.00 57.16 56.53 1pk8 n GLU 243 Cb 0.21 -1.37 -0.12 0.00 -0.57 0.00 0.00 31.44 29.60 1pk8 n GLU 243 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1pk8 s PHE 244 N -2.36 0.95 -1.02 -0.32 5.36 -0.42 -4.80 117.98 115.38 1pk8 s PHE 244 Ca -0.20 -1.89 -0.17 0.00 -0.96 0.00 0.00 56.93 53.71 1pk8 s PHE 244 Cb 0.06 -1.01 -0.09 0.00 -0.34 0.00 0.00 43.02 41.64 1pk8 s PHE 244 CO 0.47 -0.82 2.09 -0.35 -1.46 0.00 0.00 175.22 175.15 1pk8 n PRO 245 N 3.66 2.06 -1.97 10.12 -0.04 -1.13 -4.31 135.00 143.38 1pk8 n PRO 245 Ca 0.17 -2.00 -0.42 0.00 -0.04 0.00 0.00 63.50 61.21 1pk8 n PRO 245 Cb 0.40 -2.93 -0.03 0.00 -0.04 0.00 0.00 33.50 30.89 1pk8 n PRO 245 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1pk8 s LEU 246 N 1.21 4.37 0.58 1.53 2.96 -1.26 -0.69 118.68 127.37 1pk8 s LEU 246 Ca 0.53 2.53 -0.20 0.00 -0.22 0.00 0.00 54.13 56.77 1pk8 s LEU 246 Cb 0.14 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 1pk8 s LEU 246 CO 0.03 -0.81 1.28 0.00 -1.32 0.00 0.00 176.35 175.53 1pk8 n ILE 247 N 4.14 4.10 -2.01 6.68 3.06 0.10 -4.77 119.36 130.66 1pk8 n ILE 247 Ca 0.14 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.47 1pk8 n ILE 247 Cb 0.40 -1.54 -0.03 0.00 0.54 0.00 0.00 39.64 39.01 1pk8 n ILE 247 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1pk8 s ASP 248 N -1.08 6.67 0.00 9.51 3.68 -1.26 -4.99 116.67 129.21 1pk8 s ASP 248 Ca 0.75 2.30 -0.02 0.00 2.13 0.00 0.00 52.55 57.71 1pk8 s ASP 248 Cb -0.41 -2.55 -0.01 0.00 -1.45 0.00 0.00 42.92 38.51 1pk8 s ASP 248 CO 0.47 -0.89 0.03 -1.58 0.13 0.00 0.00 175.17 173.33 1pk8 s GLN 249 N 3.40 0.22 -0.06 4.34 0.74 -1.26 -3.71 119.66 123.33 1pk8 s GLN 249 Ca 0.72 -0.27 0.05 0.00 0.05 0.00 0.00 55.36 55.91 1pk8 s GLN 249 Cb -0.35 0.09 -0.02 0.00 1.10 0.00 0.00 33.01 33.83 1pk8 s GLN 249 CO 0.30 -0.04 -0.21 0.99 -0.55 0.00 0.00 175.29 175.78 1pk8 s THR 250 N -0.78 2.43 -0.13 -0.34 2.01 0.25 -4.97 115.64 114.10 1pk8 s THR 250 Ca -0.09 -0.94 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 1pk8 s THR 250 Cb -0.05 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1pk8 s THR 250 CO -0.00 0.57 0.04 0.12 -0.69 0.00 0.00 174.62 174.66 1pk8 s PHE 251 N -0.33 3.25 -0.21 4.92 5.36 -1.26 -1.79 117.98 127.92 1pk8 s PHE 251 Ca 0.02 0.16 0.01 0.00 -0.96 0.00 0.00 56.93 56.16 1pk8 s PHE 251 Cb -0.13 -1.93 0.05 0.00 -0.34 0.00 0.00 43.02 40.67 1pk8 s PHE 251 CO 0.02 0.36 -0.10 0.71 -1.46 0.00 0.00 175.22 174.75 1pk8 s TYR 252 N -0.35 2.59 0.43 10.12 2.02 -0.24 -5.00 117.35 126.93 1pk8 s TYR 252 Ca 0.08 -1.75 0.14 0.00 -0.37 0.00 0.00 57.07 55.17 1pk8 s TYR 252 Cb -0.12 -1.70 1.04 0.00 -0.40 0.00 0.00 41.96 40.77 1pk8 s TYR 252 CO 0.02 -0.78 1.96 -1.35 -1.57 0.00 0.00 175.55 173.83 1pk8 h PRO 253 N 7.93 0.40 -3.22 -1.71 0.11 -1.93 -2.33 132.00 131.25 1pk8 h PRO 253 Ca -0.26 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1pk8 h PRO 253 Cb 1.09 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.06 1pk8 h PRO 253 CO 0.47 0.26 0.13 0.54 -0.21 0.00 0.00 178.00 179.20 1pk8 s ASN 254 N -6.17 -0.08 0.56 -2.05 2.20 -1.26 -3.63 114.94 104.51 1pk8 s ASN 254 Ca -0.08 -0.87 0.23 0.00 -0.94 0.00 0.00 52.86 51.20 1pk8 s ASN 254 Cb 0.20 0.72 1.55 0.00 -2.00 0.00 0.00 41.25 41.72 1pk8 s ASN 254 CO 0.75 -1.38 2.20 1.12 -2.94 0.00 0.00 177.10 176.85 1pk8 h HIS 255 N 2.06 0.00 -0.19 1.54 2.07 -1.85 -3.00 115.15 115.78 1pk8 h HIS 255 Ca -0.24 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.33 1pk8 h HIS 255 Cb 1.25 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.22 1pk8 h HIS 255 CO 0.72 0.00 0.23 0.87 -3.07 0.00 0.00 177.93 176.68 1pk8 h LYS 256 N 0.00 0.00 0.00 5.12 1.57 -1.97 0.39 116.57 121.68 1pk8 h LYS 256 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pk8 h LYS 256 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pk8 h LYS 256 CO -0.00 0.00 -0.48 0.39 -0.57 0.00 0.00 179.45 178.79 1pk8 n GLU 257 N -3.69 0.06 -2.62 3.15 -0.58 -1.13 -4.74 120.64 111.08 1pk8 n GLU 257 Ca 0.02 0.02 -0.41 0.00 -0.42 0.00 0.00 57.16 56.36 1pk8 n GLU 257 Cb 0.35 -1.54 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 1pk8 n GLU 257 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1pk8 s MET 258 N -3.03 3.25 -0.09 3.49 -1.94 0.13 -4.77 119.30 116.33 1pk8 s MET 258 Ca 0.10 -0.54 -0.01 0.00 -1.71 0.00 0.00 55.69 53.54 1pk8 s MET 258 Cb 0.17 -4.38 -0.05 0.00 2.01 0.00 0.00 34.83 32.57 1pk8 s MET 258 CO 0.69 -2.08 -0.09 1.28 -0.01 0.00 0.00 175.02 174.80 1pk8 n LEU 259 N 8.88 2.25 -3.86 -0.03 4.77 -1.26 -4.95 117.00 122.80 1pk8 n LEU 259 Ca 0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1pk8 n LEU 259 Cb 0.49 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1pk8 n LEU 259 CO 0.68 0.51 0.78 -0.94 -1.33 0.00 0.00 177.39 177.09 1pk8 s SER 260 N -5.19 -0.01 0.12 -1.43 1.04 -1.26 -4.81 113.70 102.16 1pk8 s SER 260 Ca -0.12 -0.69 0.07 0.00 0.48 0.00 0.00 55.95 55.68 1pk8 s SER 260 Cb 0.04 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1pk8 s SER 260 CO 0.19 -1.04 -0.16 -0.55 0.98 0.00 0.00 173.24 172.67 1pk8 s SER 261 N -3.33 2.15 0.02 7.02 0.15 -1.26 -5.05 113.70 113.40 1pk8 s SER 261 Ca 0.20 -0.77 -0.25 0.00 0.70 0.00 0.00 55.95 55.83 1pk8 s SER 261 Cb -0.03 -0.09 -0.18 0.00 -1.71 0.00 0.00 66.02 64.01 1pk8 s SER 261 CO 0.05 -0.08 1.44 0.71 1.20 0.00 0.00 173.24 176.56 1pk8 h THR 262 N 3.67 1.25 -3.76 6.45 1.35 -2.02 -3.46 112.91 116.39 1pk8 h THR 262 Ca -0.41 -0.73 -0.31 0.00 -0.55 0.00 0.00 66.41 64.40 1pk8 h THR 262 Cb 1.19 1.74 -0.15 0.00 -1.73 0.00 0.00 68.15 69.21 1pk8 h THR 262 CO 0.47 0.19 -0.65 0.42 -0.25 0.00 0.00 175.52 175.71 1pk8 s THR 263 N -4.95 0.65 0.08 6.82 -4.23 -1.26 -5.17 115.64 107.59 1pk8 s