#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk8 s ALA 113 N 0.00 2.21 -0.16 0.00 0.00 -1.26 -4.70 121.76 117.86 1pk8 s ALA 113 Ca 0.00 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 1pk8 s ALA 113 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1pk8 s ALA 113 CO 0.00 -1.71 0.17 1.03 0.00 0.00 0.00 175.76 175.26 1pk8 s ARG 114 N -3.98 3.93 -0.22 0.00 1.81 0.25 -4.90 118.95 115.83 1pk8 s ARG 114 Ca 0.72 -0.11 -0.14 0.00 -1.72 0.00 0.00 55.73 54.48 1pk8 s ARG 114 Cb -0.26 -3.33 -0.04 0.00 -0.45 0.00 0.00 34.95 30.86 1pk8 s ARG 114 CO 0.44 0.47 0.30 0.08 -0.68 0.00 0.00 175.30 175.91 1pk8 s VAL 115 N -0.17 5.26 -0.17 3.52 1.01 -1.26 -0.68 120.40 127.92 1pk8 s VAL 115 Ca 0.12 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 1pk8 s VAL 115 Cb -0.12 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1pk8 s VAL 115 CO 0.02 0.28 -0.07 -0.22 0.00 0.00 0.00 175.10 175.11 1pk8 s LEU 116 N 1.26 2.93 -0.23 3.92 2.96 0.06 0.38 118.68 129.96 1pk8 s LEU 116 Ca 0.14 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 1pk8 s LEU 116 Cb -0.14 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1pk8 s LEU 116 CO 0.07 0.10 0.04 -0.22 -1.32 0.00 0.00 176.35 175.01 1pk8 s LEU 117 N 0.78 3.36 -0.22 -0.68 2.96 -0.50 -0.25 118.68 124.13 1pk8 s LEU 117 Ca -0.03 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1pk8 s LEU 117 Cb -0.15 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1pk8 s LEU 117 CO 0.02 0.01 0.03 -0.69 -1.32 0.00 0.00 176.35 174.40 1pk8 s VAL 118 N 1.33 4.14 -0.64 1.68 1.01 0.12 -1.10 120.40 126.95 1pk8 s VAL 118 Ca 0.05 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 1pk8 s VAL 118 Cb -0.15 -2.90 0.13 0.00 0.00 0.00 0.00 36.38 33.46 1pk8 s VAL 118 CO 0.02 0.39 0.68 -0.63 0.00 0.00 0.00 175.10 175.56 1pk8 s ILE 119 N 1.26 5.08 0.16 2.22 1.01 -0.10 -2.09 121.20 128.73 1pk8 s ILE 119 Ca 0.04 -1.45 -0.18 0.00 0.00 0.00 0.00 60.65 59.05 1pk8 s ILE 119 Cb -0.15 -4.46 0.04 0.00 0.01 0.00 0.00 42.46 37.91 1pk8 s ILE 119 CO 0.02 -1.06 0.49 -0.62 0.00 0.00 0.00 174.94 173.78 1pk8 s ASP 120 N 3.37 -0.33 0.87 3.58 -1.08 -0.94 -0.90 116.67 121.25 1pk8 s ASP 120 Ca 0.11 -0.29 -0.12 0.00 -0.52 0.00 0.00 52.55 51.73 1pk8 s ASP 120 Cb -0.22 0.54 0.11 0.00 -1.46 0.00 0.00 42.92 41.89 1pk8 s ASP 120 CO 0.01 -0.95 1.10 -1.83 0.52 0.00 0.00 175.17 174.03 1pk8 s GLU 121 N -3.81 1.47 0.58 4.34 -1.05 -1.26 -3.58 118.70 115.39 1pk8 s GLU 121 Ca 0.04 0.60 0.36 0.00 -0.15 0.00 0.00 54.97 55.83 1pk8 s GLU 121 Cb 0.00 -1.85 1.74 0.00 -0.44 0.00 0.00 34.13 33.59 1pk8 s GLU 121 CO -0.09 -2.04 2.13 -1.00 0.95 0.00 0.00 175.26 175.21 1pk8 h PRO 122 N -1.39 0.00 -1.16 -4.83 0.13 -1.98 -3.30 132.00 119.47 1pk8 h PRO 122 Ca -0.49 0.00 0.42 0.00 -0.87 0.00 0.00 66.00 65.06 1pk8 h PRO 122 Cb 1.29 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.27 1pk8 h PRO 122 CO 0.58 0.03 0.69 1.25 -0.23 0.00 0.00 178.00 180.32 1pk8 h HIS 123 N 0.00 0.70 -3.20 1.56 2.76 -2.06 -3.36 115.15 111.55 1pk8 h HIS 123 Ca -0.00 0.03 -0.64 0.00 -2.20 0.00 0.00 60.37 57.56 1pk8 h HIS 123 Cb 0.31 -0.17 -0.15 0.00 1.55 0.00 0.00 27.41 28.95 1pk8 h HIS 123 CO 0.00 -0.32 -0.58 0.99 -1.30 0.00 0.00 177.93 176.73 1pk8 s THR 124 N -5.44 4.68 -1.11 6.26 2.01 -1.24 -5.04 115.64 115.76 1pk8 s THR 124 Ca -0.09 -0.09 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 1pk8 s THR 124 Cb 0.32 -3.05 0.28 0.00 0.01 0.00 0.00 72.50 70.06 1pk8 s THR 124 CO 0.80 0.53 1.35 -0.67 -0.69 0.00 0.00 174.62 175.94 1pk8 n ASP 125 N 2.88 5.94 -0.21 3.53 2.03 -1.26 -4.87 116.55 124.59 1pk8 n ASP 125 Ca -0.18 -3.22 0.21 0.00 0.52 0.00 0.00 54.79 52.12 1pk8 n ASP 125 Cb 0.53 -1.34 0.56 0.00 -0.72 0.00 0.00 41.12 40.15 1pk8 n ASP 125 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1pk8 h TRP 126 N 6.03 0.40 -0.94 -0.67 4.06 -1.95 0.13 115.95 123.01 1pk8 h TRP 126 Ca 0.21 0.01 0.14 0.00 2.06 0.00 0.00 58.89 61.31 1pk8 h TRP 126 Cb 0.73 -0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 28.69 1pk8 h TRP 126 CO 0.92 0.11 0.60 0.00 -3.56 0.00 0.00 178.44 176.50 1pk8 h ALA 127 N 1.61 1.74 -0.02 1.49 0.00 -1.90 -0.71 119.26 121.46 1pk8 h ALA 127 Ca 0.45 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1pk8 h ALA 127 Cb 1.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1pk8 h ALA 127 CO -0.13 0.00 0.01 -0.22 0.00 0.00 0.00 179.25 178.91 1pk8 h LYS 128 N 0.78 0.03 0.00 0.00 3.64 -1.16 -1.93 116.57 117.93 1pk8 h LYS 128 Ca 0.48 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.80 1pk8 h LYS 128 Cb 0.69 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1pk8 h LYS 128 CO -0.24 0.17 -0.24 1.88 -2.27 0.00 0.00 179.45 178.75 1pk8 h TYR 129 N -0.11 0.00 0.00 1.91 0.05 -1.17 -2.62 116.97 115.03 1pk8 h TYR 129 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1pk8 h TYR 129 Cb 0.