THR 263 Ca -0.15 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 1pk8 s THR 263 Cb 0.03 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1pk8 s THR 263 CO 0.67 -0.33 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.04 1pk8 s TYR 264 N -3.68 0.86 0.66 3.99 2.02 -1.26 -4.51 117.35 115.43 1pk8 s TYR 264 Ca 0.28 -0.77 -0.11 0.00 -0.37 0.00 0.00 57.07 56.10 1pk8 s TYR 264 Cb 0.07 -0.49 -0.01 0.00 -0.40 0.00 0.00 41.96 41.12 1pk8 s TYR 264 CO 0.07 -0.11 1.06 -1.25 -1.57 0.00 0.00 175.55 173.75 1pk8 s PRO 265 N -3.12 3.23 0.17 -1.71 0.04 -1.26 -5.00 135.00 127.35 1pk8 s PRO 265 Ca 0.05 0.64 0.06 0.00 0.04 0.00 0.00 61.00 61.80 1pk8 s PRO 265 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1pk8 s PRO 265 CO -0.03 -0.81 -0.13 0.14 0.04 0.00 0.00 177.00 176.21 1pk8 s VAL 266 N -3.25 1.49 -0.22 -0.36 -7.23 -0.17 -1.36 120.40 109.31 1pk8 s VAL 266 Ca 0.57 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1pk8 s VAL 266 Cb -0.11 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1pk8 s VAL 266 CO 0.53 -0.58 0.01 -0.69 -0.31 0.00 0.00 175.10 174.06 1pk8 s VAL 267 N -2.83 3.92 -0.15 1.32 1.01 0.70 -0.11 120.40 124.26 1pk8 s VAL 267 Ca 0.17 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 1pk8 s VAL 267 Cb -0.01 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1pk8 s VAL 267 CO 0.04 0.40 0.10 -0.69 0.00 0.00 0.00 175.10 174.96 1pk8 s VAL 268 N 1.26 5.18 -0.19 2.92 1.01 0.10 -1.63 120.40 129.06 1pk8 s VAL 268 Ca 0.04 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1pk8 s VAL 268 Cb -0.15 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 32.98 1pk8 s VAL 268 CO 0.01 0.54 -0.07 -0.54 0.00 0.00 0.00 175.10 175.03 1pk8 s LYS 269 N -0.33 1.71 -0.02 2.72 1.02 -0.39 -0.94 119.74 123.51 1pk8 s LYS 269 Ca 0.10 -0.70 -0.20 0.00 0.02 0.00 0.00 55.97 55.19 1pk8 s LYS 269 Cb -0.12 -2.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 1pk8 s LYS 269 CO 0.01 -0.44 0.59 -1.64 -0.92 0.00 0.00 175.35 172.95 1pk8 s MET 270 N 1.51 4.32 2.07 1.68 -1.94 -0.16 -1.50 119.30 125.28 1pk8 s MET 270 Ca -0.01 0.71 0.00 0.00 -1.71 0.00 0.00 55.69 54.69 1pk8 s MET 270 Cb -0.16 -3.35 0.00 0.00 2.01 0.00 0.00 34.83 33.33 1pk8 s MET 270 CO -0.08 0.34 0.00 0.41 -0.01 0.00 0.00 175.02 175.68 1pk8 n GLY 271 N 2.54 1.31 3.10 -0.03 0.00 -0.02 -4.29 105.19 107.79 1pk8 n GLY 271 Ca -0.07 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1pk8 n GLY 271 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pk8 s HIS 272 N 0.00 3.42 0.09 1.61 2.46 -1.26 -4.80 115.29 116.80 1pk8 s HIS 272 Ca 0.00 -2.35 -0.13 0.00 0.47 0.00 0.00 55.06 53.05 1pk8 s HIS 272 Cb 0.00 -2.37 0.02 0.00 -0.13 0.00 0.00 32.58 30.10 1pk8 s HIS 272 CO 0.00 -0.88 0.30 0.00 -2.47 0.00 0.00 174.74 171.68 1pk8 s ALA 273 N 1.11 -0.61 0.44 1.58 0.00 -1.26 -1.15 121.76 121.87 1pk8 s ALA 273 Ca -0.01 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.77 1pk8 s ALA 273 Cb -0.20 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 1pk8 s ALA 273 CO -0.04 -0.52 0.01 -1.01 0.00 0.00 0.00 175.76 174.20 1pk8 s HIS 274 N -3.41 2.24 -1.48 0.00 0.09 -1.26 -4.76 115.29 106.71 1pk8 s HIS 274 Ca 0.01 -0.80 -0.12 0.00 -0.00 0.00 0.00 55.06 54.15 1pk8 s HIS 274 Cb 0.02 -1.68 0.06 0.00 -0.00 0.00 0.00 32.58 30.98 1pk8 s HIS 274 CO -0.09 0.33 0.98 0.43 -0.00 0.00 0.00 174.74 176.39 1pk8 n SER 275 N -1.06 -5.30 0.00 1.40 7.64 -1.26 -1.90 113.62 113.14 1pk8 n SER 275 Ca -0.10 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1pk8 n SER 275 Cb 0.67 -4.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 1pk8 n SER 275 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pk8 n GLY 276 N -1.74 2.15 3.75 0.23 0.00 -1.26 -5.02 105.19 103.30 1pk8 n GLY 276 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1pk8 n GLY 276 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pk8 s MET 277 N -0.30 4.14 -0.43 1.61 -2.45 -0.80 -2.54 119.30 118.54 1pk8 s MET 277 Ca 0.00 2.54 0.00 0.00 -1.25 0.00 0.00 55.69 56.98 1pk8 s MET 277 Cb 0.00 -3.04 0.00 0.00 1.25 0.00 0.00 34.83 33.04 1pk8 s MET 277 CO 0.00 -0.62 0.00 0.41 1.05 0.00 0.00 175.02 175.86 1pk8 n GLY 278 N 2.42 0.65 3.26 2.11 0.00 -1.26 -4.52 105.19 107.85 1pk8 n GLY 278 Ca 0.09 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1pk8 n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk8 s LYS 279 N -1.71 3.20 0.07 1.61 1.02 -1.05 -0.98 119.74 121.90 1pk8 s LYS 279 Ca 0.00 -0.73 0.06 0.00 0.02 0.00 0.00 55.97 55.32 1pk8 s LYS 279 Cb 0.00 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.34 1pk8 s LYS 279 CO 0.00 -0.25 -0.17 0.14 -0.92 0.00 0.00 175.35 174.16 1pk8 s VAL 280 N 1.42 1.33 -0.13 3.17 -7.23 -0.12 -4.97 120.40 113.87 1pk8 s VAL 280 Ca 0.05 -1.33 -0.15 0.00 -1.81 0.00 0.00 61.98 58.74 1pk8 s VAL 280 Cb -0.15 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.51 1pk8 s VAL 280 CO -0.05 -0.11 0.35 -0.75 -0.31 0.00 0.00 175.10 174.23 1pk8 s LYS 281 N -1.67 4.21 -0.19 4.82 2.20 -1.26 0.01 119.74 127.86 1pk8 s LYS 281 Ca 0.02 0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.86 1pk8 s LYS 281 Cb -0.10 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.86 1pk8 s LYS 281 CO 0.03 0.29 -0.16 0.08 -0.36 0.00 0.00 175.35 175.23 1pk8 s VAL 282 N 0.27 1.90 -1.25 4.02 1.01 0.84 -4.97 120.40 122.23 1pk8 s VAL 282 Ca 0.20 -0.99 0.25 0.00 0.00 0.00 0.00 61.98 61.44 1pk8 s VAL 282 Cb -0.14 -1.82 0.09 0.00 0.00 0.00 0.00 36.38 34.51 1pk8 s VAL 282 CO 0.07 0.38 1.46 0.47 0.00 0.00 0.00 175.10 177.47 1pk8 n ASP 283 N 4.63 0.68 -3.70 3.32 8.00 -1.26 -0.99 116.55 127.24 1pk8 n ASP 283 Ca -0.18 -0.47 -0.06 0.00 0.71 0.00 0.00 54.79 54.78 1pk8 n ASP 283 Cb 0.48 0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.79 1pk8 n ASP 283 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pk8 s ASN 284 N -2.83 -0.28 0.16 -2.24 2.20 -1.26 -4.62 114.94 106.06 1pk8 s ASN 284 Ca 0.15 -0.34 -0.25 0.00 -0.94 0.00 0.00 52.86 51.49 1pk8 s ASN 284 Cb 0.18 0.55 0.04 0.00 -2.00 0.00 0.00 41.25 40.02 1pk8 s ASN 284 CO 0.64 -0.98 1.58 -0.61 -2.94 0.00 0.00 177.10 174.79 1pk8 h GLN 285 N 2.00 -0.27 -0.61 3.55 5.75 -1.97 0.58 115.11 124.14 1pk8 h GLN 285 Ca -0.24 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.36 1pk8 h GLN 285 Cb 1.25 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.80 1pk8 h GLN 285 CO 0.27 -0.18 0.28 0.45 -2.65 0.00 0.00 178.83 177.01 1pk8 h HIS 286 N -0.28 0.50 -0.36 3.99 3.86 -1.98 -0.56 115.15 120.33 1pk8 h HIS 286 Ca 0.16 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.31 1pk8 h HIS 286 Cb 0.57 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1pk8 h HIS 286 CO -0.61 0.19 -0.15 -0.44 0.86 0.00 0.00 177.93 177.78 1pk8 h ASP 287 N 0.51 0.64 -0.18 2.45 5.19 -1.78 -1.85 116.42 121.40 1pk8 h ASP 287 Ca 0.29 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1pk8 h ASP 287 Cb 0.29 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 1pk8 h ASP 287 CO -0.24 0.81 0.11 0.15 -3.12 0.00 0.00 179.24 176.95 1pk8 h PHE 288 N 0.58 0.22 -0.69 4.55 3.57 0.03 0.21 116.94 125.41 1pk8 h PHE 288 Ca 0.10 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1pk8 h PHE 288 Cb 0.59 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1pk8 h PHE 288 CO 0.03 0.15 0.46 1.96 -2.23 0.00 0.00 178.31 178.68 1pk8 h GLN 289 N 0.23 0.91 -0.16 1.11 4.20 -0.85 0.28 115.11 120.83 1pk8 h GLN 289 Ca 0.06 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1pk8 h GLN 289 Cb -0.01 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 1pk8 h GLN 289 CO -0.01 0.60 -0.14 -0.44 -0.67 0.00 0.00 178.83 178.17 1pk8 h ASP 290 N 0.94 0.40 -0.49 1.46 3.32 -0.66 -2.25 116.42 119.13 1pk8 h ASP 290 Ca 0.25 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1pk8 h ASP 290 Cb -0.11 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1pk8 h ASP 290 CO -0.05 0.78 0.25 0.40 -1.72 0.00 0.00 179.24 178.89 1pk8 h ILE 291 N 0.02 1.18 -0.50 0.35 1.08 0.01 -1.39 117.51 118.27 1pk8 h ILE 291 Ca 0.03 -0.51 -0.07 0.00 -0.39 0.00 0.00 64.86 63.92 1pk8 h ILE 291 Cb 0.66 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 1pk8 h ILE 291 CO 0.04 0.21 0.03 0.00 -0.69 0.00 0.00 178.15 177.73 1pk8 h ALA 292 N 1.53 1.10 0.00 1.87 0.00 -0.35 -1.42 119.26 122.00 1pk8 h ALA 292 Ca 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1pk8 h ALA 292 Cb 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1pk8 h ALA 292 CO -0.02 0.58 -0.16 0.66 0.00 0.00 0.00 179.25 180.31 1pk8 h SER 293 N 0.78 0.00 0.75 0.00 4.64 -0.65 -1.42 113.55 117.64 1pk8 h SER 293 Ca 0.15 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.25 1pk8 h SER 293 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1pk8 h SER 293 CO 0.02 0.16 -1.04 0.58 -0.87 0.00 0.00 176.83 175.67 1pk8 h VAL 294 N 0.00 1.58 -0.38 0.95 2.07 -0.76 -3.15 116.25 116.56 1pk8 h VAL 294 Ca -0.00 -3.05 -0.02 0.00 0.82 0.00 0.00 66.70 64.44 1pk8 h VAL 294 Cb 0.42 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1pk8 h VAL 294 CO 0.02 0.88 0.15 0.58 0.02 0.00 0.00 177.57 179.22 1pk8 h VAL 295 N 0.06 1.15 -0.65 2.57 2.07 -0.29 -1.47 116.25 119.68 1pk8 h VAL 295 Ca -0.06 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.00 1pk8 h VAL 295 Cb 1.75 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1pk8 h VAL 295 CO 0.16 0.19 0.43 0.00 0.02 0.00 0.00 177.57 178.36 1pk8 h ALA 296 N 1.62 1.60 0.00 1.67 0.00 -1.41 -1.26 119.26 121.48 1pk8 h ALA 296 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pk8 h ALA 296 Cb 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1pk8 h ALA 296 CO -0.01 0.34 0.00 -0.07 0.00 0.00 0.00 179.25 179.51 1pk8 h LEU 297 N 0.82 0.00 0.00 0.00 3.38 -1.35 -2.29 115.31 115.87 1pk8 h LEU 297 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1pk8 h LEU 297 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1pk8 h LEU 297 CO -0.07 0.00 -0.05 0.71 0.09 0.00 0.00 178.44 179.12 1pk8 h THR 298 N 0.00 0.00 -3.80 0.22 1.35 -1.07 -3.47 112.91 106.14 1pk8 h THR 298 Ca 0.00 -0.96 -0.33 0.00 -0.55 0.00 0.00 66.41 64.57 1pk8 h THR 298 Cb 0.75 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 1pk8 h THR 298 CO 0.00 0.00 -0.44 0.29 -0.25 0.00 0.00 175.52 175.12 1pk8 n LYS 299 N -3.02 -2.46 -1.63 4.72 5.02 -0.86 -4.94 118.16 114.99 1pk8 n LYS 299 Ca 0.04 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 1pk8 n LYS 299 Cb 0.52 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 1pk8 n LYS 299 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1pk8 n THR 300 N -3.75 0.00 -2.14 -0.18 5.66 -1.26 -5.09 114.28 107.52 1pk8 n THR 300 Ca -0.16 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.57 1pk8 n THR 300 Cb 0.63 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.54 1pk8 n THR 300 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1pk8 s TYR 301 N -1.65 2.10 0.16 1.09 -0.85 -1.24 -4.38 117.35 112.58 1pk8 s TYR 301 Ca 0.00 0.27 -0.23 0.00 -0.52 0.00 0.00 57.07 56.59 1pk8 s TYR 301 Cb 0.00 -3.56 0.07 0.00 0.38 0.00 0.00 41.96 38.85 1pk8 s TYR 301 CO 0.00 -2.02 0.65 0.00 -1.52 0.00 0.00 175.55 172.67 1pk8 s ALA 302 N -3.52 -1.57 0.19 9.51 0.00 -0.88 -0.84 121.76 124.64 1pk8 s ALA 302 Ca 0.67 0.43 0.05 0.00 0.00 0.00 0.00 51.96 53.11 1pk8 s ALA 302 Cb -0.07 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 1pk8 s ALA 302 CO 0.48 -0.80 -0.08 0.95 0.00 0.00 0.00 175.76 176.31 1pk8 s THR 