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.89 1pk8 h TYR 129 CO -0.03 0.24 -0.50 1.19 -1.05 0.00 0.00 178.16 178.02 1pk8 n PHE 130 N -4.12 0.15 -1.59 4.88 3.72 -0.40 -4.91 117.46 115.19 1pk8 n PHE 130 Ca -0.02 0.04 -0.49 0.00 -0.05 0.00 0.00 57.45 56.94 1pk8 n PHE 130 Cb 0.30 -0.38 -0.04 0.00 -0.94 0.00 0.00 39.48 38.42 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 -1.66 1.29 -0.54 -1.08 4.81 -0.73 -1.44 118.16 118.81 1pk8 n LYS 131 Ca 0.05 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1pk8 n LYS 131 Cb 0.36 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.41 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 2.12 1.44 3.70 3.14 0.00 -1.26 -4.99 105.19 109.34 1pk8 n GLY 132 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.12 4.44 0.15 1.61 -0.14 -0.52 -5.05 119.74 120.11 1pk8 s LYS 133 Ca 0.00 1.13 0.11 0.00 -1.36 0.00 0.00 55.97 55.85 1pk8 s LYS 133 Cb 0.00 -3.49 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 1pk8 s LYS 133 CO 0.00 -0.10 -0.25 0.15 -0.76 0.00 0.00 175.35 174.39 1pk8 s LYS 134 N 1.31 1.48 -0.17 1.68 1.02 -1.26 -3.99 119.74 119.81 1pk8 s LYS 134 Ca 0.43 -1.39 -0.15 0.00 0.02 0.00 0.00 55.97 54.88 1pk8 s LYS 134 Cb -0.19 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 1pk8 s LYS 134 CO 0.20 0.44 0.35 0.42 -0.92 0.00 0.00 175.35 175.83 1pk8 s ILE 135 N -1.28 5.26 -0.76 2.17 1.01 0.33 -4.11 121.20 123.81 1pk8 s ILE 135 Ca 0.17 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1pk8 s ILE 135 Cb -0.09 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1pk8 s ILE 135 CO 0.08 0.33 0.00 1.41 0.00 0.00 0.00 174.94 176.76 1pk8 n HIS 136 N 3.95 -0.08 0.00 3.97 8.25 -1.26 -2.34 115.22 127.71 1pk8 n HIS 136 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1pk8 n HIS 136 Cb 0.52 -2.26 0.00 0.00 1.12 0.00 0.00 29.99 29.36 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 0.33 2.65 0.00 -1.41 0.00 -1.26 -4.85 105.19 100.66 1pk8 n GLY 137 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.18 1.53 -3.15 1.61 0.00 -1.09 -4.91 120.64 114.46 1pk8 n GLU 138 Ca 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 57.16 56.74 1pk8 n GLU 138 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 31.44 31.15 1pk8 n GLU 138 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1pk8 s ILE 139 N -0.23 5.06 0.66 3.84 1.09 -0.99 -4.90 121.20 125.73 1pk8 s ILE 139 Ca 0.00 1.18 -0.09 0.00 -1.10 0.00 0.00 60.65 60.64 1pk8 s ILE 139 Cb 0.00 -3.93 0.01 0.00 -1.06 0.00 0.00 42.46 37.48 1pk8 s ILE 139 CO 0.00 0.18 1.02 -1.81 -0.10 0.00 0.00 174.94 174.22 1pk8 s ASP 140 N 1.03 5.50 -0.19 3.58 1.01 -1.26 -0.51 116.67 125.82 1pk8 s ASP 140 Ca 0.29 0.95 0.01 0.00 0.71 0.00 0.00 52.55 54.52 1pk8 s ASP 140 Cb -0.16 -1.83 0.03 0.00 1.01 0.00 0.00 42.92 41.98 1pk8 s ASP 140 CO 0.12 -1.23 -0.15 -0.63 0.21 0.00 0.00 175.17 173.49 1pk8 s ILE 141 N -3.21 1.88 -0.17 0.77 1.01 -1.26 -0.58 121.20 119.64 1pk8 s ILE 141 Ca 0.56 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 1pk8 s ILE 141 Cb -0.11 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1pk8 s ILE 141 CO 0.49 0.33 0.47 -0.75 0.00 0.00 0.00 174.94 175.47 1pk8 s LYS 142 N 1.32 4.24 -0.18 2.79 2.47 0.15 -4.93 119.74 125.59 1pk8 s LYS 142 Ca 0.01 0.37 -0.08 0.00 -1.56 0.00 0.00 55.97 54.70 1pk8 s LYS 142 Cb -0.15 -3.51 -0.04 0.00 -1.46 0.00 0.00 37.83 32.67 1pk8 s LYS 142 CO -0.10 -0.00 0.10 0.08 0.16 0.00 0.00 175.35 175.59 1pk8 s VAL 143 N 1.17 5.15 -0.10 4.02 1.01 -1.26 -0.76 120.40 129.63 1pk8 s VAL 143 Ca 0.23 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1pk8 s VAL 143 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1pk8 s VAL 143 CO 0.09 0.47 -0.21 -1.61 0.00 0.00 0.00 175.10 173.84 1pk8 s GLU 144 N 0.16 2.79 0.12 2.72 0.41 0.65 -4.89 118.70 120.66 1pk8 s GLU 144 Ca 0.07 -0.78 0.09 0.00 -0.41 0.00 0.00 54.97 53.93 1pk8 s GLU 144 Cb -0.12 -2.16 -0.04 0.00 -1.78 0.00 0.00 34.13 30.04 1pk8 s GLU 144 CO -0.00 0.11 -0.21 -1.14 -0.49 0.00 0.00 175.26 173.53 1pk8 s GLN 145 N 0.50 1.19 0.00 1.61 0.74 -1.26 0.12 119.66 122.56 1pk8 s GLN 145 Ca -0.16 -1.24 0.00 0.00 0.05 0.00 0.00 55.36 54.01 1pk8 s GLN 145 Cb -0.17 -1.45 0.00 0.00 1.10 0.00 0.00 33.01 32.49 1pk8 s GLN 145 CO 0.06 0.33 0.00 0.00 -0.55 0.00 0.00 175.29 175.13 1pk8 n ALA 146 N 0.88 0.00 -2.43 1.58 0.00 -0.89 -4.96 120.51 114.70 1pk8 n ALA 146 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.99 1pk8 n ALA 146 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 1pk8 n ALA 146 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1pk8 s GLU 147 N -2.00 3.59 0.23 0.00 2.02 -1.23 -2.21 118.70 119.10 1pk8 s GLU 147 Ca 0.00 0.06 -0.09 0.00 0.02 0.00 0.00 54.97 54.96 1pk8 s GLU 147 Cb 0.00 -2.53 0.38 0.00 0.10 0.00 0.00 34.13 32.08 1pk8 s GLU 147 CO 0.00 0.04 1.65 0.74 0.02 0.00 0.00 175.26 177.71 1pk8 h PHE 148 N 0.98 -0.04 -0.13 1.61 0.04 -1.91 -0.99 116.94 116.50 1pk8 h PHE 148 Ca -0.48 0.05 0.04 0.00 2.80 0.00 0.00 57.97 60.38 1pk8 h PHE 148 Cb 1.20 0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 1pk8 h PHE 148 CO 0.57 -0.20 0.22 0.66 -0.60 0.00 0.00 178.31 178.96 1pk8 h SER 149 N 0.11 0.00 -0.74 2.17 4.64 -1.94 -0.22 113.55 117.58 1pk8 h SER 149 Ca 0.37 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.40 1pk8 h SER 149 Cb 0.64 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.55 1pk8 h SER 149 CO -0.60 0.00 0.33 0.47 -0.87 0.00 0.00 176.83 176.16 1pk8 n ASP 150 N -3.44 4.07 -4.10 4.97 8.00 -0.38 -4.97 116.55 120.70 1pk8 n ASP 150 Ca 0.00 -3.42 -0.16 0.00 0.71 0.00 0.00 54.79 51.92 1pk8 n ASP 150 Cb 0.32 -0.75 -0.12 0.00 -0.02 0.00 0.00 41.12 40.55 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 -3.13 2.23 0.25 0.64 1.43 -0.10 0.66 118.68 120.66 1pk8 s LEU 151 Ca 0.53 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 1pk8 s LEU 151 Cb 0.44 -0.35 -0.01 0.00 0.03 0.00 0.00 46.19 46.30 1pk8 s LEU 151 CO 0.10 -0.10 0.45 0.21 0.23 0.00 0.00 176.35 177.24 1pk8 s ASN 152 N -1.43 -0.01 0.18 2.29 3.84 -0.43 -5.00 114.94 114.37 1pk8 s ASN 152 Ca -0.05 -1.01 -0.24 0.00 0.21 0.00 0.00 52.86 51.77 1pk8 s ASN 152 Cb -0.09 0.57 0.05 0.00 -0.55 0.00 0.00 41.25 41.24 1pk8 s ASN 152 CO 0.01 -1.13 0.87 -1.48 -2.79 0.00 0.00 177.10 172.58 1pk8 s LEU 153 N -3.05 -0.24 -0.02 3.21 0.05 -1.26 -0.05 118.68 117.33 1pk8 s LEU 153 Ca 0.25 -0.41 0.00 0.00 0.05 0.00 0.00 54.13 54.02 1pk8 s LEU 153 Cb 0.00 2.33 0.02 0.00 -2.05 0.00 0.00 46.19 46.49 1pk8 s LEU 153 CO 0.10 -1.01 0.01 -0.69 -0.55 0.00 0.00 176.35 174.21 1pk8 s VAL 154 N -3.47 0.08 -0.02 1.48 1.01 -0.60 -4.99 120.40 113.89 1pk8 s VAL 154 Ca 0.11 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.21 1pk8 s VAL 154 Cb -0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 1pk8 s VAL 154 CO 0.02 0.09 -0.11 0.00 0.00 0.00 0.00 175.10 175.10 1pk8 s ALA 155 N 0.75 0.95 -0.01 5.51 0.00 -1.26 -1.73 121.76 125.97 1pk8 s ALA 155 Ca -0.07 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.49 1pk8 s ALA 155 Cb -0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1pk8 s ALA 155 CO -0.02 0.20 -0.13 -1.01 0.00 0.00 0.00 175.76 174.80 1pk8 s HIS 156 N -0.10 2.71 0.48 0.00 3.76 -0.24 -4.98 115.29 116.91 1pk8 s HIS 156 Ca 0.01 -0.15 0.18 0.00 -0.15 0.00 0.00 55.06 54.95 1pk8 s HIS 156 Cb -0.06 -1.58 1.18 0.00 1.11 0.00 0.00 32.58 33.23 1pk8 s HIS 156 CO -0.00 0.25 2.01 0.00 -0.85 0.00 0.00 174.74 176.16 1pk8 h ALA 157 N 4.90 2.16 0.00 -1.40 0.00 -1.88 0.58 119.26 123.61 1pk8 h ALA 157 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1pk8 h ALA 157 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1pk8 h ALA 157 CO 0.50 -0.27 0.00 0.27 0.00 0.00 0.00 179.25 179.75 1pk8 n ASN 158 N -4.45 0.00 0.00 0.00 0.23 -1.26 -4.86 115.26 104.92 1pk8 n ASN 158 Ca 0.08 -0.44 0.00 0.00 -0.53 0.00 0.00 54.58 53.68 1pk8 n ASN 158 Cb 0.39 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 1pk8 n ASN 158 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pk8 n GLY 159 N 0.27 0.23 3.85 4.83 0.00 0.19 -5.08 105.19 109.49 1pk8 n GLY 159 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.76 1.91 0.00 -0.02 0.00 -1.25 -4.87 107.32 101.33 1pk8 s GLY 160 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1pk8 s GLY 160 CO 0.00 0.35 0.00 1.97 0.00 0.00 0.00 173.10 175.42 1pk8 n PHE 161 N -2.03 0.00 -3.72 1.90 -1.74 -1.26 -1.08 117.46 109.53 1pk8 n PHE 161 Ca 0.06 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.82 1pk8 n PHE 161 Cb 0.54 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.45 1pk8 n PHE 161 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1pk8 s SER 162 N 0.00 -0.42 -0.19 5.98 0.15 -0.70 -4.83 113.70 113.68 1pk8 s SER 162 Ca 0.00 0.71 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 1pk8 s SER 162 Cb 0.00 0.76 -0.01 0.00 -1.71 0.00 0.00 66.02 65.06 1pk8 s SER 162 CO 0.00 -0.25 -0.08 -0.69 1.20 0.00 0.00 173.24 173.42 1pk8 s VAL 163 N -0.19 3.14 -0.23 4.45 1.01 0.52 -1.56 120.40 127.55 1pk8 s VAL 163 Ca -0.04 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1pk8 s VAL 163 Cb -0.03 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1pk8 s VAL 163 CO 0.02 0.47 0.12 -1.81 0.00 0.00 0.00 175.10 173.90 1pk8 s ASP 164 N 1.14 5.74 -0.15 3.32 1.01 0.93 -0.16 116.67 128.49 1pk8 s ASP 164 Ca 0.01 0.01 -0.04 0.00 0.71 0.00 0.00 52.55 53.23 1pk8 s ASP 164 Cb -0.14 -2.03 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 1pk8 s ASP 164 CO -0.02 0.05 -0.01 -0.32 0.21 0.00 0.00 175.17 175.08 1pk8 s MET 165 N 1.14 3.66 0.76 8.23 1.75 0.23 -1.32 119.30 133.76 1pk8 s MET 165 Ca 0.06 -0.46 0.00 0.00 -1.25 0.00 0.00 55.69 54.04 1pk8 s MET 165 Cb -0.14 -2.97 0.00 0.00 2.84 0.00 0.00 34.83 34.55 1pk8 s MET 165 CO 0.04 0.31 0.00 0.39 -0.65 0.00 0.00 175.02 175.12 1pk8 n GLU 166 N 3.34 0.00 -3.52 4.11 1.02 0.21 -2.18 120.64 123.62 1pk8 n GLU 166 Ca -0.17 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.87 1pk8 n GLU 166 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.85 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 -0.59 -0.04 2.62 1.01 -1.26 -4.94 120.40 117.19 1pk8 s VAL 175 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1pk8 s VAL 175 Cb 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1pk8 s VAL 175 CO 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 175.10 174.89 1pk8 s ARG 176 N 2.55 2.37 -0.02 2.72 1.70 -0.93 -5.13 118.95 122.22 1pk8 s ARG 176 Ca 0.05 -0.80 -0.00 0.00 -0.47 0.00 0.00 55.73 54.51 1pk8 s ARG 176 Cb -0.14 -2.23 -0.04 0.00 -0.57 0.00 0.00 34.95 31.97 1pk8 s ARG 176 CO -0.14 0.57 0.06 -1.54 -1.08 0.00 0.00 175.30 173.18 1pk8 s SER 177 N -0.62 5.55 0.23 -2.89 1.04 -1.26 -0.60 113.70 115.14 1pk8 s SER 177 Ca 0.09 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1pk8 s SER 177 Cb -0.11 -1.57 -0.04 0.00 0.10 0.00 0.00 66.02 64.40 1pk8 s SER 177 CO 0.00 