303 N -3.70 1.28 0.00 0.00 -4.23 -0.56 -1.08 115.64 107.35 1pk8 s THR 303 Ca 0.03 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1pk8 s THR 303 Cb -0.02 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 1pk8 s THR 303 CO -0.10 -0.59 -0.03 0.00 -0.54 0.00 0.00 174.62 173.37 1pk8 s ALA 304 N -3.26 0.21 0.05 3.99 0.00 -0.74 -1.26 121.76 120.75 1pk8 s ALA 304 Ca 0.21 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 1pk8 s ALA 304 Cb 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1pk8 s ALA 304 CO 0.04 0.02 0.26 -1.83 0.00 0.00 0.00 175.76 174.25 1pk8 s GLU 305 N -0.34 0.79 0.33 0.00 -1.05 -0.64 -0.58 118.70 117.20 1pk8 s GLU 305 Ca -0.02 -0.59 -0.29 0.00 -0.15 0.00 0.00 54.97 53.92 1pk8 s GLU 305 Cb -0.03 0.33 -0.12 0.00 -0.44 0.00 0.00 34.13 33.88 1pk8 s GLU 305 CO -0.00 -0.25 1.44 -2.30 0.95 0.00 0.00 175.26 175.10 1pk8 n PRO 306 N 0.53 2.45 -2.57 -4.83 -0.02 -1.24 -0.21 135.00 129.10 1pk8 n PRO 306 Ca -0.18 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1pk8 n PRO 306 Cb 0.60 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1pk8 n PRO 306 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1pk8 s PHE 307 N -0.75 3.42 -0.22 6.00 5.36 -0.47 -4.59 117.98 126.73 1pk8 s PHE 307 Ca 0.58 1.44 -0.11 0.00 -0.96 0.00 0.00 56.93 57.87 1pk8 s PHE 307 Cb -0.53 -3.29 -0.05 0.00 -0.34 0.00 0.00 43.02 38.81 1pk8 s PHE 307 CO 0.58 -0.74 0.20 0.42 -1.46 0.00 0.00 175.22 174.23 1pk8 s ILE 308 N 1.70 5.34 -1.00 3.12 -1.09 -1.26 -4.85 121.20 123.15 1pk8 s ILE 308 Ca 0.54 0.29 -0.22 0.00 -2.23 0.00 0.00 60.65 59.02 1pk8 s ILE 308 Cb -0.23 -3.54 0.07 0.00 -1.58 0.00 0.00 42.46 37.18 1pk8 s ILE 308 CO 0.23 0.35 1.37 -0.62 -1.23 0.00 0.00 174.94 175.05 1pk8 s ASP 309 N 0.89 6.54 0.19 3.58 2.15 -1.26 -4.96 116.67 123.81 1pk8 s ASP 309 Ca 0.10 -1.63 -0.22 0.00 0.43 0.00 0.00 52.55 51.23 1pk8 s ASP 309 Cb -0.13 -2.52 -0.08 0.00 -0.30 0.00 0.00 42.92 39.88 1pk8 s ASP 309 CO 0.04 -1.38 0.73 0.00 -0.17 0.00 0.00 175.17 174.39 1pk8 s ALA 310 N 4.35 3.44 -0.18 3.66 0.00 -1.26 -1.16 121.76 130.59 1pk8 s ALA 310 Ca 0.43 0.23 0.18 0.00 0.00 0.00 0.00 51.96 52.79 1pk8 s ALA 310 Cb -0.01 -2.86 -0.00 0.00 0.00 0.00 0.00 23.12 20.25 1pk8 s ALA 310 CO -0.09 0.32 1.13 -0.22 0.00 0.00 0.00 175.76 176.89 1pk8 h LYS 311 N 3.81 0.00 0.00 0.00 3.64 -0.60 -3.44 116.57 119.99 1pk8 h LYS 311 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1pk8 h LYS 311 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1pk8 h LYS 311 CO 0.65 0.27 0.00 2.48 -2.27 0.00 0.00 179.45 180.58 1pk8 n TYR 312 N -2.97 0.00 -4.38 1.91 0.18 -1.20 -4.85 117.16 105.85 1pk8 n TYR 312 Ca -0.03 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.49 1pk8 n TYR 312 Cb 0.72 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.57 1pk8 n TYR 312 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1pk8 s ASP 313 N 0.00 3.71 0.09 9.48 1.47 -0.83 -0.27 116.67 130.32 1pk8 s ASP 313 Ca 0.00 -0.79 0.06 0.00 1.18 0.00 0.00 52.55 53.00 1pk8 s ASP 313 Cb 0.00 -0.41 -0.03 0.00 -0.34 0.00 0.00 42.92 42.14 1pk8 s ASP 313 CO 0.00 0.11 -0.16 -0.69 0.68 0.00 0.00 175.17 175.10 1pk8 s VAL 314 N -1.75 1.36 -0.09 2.11 1.01 0.12 -1.23 120.40 121.92 1pk8 s VAL 314 Ca 0.23 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1pk8 s VAL 314 Cb -0.08 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1pk8 s VAL 314 CO 0.12 -0.20 -0.08 -0.60 0.00 0.00 0.00 175.10 174.34 1pk8 s ARG 315 N -1.96 1.38 -0.25 2.72 3.52 -0.60 -0.07 118.95 123.69 1pk8 s ARG 315 Ca 0.03 -0.24 -0.08 0.00 -0.13 0.00 0.00 55.73 55.31 1pk8 s ARG 315 Cb -0.09 -1.37 -0.03 0.00 -1.56 0.00 0.00 34.95 31.90 1pk8 s ARG 315 CO 0.03 -0.17 0.09 0.08 -0.81 0.00 0.00 175.30 174.53 1pk8 s VAL 316 N 1.35 4.52 0.31 7.11 1.01 0.11 -1.63 120.40 133.18 1pk8 s VAL 316 Ca -0.02 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1pk8 s VAL 316 Cb -0.14 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1pk8 s VAL 316 CO -0.04 0.33 0.13 0.00 0.00 0.00 0.00 175.10 175.53 1pk8 s GLN 317 N 1.59 2.48 -0.23 2.72 -2.07 0.08 -0.12 119.66 124.09 1pk8 s GLN 317 Ca 0.06 -1.41 -0.04 0.00 -1.82 0.00 0.00 55.36 52.15 1pk8 s GLN 317 Cb -0.15 -2.27 0.12 0.00 -1.09 0.00 0.00 33.01 29.63 1pk8 s GLN 317 CO 0.05 0.21 0.39 0.21 -1.32 0.00 0.00 175.29 174.83 1pk8 s LYS 318 N -3.82 0.34 -0.25 9.60 2.20 -0.35 -2.75 119.74 124.71 1pk8 s LYS 318 Ca 0.36 0.65 -0.00 0.00 -0.36 0.00 0.00 55.97 56.61 1pk8 s LYS 318 Cb -0.05 -0.29 0.04 0.00 -1.51 0.00 0.00 37.83 36.02 1pk8 s LYS 318 CO 0.23 -0.56 -0.08 0.42 -0.36 0.00 0.00 175.35 175.00 1pk8 s ILE 319 N 2.56 2.64 0.00 5.43 1.01 -0.31 -2.07 121.20 130.46 1pk8 s ILE 319 Ca 0.10 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1pk8 s ILE 319 Cb -0.15 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.93 1pk8 s ILE 319 CO -0.15 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.53 1pk8 n GLY 320 N 4.60 2.73 0.60 6.18 0.00 -0.50 -0.27 105.19 118.53 1pk8 n GLY 320 Ca -0.16 0.30 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1pk8 n GLY 320 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pk8 n GLN 321 N 6.44 2.88 -3.62 1.61 1.13 -1.26 -4.99 117.38 119.56 1pk8 n GLN 321 Ca 0.00 -2.07 -0.37 0.00 -1.94 0.00 0.00 57.00 52.62 1pk8 n GLN 321 Cb 0.00 -1.29 -0.07 0.00 0.11 0.00 0.00 30.24 28.99 1pk8 n GLN 321 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1pk8 s ASN 322 N -1.09 6.45 0.09 1.08 3.84 0.62 -5.09 114.94 120.85 1pk8 s ASN 322 Ca 0.23 0.53 0.10 0.00 0.21 0.00 0.00 52.86 53.93 1pk8 s ASN 322 Cb 0.13 -2.16 -0.03 0.00 -0.55 0.00 0.00 41.25 38.64 1pk8 s ASN 322 CO 0.14 0.20 -0.26 -0.31 -2.79 0.00 0.00 177.10 174.08 1pk8 s TYR 323 N -0.06 2.29 -0.09 0.43 1.51 -1.26 -1.17 117.35 119.00 1pk8 s TYR 323 Ca 0.16 -0.40 -0.14 0.00 -1.01 0.00 0.00 57.07 55.68 1pk8 s TYR 323 Cb -0.13 -1.30 0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1pk8 s TYR 323 CO 0.04 0.23 0.36 0.15 -1.11 0.00 0.00 175.55 175.22 1pk8 s LYS 324 N -1.66 0.53 -0.08 -0.62 1.02 -1.11 -5.00 119.74 112.82 1pk8 s LYS 324 Ca 0.13 0.25 0.03 0.00 0.02 0.00 0.00 55.97 56.40 1pk8 s LYS 324 Cb -0.10 0.25 0.01 0.00 -0.52 0.00 0.00 37.83 37.46 1pk8 s LYS 324 CO 0.04 -0.11 -0.19 0.00 -0.92 0.00 0.00 175.35 174.18 1pk8 s ALA 325 N -0.38 1.76 -0.03 5.17 0.00 -1.26 -0.75 121.76 126.27 1pk8 s ALA 325 Ca -0.05 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.25 1pk8 s ALA 325 Cb -0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1pk8 s ALA 325 CO 0.02 0.22 -0.24 0.71 0.00 0.00 0.00 175.76 176.47 1pk8 s TYR 326 N 0.45 2.22 -0.24 0.00 2.02 -0.65 -0.92 117.35 120.23 1pk8 s TYR 326 Ca -0.16 -0.50 -0.05 0.00 -0.37 0.00 0.00 57.07 55.99 1pk8 s TYR 326 Cb -0.17 -1.44 -0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1pk8 s TYR 326 CO 0.06 -0.10 -0.01 1.41 -1.57 0.00 0.00 175.55 175.35 1pk8 s MET 327 N -0.42 3.30 -0.13 -0.62 -2.45 0.40 -1.55 119.30 117.82 1pk8 s MET 327 Ca 0.05 -0.69 -0.03 0.00 -1.25 0.00 0.00 55.69 53.77 1pk8 s MET 327 Cb -0.11 -3.12 -0.03 0.00 1.25 0.00 0.00 34.83 32.83 1pk8 s MET 327 CO 0.01 -0.27 -0.02 0.50 1.05 0.00 0.00 175.02 176.29 1pk8 s ARG 328 N 1.48 3.43 -0.18 4.11 3.52 -0.37 -1.17 118.95 129.78 1pk8 s ARG 328 Ca 0.05 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.13 1pk8 s ARG 328 Cb -0.15 -2.89 0.08 0.00 -1.56 0.00 0.00 34.95 30.43 1pk8 s ARG 328 CO -0.01 0.41 0.18 -0.08 -0.81 0.00 0.00 175.30 174.99 1pk8 s THR 329 N -0.09 -0.26 0.00 4.11 -1.32 -1.26 -1.96 115.64 114.85 1pk8 s THR 329 Ca 0.03 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1pk8 s THR 329 Cb -0.13 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1pk8 s THR 329 CO 0.02 -0.18 0.00 1.87 -2.21 0.00 0.00 174.62 174.13 1pk8 n TRP 335 N 5.31 0.00 -2.89 9.09 -0.00 -1.26 -4.71 117.44 122.98 1pk8 n TRP 335 Ca -0.06 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.01 1pk8 n TRP 335 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.76 1pk8 n TRP 335 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1pk8 s LYS 336 N 0.00 3.27 -0.25 5.87 1.02 -1.26 -5.11 119.74 123.28 1pk8 s LYS 336 Ca 0.00 -0.44 -0.11 0.00 0.02 0.00 0.00 55.97 55.44 1pk8 s LYS 336 Cb 0.00 -4.08 0.09 0.00 -0.52 0.00 0.00 37.83 33.32 1pk8 s LYS 336 CO 0.00 -1.49 0.57 -0.51 -0.92 0.00 0.00 175.35 173.00 1pk8 s LEU 344 N 3.75 -0.76 -0.14 3.17 1.43 -1.26 -5.17 118.68 119.70 1pk8 s LEU 344 Ca 0.27 1.30 -0.04 0.00 -1.03 0.00 0.00 54.13 54.63 1pk8 s LEU 344 Cb -0.14 1.95 0.07 0.00 0.03 0.00 0.00 46.19 48.10 1pk8 s LEU 344 CO 0.17 -0.22 0.24 -0.70 0.23 0.00 0.00 176.35 176.07 1pk8 s GLU 345 N 2.10 0.15 0.21 1.70 2.12 -0.32 -4.99 118.70 119.66 1pk8 s GLU 345 Ca -0.07 0.61 -0.30 0.00 0.36 0.00 0.00 54.97 55.56 1pk8 s GLU 345 Cb -0.09 -0.31 -0.09 0.00 0.26 0.00 0.00 34.13 33.90 1pk8 s GLU 345 CO -0.17 -0.37 1.28 -1.14 -0.54 0.00 0.00 175.26 174.31 1pk8 s GLN 346 N 2.39 4.42 0.35 4.30 0.74 -1.26 -0.46 119.66 130.14 1pk8 s GLN 346 Ca 0.03 2.02 0.01 0.00 0.05 0.00 0.00 55.36 57.47 1pk8 s GLN 346 Cb -0.13 -3.20 0.01 0.00 1.10 0.00 0.00 33.01 30.79 1pk8 s GLN 346 CO -0.09 -0.20 0.07 0.44 -0.55 0.00 0.00 175.29 174.96 1pk8 n ILE 347 N 2.44 0.00 -2.92 -2.34 -5.35 -0.10 -4.89 119.36 106.20 1pk8 n ILE 347 Ca 0.05 -1.60 -0.37 0.00 -0.27 0.00 0.00 62.75 60.56 1pk8 n ILE 347 Cb 0.43 0.20 -0.06 0.00 -1.74 0.00 0.00 39.64 38.47 1pk8 n ILE 347 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pk8 s ALA 348 N -2.58 3.32 0.48 -1.28 0.00 -1.26 -4.27 121.76 116.15 1pk8 s ALA 348 Ca 0.05 0.38 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 1pk8 s ALA 348 Cb -0.00 -3.02 -0.08 0.00 0.00 0.00 0.00 23.12 20.01 1pk8 s ALA 348 CO 0.03 0.25 1.05 -1.64 0.00 0.00 0.00 175.76 175.46 1pk8 s MET 349 N -1.89 3.82 0.30 0.00 -1.94 -1.26 -4.87 119.30 113.46 1pk8 s MET 349 Ca 0.46 1.43 0.05 0.00 -1.71 0.00 0.00 55.69 55.91 1pk8 s MET 349 Cb -0.19 -2.17 -0.06 0.00 2.01 0.00 0.00 34.83 34.42 1pk8 s MET 349 CO 0.23 -0.43 0.02 -1.54 -0.01 0.00 0.00 175.02 173.29 1pk8 s SER 350 N -1.86 2.45 0.32 3.03 1.04 -1.26 -5.02 113.70 112.40 1pk8 s SER 350 Ca 0.66 -1.31 0.06 0.00 0.48 0.00 0.00 55.95 55.84 1pk8 s SER 350 Cb -0.19 -0.10 0.53 0.00 0.10 0.00 0.00 66.02 66.36 1pk8 s SER 350 CO 0.22 -0.52 1.78 0.44 0.98 0.00 0.00 173.24 176.14 1pk8 h ASP 351 N 2.19 0.35 0.17 7.02 3.32 -1.99 -1.73 116.42 125.75 1pk8 h ASP 351 Ca -0.40 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1pk8 h ASP 351 Cb 1.24 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1pk8 h ASP 351 CO 0.69 0.60 -0.08 -0.09 -1.72 0.00 0.00 179.24 178.64 1pk8 h ARG 352 N 0.32 -0.22 -0.69 3.56 2.43 -1.97 -1.84 114.38 115.96 1pk8 h ARG 352 Ca 0.05 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1pk8 h ARG 352 Cb 0.61 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1pk8 h ARG 352 CO 0.04 -0.04 0.37 1.88 -1.51 0.00 0.00 179.97 180.71 1pk8 h TYR 353 N -0.35 0.94 -0.52 2.20 0.05 -1.92 -2.27 116.97 115.10 1pk8 h TYR 353 Ca -0.02 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 1pk8 h TYR 353 Cb 0.28 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1pk8 h TYR 353 CO -0.03 0.66 0.07 -0.22 -1.05 0.00 0.00 178.16 177.60 1pk8 h LYS 354 N 0.97 0.83 -0.33 4.88 3.64 -1.14 -2.60 116.57 122.81 1pk8 h LYS 354 Ca 0.25 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1pk8 h LYS 354 Cb 0.04 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1pk8 