0.29 0.13 -1.48 0.98 0.00 0.00 173.24 173.16 1pk8 s LEU 178 N -1.60 1.32 -0.46 2.42 2.34 0.77 -4.92 118.68 118.55 1pk8 s LEU 178 Ca 0.21 -1.42 0.03 0.00 0.06 0.00 0.00 54.13 53.01 1pk8 s LEU 178 Cb -0.12 0.30 0.14 0.00 -0.56 0.00 0.00 46.19 45.95 1pk8 s LEU 178 CO 0.12 -0.83 0.28 -0.54 -1.06 0.00 0.00 176.35 174.32 1pk8 s LYS 179 N -4.08 1.35 0.35 1.48 1.02 -1.26 -0.35 119.74 118.26 1pk8 s LYS 179 Ca 0.39 -2.15 -0.28 0.00 0.02 0.00 0.00 55.97 53.95 1pk8 s LYS 179 Cb 0.07 -2.32 -0.10 0.00 -0.52 0.00 0.00 37.83 34.96 1pk8 s LYS 179 CO 0.13 -1.20 1.30 -2.14 -0.92 0.00 0.00 175.35 172.52 1pk8 s PRO 180 N 0.14 4.24 0.08 -1.68 0.02 -1.26 -4.72 135.00 131.81 1pk8 s PRO 180 Ca 0.20 2.19 0.23 0.00 0.02 0.00 0.00 61.00 63.64 1pk8 s PRO 180 Cb -0.19 -2.97 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 1pk8 s PRO 180 CO -0.04 -0.28 0.96 -0.25 -0.33 0.00 0.00 177.00 177.06 1pk8 n ASP 181 N 0.58 0.58 -3.52 2.53 8.00 0.16 -4.95 116.55 119.93 1pk8 n ASP 181 Ca 0.01 -0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.32 1pk8 n ASP 181 Cb 0.42 0.87 -0.05 0.00 -0.02 0.00 0.00 41.12 42.34 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 -3.29 -0.57 -0.00 1.24 2.19 -0.92 -4.29 117.98 112.34 1pk8 s PHE 182 Ca 0.01 0.80 0.03 0.00 0.33 0.00 0.00 56.93 58.11 1pk8 s PHE 182 Cb 0.13 0.42 -0.01 0.00 -1.31 0.00 0.00 43.02 42.25 1pk8 s PHE 182 CO 0.81 -0.66 -0.11 0.08 1.83 0.00 0.00 175.22 177.17 1pk8 s VAL 183 N -1.98 0.88 -0.23 3.12 1.01 -0.52 -1.41 120.40 121.27 1pk8 s VAL 183 Ca -0.07 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1pk8 s VAL 183 Cb -0.01 -0.75 0.04 0.00 0.00 0.00 0.00 36.38 35.67 1pk8 s VAL 183 CO 0.03 0.22 -0.13 -0.22 0.00 0.00 0.00 175.10 175.00 1pk8 s LEU 184 N -0.34 3.01 -0.42 3.92 2.96 -0.26 -1.62 118.68 125.94 1pk8 s LEU 184 Ca 0.04 -1.07 -0.16 0.00 -0.22 0.00 0.00 54.13 52.72 1pk8 s LEU 184 Cb -0.05 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1pk8 s LEU 184 CO -0.00 -0.12 0.34 -0.63 -1.32 0.00 0.00 176.35 174.61 1pk8 s ILE 185 N 1.20 5.22 -1.40 6.68 1.01 -0.22 -0.92 121.20 132.77 1pk8 s ILE 185 Ca -0.03 -0.62 0.16 0.00 0.00 0.00 0.00 60.65 60.17 1pk8 s ILE 185 Cb -0.17 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 1pk8 s ILE 185 CO -0.07 -0.35 0.84 0.54 0.00 0.00 0.00 174.94 175.89 1pk8 n ARG 186 N 5.26 1.70 -4.07 2.79 5.12 -0.08 -4.07 116.66 123.32 1pk8 n ARG 186 Ca -0.10 -0.72 -0.22 0.00 -1.93 0.00 0.00 57.85 54.87 1pk8 n ARG 186 Cb 0.47 -1.27 -0.05 0.00 -1.16 0.00 0.00 32.46 30.44 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 -1.97 2.57 -0.03 5.56 0.74 -1.05 -4.35 119.66 121.12 1pk8 s GLN 187 Ca 0.13 -1.35 -0.30 0.00 0.05 0.00 0.00 55.36 53.88 1pk8 s GLN 187 Cb 0.13 -2.33 -0.04 0.00 1.10 0.00 0.00 33.01 31.87 1pk8 s GLN 187 CO 0.43 0.22 1.23 -1.01 -0.55 0.00 0.00 175.29 175.61 1pk8 s HIS 188 N -2.31 3.17 -0.26 1.67 3.76 -1.26 -4.75 115.29 115.31 1pk8 s HIS 188 Ca 0.36 1.17 0.25 0.00 -0.15 0.00 0.00 55.06 56.69 1pk8 s HIS 188 Cb -0.05 -3.46 0.61 0.00 1.11 0.00 0.00 32.58 30.79 1pk8 s HIS 188 CO 0.24 -1.48 1.70 0.00 -0.85 0.00 0.00 174.74 174.35 1pk8 h ALA 189 N 7.42 0.98 -2.94 -1.40 0.00 -1.92 -3.46 119.26 117.94 1pk8 h ALA 189 Ca -0.36 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 1pk8 h ALA 189 Cb 1.17 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 18.72 1pk8 h ALA 189 CO 0.87 0.05 -0.42 0.12 0.00 0.00 0.00 179.25 179.88 1pk8 s PHE 190 N -3.33 -0.18 -0.23 0.00 5.36 -1.25 -0.36 117.98 118.00 1pk8 s PHE 190 Ca 0.05 0.41 -0.20 0.00 -0.96 0.00 0.00 56.93 56.23 1pk8 s PHE 190 Cb 0.06 0.06 0.06 0.00 -0.34 0.00 0.00 43.02 42.86 1pk8 s PHE 190 CO 0.64 -0.21 0.59 0.45 -1.46 0.00 0.00 175.22 175.23 1pk8 s SER 191 N -0.48 -0.64 0.00 6.13 0.15 -0.29 -4.84 113.70 113.73 1pk8 s SER 191 Ca -0.06 1.21 0.06 0.00 0.70 0.00 0.00 55.95 57.86 1pk8 s SER 191 Cb -0.04 1.21 0.30 0.00 -1.71 0.00 0.00 66.02 65.78 1pk8 s SER 191 CO 0.01 -0.21 1.20 0.23 1.20 0.00 0.00 173.24 175.67 1pk8 n MET 192 N 2.94 1.08 -3.11 5.44 2.81 -0.45 -3.77 117.12 122.06 1pk8 n MET 192 Ca -0.15 -0.12 -0.32 0.00 -1.81 0.00 0.00 57.70 55.30 1pk8 n MET 192 Cb 0.56 -1.10 -0.06 0.00 -0.71 0.00 0.00 33.22 31.92 1pk8 n MET 192 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pk8 s ALA 193 N -1.96 3.33 0.11 3.04 0.00 -1.26 -4.97 121.76 120.05 1pk8 s ALA 193 Ca 0.09 -0.00 -0.35 0.00 0.00 0.00 0.00 51.96 51.70 1pk8 s ALA 193 Cb 0.04 -2.75 -0.16 0.00 0.00 0.00 0.00 23.12 20.25 1pk8 s ALA 193 CO 0.07 0.29 1.30 -2.13 0.00 0.00 0.00 175.76 175.29 1pk8 n ARG 194 N -0.49 1.20 -1.22 0.00 0.63 -1.26 -1.23 116.66 114.27 1pk8 n ARG 194 Ca 0.03 0.43 -0.08 0.00 -0.92 0.00 0.00 57.85 57.32 1pk8 n ARG 194 Cb 0.53 -2.04 -0.03 0.00 0.45 0.00 0.00 32.46 31.37 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 2.41 -4.49 -1.12 6.15 4.13 -1.26 -4.89 115.26 116.18 1pk8 n ASN 195 Ca 0.17 0.19 0.11 0.00 1.68 0.00 0.00 54.58 56.74 1pk8 n ASN 195 Cb 0.21 -2.67 0.21 0.00 -1.54 0.00 0.00 39.78 35.99 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 -1.29 1.78 3.44 7.41 0.00 -0.37 -4.87 105.19 111.29 1pk8 n GLY 196 Ca -0.08 -0.71 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.40 6.21 -0.09 1.61 -1.08 -1.25 -1.14 116.67 119.54 