h LYS 354 CO -0.04 0.78 -0.01 1.25 -2.27 0.00 0.00 179.45 179.17 1pk8 h LEU 355 N 0.79 0.58 0.06 5.20 5.85 -0.83 0.41 115.31 127.37 1pk8 h LEU 355 Ca 0.16 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1pk8 h LEU 355 Cb 0.37 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1pk8 h LEU 355 CO 0.01 0.75 -0.39 -0.50 -0.34 0.00 0.00 178.44 177.98 1pk8 h TRP 356 N 0.40 -1.08 -0.01 1.25 6.55 -1.14 -1.06 115.95 120.86 1pk8 h TRP 356 Ca 0.09 0.03 -0.17 0.00 0.95 0.00 0.00 58.89 59.79 1pk8 h TRP 356 Cb 0.46 0.47 -0.02 0.00 -0.86 0.00 0.00 29.16 29.21 1pk8 h TRP 356 CO 0.04 -0.48 -0.76 -0.24 -1.05 0.00 0.00 178.44 175.94 1pk8 h VAL 357 N -0.58 1.49 -0.46 1.49 3.04 -1.46 -2.24 116.25 117.52 1pk8 h VAL 357 Ca 0.04 -2.45 -0.04 0.00 -1.01 0.00 0.00 66.70 63.24 1pk8 h VAL 357 Cb 0.64 2.33 -0.02 0.00 -2.01 0.00 0.00 31.29 32.23 1pk8 h VAL 357 CO -0.26 0.71 0.14 0.44 -1.01 0.00 0.00 177.57 177.59 1pk8 h ASP 358 N 0.08 0.68 -0.49 3.17 3.32 -0.78 0.34 116.42 122.73 1pk8 h ASP 358 Ca -0.02 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.71 1pk8 h ASP 358 Cb 1.34 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1pk8 h ASP 358 CO 0.11 0.71 -0.12 0.71 -1.72 0.00 0.00 179.24 178.93 1pk8 h THR 359 N 0.61 1.27 -0.43 0.35 1.35 -1.19 -3.01 112.91 111.86 1pk8 h THR 359 Ca 0.15 -1.27 -0.10 0.00 -0.55 0.00 0.00 66.41 64.64 1pk8 h THR 359 Cb 0.28 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.75 1pk8 h THR 359 CO -0.00 0.44 -0.13 0.00 -0.25 0.00 0.00 175.52 175.57 1pk8 n SER 361 N -4.15 0.00 -0.04 0.00 3.41 0.09 -2.38 113.62 110.55 1pk8 n SER 361 Ca 0.01 0.47 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 1pk8 n SER 361 Cb 0.38 -0.48 0.21 0.00 -0.26 0.00 0.00 64.21 64.06 1pk8 n SER 361 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pk8 n GLU 362 N -1.48 0.13 -1.85 4.33 -0.58 -1.10 -0.20 120.64 119.89 1pk8 n GLU 362 Ca 0.02 -0.08 -0.34 0.00 -0.42 0.00 0.00 57.16 56.34 1pk8 n GLU 362 Cb 0.07 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.49 1pk8 n GLU 362 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1pk8 s ILE 363 N -2.93 3.01 -1.59 -3.67 -4.36 -1.00 -3.28 121.20 107.37 1pk8 s ILE 363 Ca 0.12 0.52 -0.15 0.00 -0.26 0.00 0.00 60.65 60.89 1pk8 s ILE 363 Cb 0.18 -3.09 0.11 0.00 1.25 0.00 0.00 42.46 40.91 1pk8 s ILE 363 CO 0.70 -0.24 0.89 0.49 0.24 0.00 0.00 174.94 177.02 1pk8 n PHE 364 N -2.12 -2.06 -0.40 1.37 3.72 -1.26 -1.27 117.46 115.43 1pk8 n PHE 364 Ca 0.11 0.86 0.00 0.00 -0.05 0.00 0.00 57.45 58.37 1pk8 n PHE 364 Cb 0.51 -3.59 0.00 0.00 -0.94 0.00 0.00 39.48 35.46 1pk8 n PHE 364 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pk8 n GLY 365 N -1.59 1.20 0.00 1.37 0.00 -1.24 -4.31 105.19 100.61 1pk8 n GLY 365 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1pk8 n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pk8 n GLY 366 N -2.00 2.70 3.43 -0.02 0.00 -0.39 -5.04 105.19 103.86 1pk8 n GLY 366 Ca 0.00 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 1pk8 n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pk8 s LEU 367 N 0.00 3.37 0.22 0.99 1.43 0.72 -4.64 118.68 120.77 1pk8 s LEU 367 Ca 0.00 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1pk8 s LEU 367 Cb 0.00 -1.90 0.20 0.00 0.03 0.00 0.00 46.19 44.52 1pk8 s LEU 367 CO 0.00 -0.03 1.57 0.44 0.23 0.00 0.00 176.35 178.56 1pk8 h ASP 368 N 8.20 0.55 -3.12 2.29 3.32 -1.91 -3.41 116.42 122.33 1pk8 h ASP 368 Ca -0.39 -0.27 -0.60 0.00 0.02 0.00 0.00 57.03 55.80 1pk8 h ASP 368 Cb 1.17 -0.16 -0.36 0.00 0.22 0.00 0.00 39.33 40.21 1pk8 h ASP 368 CO 0.58 0.94 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.58 1pk8 s ILE 369 N -4.10 1.54 0.28 0.35 1.01 -1.26 -1.41 121.20 117.60 1pk8 s ILE 369 Ca -0.07 -0.62 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 1pk8 s ILE 369 Cb 0.12 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 41.15 1pk8 s ILE 369 CO 0.82 0.45 0.69 0.00 0.00 0.00 0.00 174.94 176.90 1pk8 s ALA 371 N -3.91 -1.07 -0.11 0.00 0.00 -0.72 -1.21 121.76 114.74 1pk8 s ALA 371 Ca 0.13 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.46 1pk8 s ALA 371 Cb -0.05 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.46 1pk8 s ALA 371 CO 0.07 -0.48 -0.22 0.08 0.00 0.00 0.00 175.76 175.21 1pk8 s VAL 372 N -2.59 1.97 -0.15 0.00 1.01 0.82 -0.88 120.40 120.59 1pk8 s VAL 372 Ca -0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 1pk8 s VAL 372 Cb -0.01 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1pk8 s VAL 372 CO -0.03 0.54 0.01 -1.61 0.00 0.00 0.00 175.10 174.01 1pk8 s GLU 373 N 0.51 3.62 0.05 2.72 2.02 -0.28 0.08 118.70 127.42 1pk8 s GLU 373 Ca -0.15 -0.43 0.02 0.00 0.02 0.00 0.00 54.97 54.43 1pk8 s GLU 373 Cb -0.17 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 1pk8 s GLU 373 CO 0.06 0.37 -0.07 0.00 0.02 0.00 0.00 175.26 175.63 1pk8 s ALA 374 N 0.06 0.59 -0.12 5.21 0.00 0.90 -1.50 121.76 126.90 1pk8 s ALA 374 Ca 0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1pk8 s ALA 374 Cb -0.13 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1pk8 s ALA 374 CO 0.02 -0.06 -0.05 -0.51 0.00 0.00 0.00 175.76 175.16 1pk8 s LEU 375 N -1.75 3.20 -0.42 0.00 1.43 0.15 0.10 118.68 121.39 1pk8 s LEU 375 Ca -0.08 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 1pk8 s LEU 375 Cb -0.08 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 44.45 1pk8 s LEU 375 CO -0.00 0.24 0.29 -2.28 0.23 0.00 0.00 176.35 174.83 1pk8 s HIS 376 N -0.08 3.27 0.61 0.29 5.65 0.62 -0.29 115.29 125.37 1pk8 s HIS 376 Ca 0.01 -1.05 -0.17 0.00 0.25 0.00 0.00 55.06 54.11 1pk8 s HIS 376 Cb -0.13 -2.81 -0.02 0.00 -1.18 0.00 0.00 32.58 28.44 1pk8 s HIS 376 CO 0.03 -0.74 1.11 0.20 -0.65 0.00 0.00 174.74 174.70 1pk8 s GLY 377 N 2.02 2.33 0.58 1.59 0.00 0.18 0.08 107.32 114.09 1pk8 s GLY 377 Ca 0.03 0.64 0.28 0.00 0.00 0.00 0.00 44.72 45.67 1pk8 s GLY 377 CO 0.06 0.99 2.03 0.50 0.00 0.00 0.00 173.10 176.68 1pk8 h LYS 378 N 0.47 0.00 -0.09 2.90 1.57 -1.44 0.30 116.57 120.28 1pk8 h LYS 378 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1pk8 h LYS 378 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1pk8 h LYS 378 CO 0.55 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.03 1pk8 n ASP 379 N -3.91 0.32 0.00 0.86 5.68 -1.26 -4.88 116.55 113.37 1pk8 n ASP 379 Ca 0.04 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1pk8 n ASP 379 Cb 0.45 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1pk8 n ASP 379 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pk8 n GLY 380 N 0.56 1.69 3.78 6.12 0.00 0.10 -5.03 105.19 112.42 1pk8 n GLY 380 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1pk8 n GLY 380 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pk8 s ARG 381 N -0.12 4.41 0.23 1.61 0.52 -1.25 -4.81 118.95 119.54 1pk8 s ARG 381 Ca 0.00 0.96 -0.06 0.00 -0.52 0.00 0.00 55.73 56.11 1pk8 s ARG 381 Cb 0.00 -3.28 -0.06 0.00 0.52 0.00 0.00 34.95 32.13 1pk8 s ARG 381 CO 0.00 0.51 0.49 -0.51 0.02 0.00 0.00 175.30 175.82 1pk8 s ASP 382 N -0.81 6.50 -0.17 0.23 1.01 -1.26 -0.65 116.67 121.53 1pk8 s ASP 382 Ca 0.34 0.72 -0.04 0.00 0.71 0.00 0.00 52.55 54.27 1pk8 s ASP 382 Cb -0.21 -2.14 0.07 0.00 1.01 0.00 0.00 42.92 41.65 1pk8 s ASP 382 CO 0.22 -0.08 0.14 -1.00 0.21 0.00 0.00 175.17 174.66 1pk8 s HIS 383 N -1.88 -0.02 -0.09 4.23 3.76 0.61 -4.81 115.29 117.08 1pk8 s HIS 383 Ca 0.44 -0.01 -0.30 0.00 -0.15 0.00 0.00 55.06 55.04 1pk8 s HIS 383 Cb -0.11 -0.52 -0.02 0.00 1.11 0.00 0.00 32.58 33.03 1pk8 s HIS 383 CO 0.26 -0.51 1.11 0.42 -0.85 0.00 0.00 174.74 175.17 1pk8 s ILE 384 N 2.22 4.52 -0.14 0.60 1.01 0.13 0.31 121.20 129.85 1pk8 s ILE 384 Ca 0.04 1.81 0.06 0.00 0.00 0.00 0.00 60.65 62.56 1pk8 s ILE 384 Cb -0.15 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 38.07 1pk8 s ILE 384 CO -0.10 -0.02 0.19 2.30 0.00 0.00 0.00 174.94 177.32 1pk8 n ILE 385 N 4.66 0.00 -3.52 2.92 -5.35 -0.56 -0.72 119.36 116.79 1pk8 n ILE 385 Ca 0.10 -0.25 -0.08 0.00 -0.27 0.00 0.00 62.75 62.25 1pk8 n ILE 385 Cb 0.47 0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 39.02 1pk8 n ILE 385 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1pk8 s GLU 386 N -2.00 0.74 -0.07 6.28 2.12 -1.17 -5.01 118.70 119.59 1pk8 s GLU 386 Ca -0.00 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.09 1pk8 s GLU 386 Cb 0.04 0.34 0.02 0.00 0.26 0.00 0.00 34.13 34.79 1pk8 s GLU 386 CO 0.25 -0.32 -0.10 0.54 -0.54 0.00 0.00 175.26 175.08 1pk8 s VAL 387 N -2.95 1.01 0.12 3.70 0.11 -1.26 -1.12 120.40 120.00 1pk8 s VAL 387 Ca 0.05 -0.39 0.06 0.00 -2.93 0.00 0.00 61.98 58.77 1pk8 s VAL 387 Cb -0.01 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1pk8 s VAL 387 CO -0.08 0.33 0.00 0.68 -3.33 0.00 0.00 175.10 172.70 1pk8 s VAL 388 N 0.85 3.93 0.00 2.04 -7.23 -0.06 -4.95 120.40 114.98 1pk8 s VAL 388 Ca -0.11 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1pk8 s VAL 388 Cb -0.15 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1pk8 s VAL 388 CO 0.02 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1pk8 n GLY 389 N 0.36 1.54 0.00 2.32 0.00 -1.26 -1.76 105.19 106.38 1pk8 n GLY 389 Ca -0.11 -1.66 0.04 0.00 0.00 0.00 0.00 46.02 44.29 1pk8 n GLY 389 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pk8 n SER 390 N 0.00 0.00 -0.83 1.61 3.41 -1.12 -2.23 113.62 114.46 1pk8 n SER 390 Ca 0.00 -1.08 0.09 0.00 -0.26 0.00 0.00 58.87 57.62 1pk8 n SER 390 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1pk8 n SER 390 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pk8 n SER 391 N -0.69 2.85 -4.67 4.04 3.41 -1.26 -4.20 113.62 113.09 1pk8 n SER 391 Ca 0.06 -1.84 -0.46 0.00 -0.26 0.00 0.00 58.87 56.37 1pk8 n SER 391 Cb 0.03 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 1pk8 n SER 391 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1pk8 n MET 392 N 1.06 2.19 -2.04 4.33 3.85 -0.95 -4.86 117.12 120.70 1pk8 n MET 392 Ca 0.13 0.79 -0.40 0.00 -1.00 0.00 0.00 57.70 57.22 1pk8 n MET 392 Cb 0.48 -2.58 -0.01 0.00 -1.05 0.00 0.00 33.22 30.06 1pk8 n MET 392 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1pk8 s PRO 393 N 1.37 4.19 0.01 3.17 0.04 -1.26 -4.98 135.00 137.54 1pk8 s PRO 393 Ca 0.80 2.26 -0.26 0.00 0.04 0.00 0.00 61.00 63.85 1pk8 s PRO 393 Cb -0.67 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 1pk8 s PRO 393 CO 0.39 -0.35 0.82 -0.51 0.04 0.00 0.00 177.00 177.39 1pk8 s LEU 394 N -2.05 4.40 0.31 -3.56 1.43 -1.26 -5.04 118.68 112.91 1pk8 s LEU 394 Ca 0.52 1.46 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 1pk8 s LEU 394 Cb -0.40 -3.31 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 1pk8 s LEU 394 CO 0.54 -0.09 0.08 0.27 0.23 0.00 0.00 176.35 177.38 1pk8 s ILE 395 N 0.40 0.89 0.00 -0.59 -4.36 -1.26 -4.94 121.20 111.34 1pk8 s ILE 395 Ca 0.42 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1pk8 s ILE 395 Cb -0.20 -2.70 0.00 0.00 1.25 0.00 0.00 42.46 40.81 1pk8 s ILE 395 CO 0.24 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.03 1pk8 n GLY 396 N -0.62 -1.76 0.00 6.27 0.00 -1.26 -4.18 105.19 103.64 1pk8 n GLY 396 Ca -0.02 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.77 1pk8 n GLY 396 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pk8 n ASP 397 N -0.04 0.00 -0.80 1.61 10.43 -1.26 -3.74 116.55 122.74 1pk8 n ASP 397 Ca 0.00 0.25 0.05 0.00 2.57 0.00 0.00 54.79 57.67 1pk8 n ASP 