1pk8 s ASP 197 Ca 0.38 -0.99 0.13 0.00 -0.52 0.00 0.00 52.55 51.54 1pk8 s ASP 197 Cb 0.22 -2.35 0.24 0.00 -1.46 0.00 0.00 42.92 39.57 1pk8 s ASP 197 CO 0.30 -1.17 1.15 -1.22 0.52 0.00 0.00 175.17 174.75 1pk8 n TYR 198 N 6.88 0.15 -0.29 -5.34 4.01 0.51 -4.75 117.16 118.33 1pk8 n TYR 198 Ca -0.05 -0.81 0.03 0.00 -0.16 0.00 0.00 57.90 56.90 1pk8 n TYR 198 Cb 0.45 -0.13 0.16 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.35 0.77 -0.01 -0.72 3.08 -1.85 -0.22 114.38 115.77 1pk8 h ARG 199 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1pk8 h ARG 199 Cb 0.90 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 1pk8 h ARG 199 CO 0.03 0.51 0.01 0.66 -1.07 0.00 0.00 179.97 180.10 1pk8 h SER 200 N 0.79 0.00 0.35 7.04 4.64 -1.92 0.10 113.55 124.55 1pk8 h SER 200 Ca 0.39 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.54 1pk8 h SER 200 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1pk8 h SER 200 CO -0.24 0.00 -0.69 -0.07 -0.87 0.00 0.00 176.83 174.96 1pk8 h LEU 201 N 0.00 0.36 -0.31 5.97 3.38 -1.40 0.09 115.31 123.39 1pk8 h LEU 201 Ca 0.01 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1pk8 h LEU 201 Cb 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1pk8 h LEU 201 CO -0.00 0.94 -0.29 0.58 0.09 0.00 0.00 178.44 179.76 1pk8 h VAL 202 N 0.21 1.30 -0.91 1.22 2.07 -0.59 -1.32 116.25 118.23 1pk8 h VAL 202 Ca -0.02 -1.45 0.01 0.00 0.82 0.00 0.00 66.70 66.06 1pk8 h VAL 202 Cb 1.24 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.51 1pk8 h VAL 202 CO 0.11 0.47 0.60 0.40 0.02 0.00 0.00 177.57 179.17 1pk8 h ILE 203 N 0.49 1.24 -0.56 4.57 2.04 -0.84 -2.03 117.51 122.41 1pk8 h ILE 203 Ca 0.05 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1pk8 h ILE 203 Cb 0.86 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1pk8 h ILE 203 CO 0.07 0.23 0.11 1.23 0.00 0.00 0.00 178.15 179.80 1pk8 h GLY 204 N 1.24 0.99 1.30 5.37 0.00 -0.71 0.13 103.07 111.39 1pk8 h GLY 204 Ca 0.33 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1pk8 h GLY 204 CO -0.07 0.60 0.11 1.41 0.00 0.00 0.00 176.54 178.58 1pk8 h LEU 205 N 0.82 0.82 -0.37 3.11 3.38 -0.93 -1.02 115.31 121.11 1pk8 h LEU 205 Ca 0.17 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 1pk8 h LEU 205 Cb 0.38 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1pk8 h LEU 205 CO 0.01 0.82 -0.56 -0.61 0.09 0.00 0.00 178.44 178.19 1pk8 h GLN 206 N 0.83 0.76 -0.50 1.13 5.75 -1.14 -1.73 115.11 120.21 1pk8 h GLN 206 Ca 0.18 -0.49 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 1pk8 h GLN 206 Cb 0.34 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1pk8 h GLN 206 CO 0.00 1.11 0.32 -0.92 -2.65 0.00 0.00 178.83 176.70 1pk8 h TYR 207 N 0.58 0.64 -0.00 3.99 5.03 -0.55 0.34 116.97 127.00 1pk8 h TYR 207 Ca 0.01 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1pk8 h TYR 207 Cb 1.14 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 39.21 1pk8 h TYR 207 CO 0.06 0.41 -0.11 0.00 -1.32 0.00 0.00 178.16 177.20 1pk8 n ALA 208 N -2.46 2.67 -2.92 1.82 0.00 -0.43 -4.83 120.51 114.36 1pk8 n ALA 208 Ca 0.04 -0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1pk8 n ALA 208 Cb 0.06 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.16 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 1.40 -0.13 3.66 0.00 0.00 0.12 -4.98 105.19 105.26 1pk8 n GLY 209 Ca 0.10 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.05 4.94 0.64 -0.61 1.01 -0.72 -5.02 121.20 118.39 1pk8 s ILE 210 Ca 0.27 1.40 -0.18 0.00 0.00 0.00 0.00 60.65 62.14 1pk8 s ILE 210 Cb -0.12 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 1pk8 s ILE 210 CO 0.33 0.04 1.23 -2.84 0.00 0.00 0.00 174.94 173.70 1pk8 s PRO 211 N 2.23 2.64 0.18 2.79 0.02 -1.26 -4.77 135.00 136.82 1pk8 s PRO 211 Ca 0.33 1.88 -0.18 0.00 0.02 0.00 0.00 61.00 63.04 1pk8 s PRO 211 Cb -0.16 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 32.52 1pk8 s PRO 211 CO 0.10 -1.48 0.52 0.45 -0.33 0.00 0.00 177.00 176.26 1pk8 s SER 212 N -1.66 -0.32 -0.16 2.53 0.15 -1.26 -1.43 113.70 111.55 1pk8 s SER 212 Ca 0.78 -0.35 -0.00 0.00 0.70 0.00 0.00 55.95 57.08 1pk8 s SER 212 Cb -0.32 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1pk8 s SER 212 CO 0.38 -1.00 -0.06 -0.69 1.20 0.00 0.00 173.24 173.07 1pk8 s VAL 213 N -3.83 1.15 0.99 4.45 1.01 -0.64 -2.73 120.40 120.80 1pk8 s VAL 213 Ca 0.06 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 1pk8 s VAL 213 Cb -0.01 -1.28 0.18 0.00 0.00 0.00 0.00 36.38 35.28 1pk8 s VAL 213 CO -0.07 0.18 1.13 0.20 0.00 0.00 0.00 175.10 176.54 1pk8 s ASN 214 N 1.62 2.75 0.60 3.32 0.01 -1.26 -1.06 114.94 120.92 1pk8 s ASN 214 Ca 0.01 0.95 -0.18 0.00 -0.71 0.00 0.00 52.86 52.93 1pk8 s ASN 214 Cb -0.15 -1.49 -0.05 0.00 0.41 0.00 0.00 41.25 39.97 1pk8 s ASN 214 CO -0.08 -3.03 0.89 -1.54 -1.51 0.00 0.00 177.10 171.84 1pk8 n SER 215 N -4.08 0.47 0.16 -1.22 3.41 -1.10 -4.77 113.62 106.49 1pk8 n SER 215 Ca 0.07 0.79 0.02 0.00 -0.26 0.00 0.00 58.87 59.49 1pk8 n SER 215 Cb 0.59 -1.36 0.37 0.00 -0.26 0.00 0.00 64.21 63.55 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 0.41 0.08 -0.49 1.04 3.38 -1.90 -1.52 115.31 116.30 1pk8 h LEU 216 Ca -0.48 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1pk8 