397 Cb 0.00 -0.38 0.22 0.00 1.84 0.00 0.00 41.12 42.80 1pk8 n ASP 397 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1pk8 n HIS 398 N -1.38 0.78 -0.30 1.24 8.25 -1.26 -4.72 115.22 117.82 1pk8 n HIS 398 Ca 0.06 -1.12 0.13 0.00 -0.26 0.00 0.00 57.72 56.53 1pk8 n HIS 398 Cb 0.16 -0.33 0.37 0.00 1.12 0.00 0.00 29.99 31.31 1pk8 n HIS 398 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1pk8 h GLN 399 N 1.21 0.67 -0.13 -0.41 4.20 -1.72 -0.32 115.11 118.61 1pk8 h GLN 399 Ca 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1pk8 h GLN 399 Cb 1.41 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1pk8 h GLN 399 CO 0.22 0.44 0.03 0.22 -0.67 0.00 0.00 178.83 179.07 1pk8 h ASP 400 N 0.69 0.19 -0.27 1.46 3.58 -1.92 -1.14 116.42 119.01 1pk8 h ASP 400 Ca 0.50 -0.24 0.03 0.00 0.42 0.00 0.00 57.03 57.74 1pk8 h ASP 400 Cb 0.86 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 1pk8 h ASP 400 CO -0.26 0.38 0.08 -0.08 -2.88 0.00 0.00 179.24 176.48 1pk8 h GLU 401 N -0.00 0.19 -0.75 0.28 4.81 -1.54 -1.69 114.58 115.88 1pk8 h GLU 401 Ca 0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1pk8 h GLU 401 Cb 0.27 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1pk8 h GLU 401 CO 0.00 0.13 0.48 -0.44 -0.73 0.00 0.00 179.01 178.45 1pk8 h ASP 402 N 0.20 0.87 -0.42 1.04 3.32 -0.98 0.14 116.42 120.59 1pk8 h ASP 402 Ca 0.12 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1pk8 h ASP 402 Cb 0.10 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1pk8 h ASP 402 CO -0.14 0.65 0.03 0.11 -1.72 0.00 0.00 179.24 178.17 1pk8 h LYS 403 N 1.02 0.72 -0.68 3.56 1.57 -0.77 0.18 116.57 122.18 1pk8 h LYS 403 Ca 0.27 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1pk8 h LYS 403 Cb -0.09 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1pk8 h LYS 403 CO -0.06 0.78 0.45 1.96 -0.57 0.00 0.00 179.45 182.02 1pk8 h GLN 404 N 0.57 0.89 -0.65 3.15 4.20 -0.67 0.18 115.11 122.78 1pk8 h GLN 404 Ca 0.12 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.80 1pk8 h GLN 404 Cb 0.43 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 1pk8 h GLN 404 CO 0.02 0.59 0.41 -0.07 -0.67 0.00 0.00 178.83 179.11 1pk8 h LEU 405 N 0.92 0.69 -0.65 1.46 3.38 -0.25 0.30 115.31 121.16 1pk8 h LEU 405 Ca 0.25 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1pk8 h LEU 405 Cb -0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1pk8 h LEU 405 CO -0.05 0.49 0.30 0.40 0.09 0.00 0.00 178.44 179.66 1pk8 h ILE 406 N 0.82 1.22 -0.04 1.22 2.04 0.20 0.34 117.51 123.32 1pk8 h ILE 406 Ca 0.25 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1pk8 h ILE 406 Cb -0.03 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1pk8 h ILE 406 CO -0.08 0.26 -0.03 0.58 0.00 0.00 0.00 178.15 178.88 1pk8 h VAL 407 N 0.90 0.90 -0.59 1.67 2.07 0.47 0.15 116.25 121.82 1pk8 h VAL 407 Ca 0.22 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.81 1pk8 h VAL 407 Cb 0.14 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1pk8 h VAL 407 CO -0.03 0.00 0.28 -0.33 0.02 0.00 0.00 177.57 177.51 1pk8 h GLU 408 N -0.04 0.50 0.23 1.57 5.08 -0.13 -0.23 114.58 121.55 1pk8 h GLU 408 Ca 0.03 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1pk8 h GLU 408 Cb 0.08 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1pk8 h GLU 408 CO -0.06 0.33 -0.29 1.25 -1.00 0.00 0.00 179.01 179.24 1pk8 h LEU 409 N 0.51 -0.80 -1.02 1.33 5.85 -0.21 -2.01 115.31 118.97 1pk8 h LEU 409 Ca 0.28 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1pk8 h LEU 409 Cb 0.25 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1pk8 h LEU 409 CO -0.22 -0.40 0.40 0.58 -0.34 0.00 0.00 178.44 178.46 1pk8 h VAL 410 N -0.57 1.24 -0.52 1.05 2.07 -0.38 -1.85 116.25 117.28 1pk8 h VAL 410 Ca 0.00 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1pk8 h VAL 410 Cb 0.55 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1pk8 h VAL 410 CO -0.10 0.27 0.30 0.58 0.02 0.00 0.00 177.57 178.65 1pk8 h VAL 411 N 1.09 1.17 -0.47 2.57 2.07 -0.88 0.13 116.25 121.94 1pk8 h VAL 411 Ca 0.27 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1pk8 h VAL 411 Cb 0.06 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1pk8 h VAL 411 CO -0.04 0.17 0.19 0.78 0.02 0.00 0.00 177.57 178.69 1pk8 h ASN 412 N 0.70 0.64 -0.77 0.57 2.35 -1.05 0.36 115.58 118.38 1pk8 h ASN 412 Ca 0.19 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1pk8 h ASN 412 Cb 0.01 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1pk8 h ASN 412 CO -0.03 0.63 0.28 0.11 -1.65 0.00 0.00 177.43 176.77 1pk8 h LYS 413 N 0.61 1.17 -0.49 0.81 1.79 -1.00 -2.55 116.57 116.90 1pk8 h LYS 413 Ca 0.16 -0.23 -0.07 0.00 -2.18 0.00 0.00 60.65 58.33 1pk8 h LYS 413 Cb 0.19 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1pk8 h LYS 413 CO -0.01 0.96 0.01 0.52 -1.08 0.00 0.00 179.45 179.85 1pk8 h MET 414 N 1.12 0.85 -0.81 3.15 2.86 -0.49 -2.82 114.93 118.80 1pk8 h MET 414 Ca 0.25 -0.26 0.18 0.00 -2.06 0.00 0.00 59.70 57.81 1pk8 h MET 414 Cb 0.25 -0.08 -0.12 0.00 0.06 0.00 0.00 31.60 31.71 1pk8 h MET 414 CO -0.02 0.89 0.27 1.15 1.06 0.00 0.00 176.91 180.26 1pk8 h THR 415 N 0.71 0.50 -0.64 2.22 2.02 -0.53 -2.97 112.91 114.22 1pk8 h THR 415 Ca 0.14 -0.11 -0.69 0.00 0.77 0.00 0.00 66.41 66.52 1pk8 h THR 415 Cb 0.49 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 1pk8 h THR 415 CO 0.02 0.06 2.45 0.00 0.37 0.00 0.00 175.52 178.42 1pk8 n GLN 416 N -5.11 3.11 0.00 6.66 6.02 -1.04 -5.00 117.38 122.02 1pk8 n GLN 416 Ca 0.17 -3.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.06 1pk8 n GLN 416 Cb 0.54 -3.44 0.00 0.00 1.02 0.00 0.00 30.24 28.36 1pk8 n GLN 416 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05