h LEU 216 Cb 1.37 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1pk8 h LEU 216 CO 0.50 0.38 0.31 -0.74 0.09 0.00 0.00 178.44 178.98 1pk8 h HIS 217 N 0.08 0.64 -0.25 1.13 2.76 -1.93 -0.05 115.15 117.53 1pk8 h HIS 217 Ca 0.01 0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 58.00 1pk8 h HIS 217 Cb 0.56 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1pk8 h HIS 217 CO 0.00 0.43 -0.59 0.66 -1.30 0.00 0.00 177.93 177.13 1pk8 h SER 218 N 0.66 0.91 -0.64 3.26 4.64 -1.68 -1.95 113.55 118.75 1pk8 h SER 218 Ca 0.18 -0.51 0.05 0.00 -0.47 0.00 0.00 61.79 61.04 1pk8 h SER 218 Cb -0.04 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 61.74 1pk8 h SER 218 CO -0.04 1.30 0.37 0.58 -0.87 0.00 0.00 176.83 178.17 1pk8 h VAL 219 N 0.61 0.99 -0.46 0.95 2.07 -1.00 0.14 116.25 119.55 1pk8 h VAL 219 Ca 0.00 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1pk8 h VAL 219 Cb 1.19 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1pk8 h VAL 219 CO 0.13 0.13 0.04 0.22 0.02 0.00 0.00 177.57 178.10 1pk8 h TYR 220 N 0.69 0.85 0.00 1.57 5.03 -0.92 -2.66 116.97 121.52 1pk8 h TYR 220 Ca 0.28 -0.13 0.00 0.00 2.58 0.00 0.00 58.73 61.46 1pk8 h TYR 220 Cb 0.14 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.19 1pk8 h TYR 220 CO -0.07 0.81 0.00 0.09 -1.32 0.00 0.00 178.16 177.66 1pk8 n ASN 221 N -4.41 0.00 -0.37 -2.11 3.02 -0.74 -2.49 115.26 108.15 1pk8 n ASN 221 Ca 0.00 0.25 0.14 0.00 -0.03 0.00 0.00 54.58 54.94 1pk8 n ASN 221 Cb 0.28 -0.40 0.46 0.00 -0.61 0.00 0.00 39.78 39.51 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 -1.40 0.00 1.61 3.10 3.01 0.42 -4.30 117.46 119.89 1pk8 n PHE 222 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1pk8 n PHE 222 Cb 0.23 -0.06 0.02 0.00 -0.01 0.00 0.00 39.48 39.67 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 -1.22 2.41 0.33 0.00 1.01 -1.26 -4.95 116.67 112.99 1pk8 s ASP 224 Ca 0.01 -1.63 0.11 0.00 0.71 0.00 0.00 52.55 51.75 1pk8 s ASP 224 Cb 0.00 0.00 1.01 0.00 1.01 0.00 0.00 42.92 44.95 1pk8 s ASP 224 CO 0.01 -0.33 1.62 0.11 0.21 0.00 0.00 175.17 176.78 1pk8 h LYS 225 N 7.50 0.13 0.00 8.23 1.57 -1.89 0.81 116.57 132.93 1pk8 h LYS 225 Ca -0.02 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1pk8 h LYS 225 Cb 1.02 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1pk8 h LYS 225 CO 0.29 0.09 -0.21 -1.35 -0.57 0.00 0.00 179.45 177.70 1pk8 h PRO 226 N 0.14 0.00 -0.38 3.15 0.11 -1.96 0.11 132.00 133.17 1pk8 h PRO 226 Ca 0.70 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.68 1pk8 h PRO 226 Cb 1.63 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.73 1pk8 h PRO 226 CO -0.73 0.21 -0.26 2.35 -0.21 0.00 0.00 178.00 179.36 1pk8 h TRP 227 N 0.00 0.99 -0.26 0.65 2.91 0.28 -0.25 115.95 120.28 1pk8 h TRP 227 Ca -0.00 -0.27 -0.05 0.00 1.13 0.00 0.00 58.89 59.69 1pk8 h TRP 227 Cb 0.38 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 1pk8 h TRP 227 CO 0.00 1.05 -0.05 0.28 -1.03 0.00 0.00 178.44 178.70 1pk8 h VAL 228 N 0.65 1.28 -0.92 2.65 2.07 -0.85 -2.89 116.25 118.24 1pk8 h VAL 228 Ca 0.08 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.64 1pk8 h VAL 228 Cb 0.83 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 1pk8 h VAL 228 CO 0.07 0.33 0.59 0.15 0.02 0.00 0.00 177.57 178.73 1pk8 h PHE 229 N 0.24 1.04 -0.81 1.57 3.57 -0.65 -0.78 116.94 121.12 1pk8 h PHE 229 Ca 0.07 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.73 1pk8 h PHE 229 Cb 0.50 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 1pk8 h PHE 229 CO 0.05 0.51 0.53 0.00 -2.23 0.00 0.00 178.31 177.17 1pk8 h ALA 230 N 1.52 1.96 -0.59 2.41 0.00 -0.82 0.18 119.26 123.92 1pk8 h ALA 230 Ca 0.41 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 1pk8 h ALA 230 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1pk8 h ALA 230 CO -0.17 -0.17 -0.03 1.96 0.00 0.00 0.00 179.25 180.85 1pk8 h GLN 231 N 0.56 1.06 -0.16 0.00 1.08 -1.13 -2.46 115.11 114.06 1pk8 h GLN 231 Ca 0.40 -0.35 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 1pk8 h GLN 231 Cb 0.74 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1pk8 h GLN 231 CO -0.15 1.05 -0.28 0.52 -0.95 0.00 0.00 178.83 179.02 1pk8 h MET 232 N 0.96 0.29 -0.55 1.46 2.86 -0.64 -1.87 114.93 117.44 1pk8 h MET 232 Ca 0.16 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1pk8 h MET 232 Cb 0.59 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1pk8 h MET 232 CO 0.04 0.55 0.34 0.28 1.06 0.00 0.00 176.91 179.18 1pk8 h VAL 233 N 0.26 1.16 -0.20 -2.22 2.07 -0.63 0.69 116.25 117.37 1pk8 h VAL 233 Ca 0.04 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1pk8 h VAL 233 Cb 0.63 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1pk8 h VAL 233 CO 0.05 0.16 0.12 -0.09 0.02 0.00 0.00 177.57 177.82 1pk8 h ARG 234 N 0.74 0.23 -0.50 1.57 2.43 -0.96 -0.63 114.38 117.28 1pk8 h ARG 234 Ca 0.20 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1pk8 h ARG 234 Cb -0.04 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1pk8 h ARG 234 CO -0.04 0.16 0.28 -0.07 -1.51 0.00 0.00 179.97 178.78 1pk8 h LEU 235 N 0.24 0.60 -0.63 3.80 3.38 -0.91 -1.38 115.31 120.40 1pk8 h LEU 235 Ca 0.08 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1pk8 h LEU 235 Cb -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1pk8 h LEU 235 CO -0.03 0.48 -0.32 -0.74 0.09 0.00 0.00 178.44 177.91 1pk8 h HIS 236 N 0.68 0.85 -0.03 1.13 2.76 -0.25 0.10 115.15 120.39 1pk8 h HIS 236 Ca 0.18 -0.22 -0.09 0.00 -2.20 0.00 0.00 60.37 58.03 1pk8 h HIS 236 Cb 0.01 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1pk8 h HIS 236 CO 0.00 0.95 -0.41 -0.22 -1.30 0.00 0.00 177.93 176.96 1pk8 h LYS 237 N 0.61 0.07 0.04 5.26 3.64 -0.35 0.48 116.57 126.32 1pk8 h LYS 237 Ca 0.07 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.14 1pk8 h LYS 237 Cb 0.85 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1pk8 h LYS 237 CO 0.07 0.47 -1.51 -0.22 -2.27 0.00 0.00 179.45 175.98 1pk8 h LYS 238 N 0.06 0.08 0.00 1.90 3.64 -0.99 -3.39 116.57 117.86 1pk8 h LYS 238 Ca 0.00 -0.14 -0.30 0.00 -1.27 0.00 0.00 60.65 58.95 1pk8 h LYS 238 Cb 0.75 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 1pk8 h LYS 238 CO 0.06 0.82 -2.27 1.28 -2.27 0.00 0.00 179.45 177.06 1pk8 n LEU 239 N -3.25 0.06 0.00 5.20 4.77 0.32 -5.09 117.00 119.00 1pk8 n LEU 239 Ca -0.14 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1pk8 n LEU 239 Cb 1.02 0.39 0.00 0.00 -2.33 0.00 0.00 43.42 42.51 1pk8 n LEU 239 CO 0.47 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1pk8 n GLY 240 N 1.65 -0.01 0.16 -0.72 0.00 0.15 -4.42 105.19 102.00 1pk8 n GLY 240 Ca -0.27 -1.66 -0.05 0.00 0.00 0.00 0.00 46.02 44.04 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 0.78 -0.73 2.61 2.02 -1.78 -1.08 112.91 114.73 1pk8 h THR 241 Ca 0.00 -0.05 0.16 0.00 0.77 0.00 0.00 66.41 67.29 1pk8 h THR 241 Cb 0.00 0.61 -0.12 0.00 -1.74 0.00 0.00 68.15 66.90 1pk8 h THR 241 CO 0.00 0.03 0.07 -0.33 0.37 0.00 0.00 175.52 175.66 1pk8 h GLU 242 N 0.15 0.15 0.02 6.66 4.39 -1.98 -1.93 114.58 122.04 1pk8 h GLU 242 Ca 0.18 -0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.56 1pk8 h GLU 242 Cb 0.22 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1pk8 h GLU 242 CO -0.26 0.10 -1.76 0.39 -1.16 0.00 0.00 179.01 176.33 1pk8 n GLU 243 N -5.27 0.65 -3.60 2.33 1.02 -1.14 -4.67 120.64 109.95 1pk8 n GLU 243 Ca 0.13 0.29 -0.28 0.00 -0.02 0.00 0.00 57.16 57.28 1pk8 n GLU 243 Cb 0.46 -1.78 -0.12 0.00 -0.02 0.00 0.00 31.44 29.98 1pk8 n GLU 243 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1pk8 s PHE 244 N -2.59 1.80 -1.39 -0.32 5.36 -0.42 -4.76 117.98 115.66 1pk8 s PHE 244 Ca -0.07 -2.46 -0.15 0.00 -0.96 0.00 0.00 56.93 53.29 1pk8 s PHE 244 Cb 0.08 -1.57 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 1pk8 s PHE 244 CO 0.82 -0.76 2.18 -0.35 -1.46 0.00 0.00 175.22 175.65 1pk8 n PRO 245 N 3.06 2.73 -2.14 10.12 -0.04 -0.75 -4.21 135.00 143.76 1pk8 n PRO 245 Ca 0.19 -2.55 -0.42 0.00 -0.04 0.00 0.00 63.50 60.68 1pk8 n PRO 245 Cb 0.40 -3.26 -0.03 0.00 -0.04 0.00 0.00 33.50 30.56 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 2.21 4.39 0.61 1.53 2.96 -1.26 -0.39 118.68 128.73 1pk8 s LEU 246 Ca 0.48 2.44 -0.19 0.00 -0.22 0.00 0.00 54.13 56.65 1pk8 s LEU 246 Cb 0.14 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 1pk8 s LEU 246 CO -0.06 -0.63 1.24 0.00 -1.32 0.00 0.00 176.35 175.57 1pk8 n ILE 247 N 3.18 4.43 -2.28 6.68 3.06 0.30 -4.73 119.36 129.99 1pk8 n ILE 247 Ca 0.09 -0.50 -0.42 0.00 -2.50 0.00 0.00 62.75 59.42 1pk8 n ILE 247 Cb 0.42 -1.46 -0.03 0.00 0.54 0.00 0.00 39.64 39.11 1pk8 n ILE 247 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 1pk8 s ASP 248 N -1.24 6.93 0.02 9.51 1.01 -1.26 -4.97 116.67 126.67 1pk8 s ASP 248 Ca 0.79 2.17 -0.05 0.00 0.71 0.00 0.00 52.55 56.17 1pk8 s ASP 248 Cb -0.40 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 40.94 1pk8 s ASP 248 CO 0.44 -0.59 0.08 -1.58 0.21 0.00 0.00 175.17 173.73 1pk8 s GLN 249 N 1.26 0.49 -0.04 8.23 0.74 -1.26 -3.78 119.66 125.30 1pk8 s GLN 249 Ca 0.62 -0.59 0.05 0.00 0.05 0.00 0.00 55.36 55.50 1pk8 s GLN 249 Cb -0.33 0.19 -0.01 0.00 1.10 0.00 0.00 33.01 33.96 1pk8 s GLN 249 CO 0.29 -0.11 -0.20 0.99 -0.55 0.00 0.00 175.29 175.71 1pk8 s THR 250 N -1.89 1.65 -0.15 -0.34 2.01 0.09 -4.98 115.64 112.02 1pk8 s THR 250 Ca -0.11 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 60.99 1pk8 s THR 250 Cb -0.05 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 1pk8 s THR 250 CO -0.01 0.47 -0.01 0.12 -0.69 0.00 0.00 174.62 174.49 1pk8 s PHE 251 N -0.18 3.09 -0.24 4.92 5.36 -1.26 -1.75 117.98 127.91 1pk8 s PHE 251 Ca 0.00 -0.13 0.01 0.00 -0.96 0.00 0.00 56.93 55.85 1pk8 s PHE 251 Cb -0.11 -1.94 0.04 0.00 -0.34 0.00 0.00 43.02 40.67 1pk8 s PHE 251 CO 0.02 0.10 -0.10 0.71 -1.46 0.00 0.00 175.22 174.48 1pk8 s TYR 252 N 0.11 3.10 0.31 10.12 2.02 -0.17 -4.99 117.35 127.85 1pk8 s TYR 252 Ca 0.01 -1.90 0.04 0.00 -0.37 0.00 0.00 57.07 54.85 1pk8 s TYR 252 Cb -0.13 -1.98 0.66 0.00 -0.40 0.00 0.00 41.96 40.10 1pk8 s TYR 252 CO 0.02 -0.81 1.84 -1.35 -1.57 0.00 0.00 175.55 173.68 1pk8 h PRO 253 N 7.90 0.85 -3.46 -1.71 0.11 -1.93 -2.23 132.00 131.54 1pk8 h PRO 253 Ca -0.29 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 1pk8 h PRO 253 Cb 1.08 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 31.93 1pk8 h PRO 253 CO 0.54 0.57 -0.01 0.54 -0.21 0.00 0.00 178.00 179.43 1pk8 s ASN 254 N -5.71 -0.11 0.57 -2.05 2.20 -1.26 -3.17 114.94 105.41 1pk8 s ASN 254 Ca -0.11 -0.86 0.28 0.00 -0.94 0.00 0.00 52.86 51.23 1pk8 s ASN 254 Cb 0.22 0.64 1.52 0.00 -2.00 0.00 0.00 41.25 41.63 1pk8 s ASN 254 CO 0.80 -1.22 2.00 1.12 -2.94 0.00 0.00 177.10 176.87 1pk8 h HIS 255 N 2.17 0.00 -0.21 1.54 2.07 -1.86 -2.81 115.15 116.05 1pk8 h HIS 255 Ca -0.24 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.34 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 0.46 0.00 0.22 0.87 -3.07 0.00 0.00 177.93 176.41 1pk8 h LYS 256 N 0.00 0.00 0.00 5.12 1.57 -1.96 -1.23 116.57 120.06 1pk8 h LYS 256 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1pk8 h LYS 256 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1pk8 h LYS 256 CO -0.00 0.00 -0.75 0.39 -0.57 0.00 0.00 179.45 178.52 1pk8 n GLU 257 N -3.86 0.20 -2.23 3.15 -0.58 -1.06 -4.72 120.64 111.54 1pk8 n GLU 257 Ca 0.02 0.03 -0.33 0.00 -0.42 0.00 0.00 57.16 56.46 1pk8 n GLU 257 Cb 0.35 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.58 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 -3.12 2.97 -0.19 3.49 -1.94 -0.47 -4.72 119.30 115.32 1pk8 s MET 258 Ca 0.07 -1.34 -0.16 0.00 -1.71 0.00 0.00 55.69 52.55 1pk8 s MET 258 Cb 0.15 -5.32 -0.12 0.00 2.01 0.00 0.00 34.83 31.55 1pk8 s MET 258 CO 0.75 -3.38 -0.02 1.28 -0.01 0.00 0.00 175.02 173.64 1pk8 n LEU 259 N 12.44 1.85 0.00 -0.03 4.77 -1.26 -4.94 117.00 129.83 1pk8 n LEU 259 Ca 0.45 0.49 -0.04 0.00 -0.03 0.00 0.00 56.01 56.88 1pk8 n LEU 259 Cb 0.47 -0.90 0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1pk8 n LEU 259 CO 0.70 -0.01 0.28 -1.54 -1.33 0.00 0.00 177.39 175.49 1pk8 n SER 260 N -4.49 -1.12 -3.96 -1.43 3.41 -1.26 -4.83 113.62 99.94 1pk8 n SER 260 Ca -0.24 -1.76 -0.16 0.00 -0.26 0.00 0.00 58.87 56.45 1pk8 n SER 260 Cb 0.53 1.86 -0.15 0.00 -0.26 0.00 0.00 64.21 66.20 1pk8 n SER 260 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pk8 s SER 261 N -2.06 0.67 0.14 4.04 0.15 -1.26 -5.04 113.70 110.34 1pk8 s SER 261 Ca 0.08 -0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.41 1pk8 s SER 261 Cb -0.02 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 1pk8 s SER 261 CO 0.06 0.06 1.66 0.71 1.20 0.00 0.00 173.24 176.92 1pk8 h THR 262 N 5.10 0.55 -1.52 6.45 1.35 -2.02 -3.44 112.91 119.38 1pk8 h THR 262 Ca -0.29 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 64.95 1pk8 h THR 262 Cb 1.19 0.55 -0.13 0.00 -1.73 0.00 0.00 68.15 68.03 1pk8 h THR 262 CO 0.50 0.00 -0.57 0.42 -0.25 0.00 0.00 175.52 175.61 1pk8 s THR 263 N -6.13 1.60 -0.02 6.82 -4.23 -1.26 -5.16 115.64 107.26 1pk8 s THR 263 Ca -0.14 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.25 1pk8 s THR 263 Cb 0.11 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 71.25 1pk8 s THR 263 CO 0.68 0.00 0.25 -0.31 -0.54 0.00 0.00 174.62 174.70 1pk8 s TYR 264 N -2.85 -0.13 0.72 3.99 2.02 -1.26 -4.59 117.35 115.24 1pk8 s TYR 264 Ca 0.27 0.21 -0.11 0.00 -0.37 0.00 0.00 57.07 57.06 1pk8 s TYR 264 Cb 0.07 0.05 0.02 0.00 -0.40 0.00 0.00 41.96 41.71 1pk8 s TYR 264 CO 0.14 -0.33 1.10 -1.25 -1.57 0.00 0.00 175.55 173.64 1pk8 s PRO 265 N -1.15 2.75 0.16 -1.71 0.04 -1.26 -5.01 135.00 128.82 1pk8 s PRO 265 Ca -0.12 0.45 0.05 0.00 0.04 0.00 0.00 61.00 61.42 1pk8 s PRO 265 Cb -0.06 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1pk8 s PRO 265 CO 0.03 -1.11 -0.10 0.14 0.04 0.00 0.00 177.00 175.99 1pk8 s VAL 266 N -3.36 1.26 -0.22 -0.36 -7.23 -0.38 -1.34 120.40 108.77 1pk8 s VAL 266 Ca 0.59 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1pk8 s VAL 266 Cb -0.11 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 1pk8 s VAL 266 CO 0.52 -0.70 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.89 1pk8 s VAL 267 N -3.27 3.46 -0.11 1.32 1.01 0.13 -0.64 120.40 122.30 1pk8 s VAL 267 Ca 0.18 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 1pk8 s VAL 267 Cb 0.02 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1pk8 s VAL 267 CO 0.02 0.41 0.34 -0.69 0.00 0.00 0.00 175.10 175.18 1pk8 s VAL 268 N 1.49 5.23 -0.24 2.92 1.01 0.71 -1.88 120.40 129.64 1pk8 s VAL 268 Ca 0.06 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.71 1pk8 s VAL 268 Cb -0.14 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.63 1pk8 s VAL 268 CO -0.03 0.45 -0.06 -0.54 0.00 0.00 0.00 175.10 174.93 1pk8 s LYS 269 N -0.08 1.66 -0.10 2.72 1.02 0.51 -1.21 119.74 124.25 1pk8 s LYS 269 Ca 0.20 -1.02 -0.26 0.00 0.02 0.00 0.00 55.97 54.92 1pk8 s LYS 269 Cb -0.14 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.53 1pk8 s LYS 269 CO 0.08 -0.60 0.82 -1.64 -0.92 0.00 0.00 175.35 173.09 1pk8 s MET 270 N 1.38 4.40 2.09 1.68 -1.94 -0.82 -0.84 119.30 125.24 1pk8 s MET 270 Ca -0.06 1.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.98 1pk8 s MET 270 Cb -0.19 -3.51 0.00 0.00 2.01 0.00 0.00 34.83 33.14 1pk8 s MET 270 CO -0.06 -0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.21 1pk8 n GLY 271 N 3.23 1.51 3.14 -0.03 0.00 0.67 -4.40 105.19 109.31 1pk8 n GLY 271 Ca 0.03 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 3.27 0.16 1.61 2.46 -1.26 -4.84 115.29 116.70 1pk8 s HIS 272 Ca 0.00 -2.03 -0.18 0.00 0.47 0.00 0.00 55.06 53.33 1pk8 s HIS 272 Cb 0.00 -2.06 0.04 0.00 -0.13 0.00 0.00 32.58 30.43 1pk8 s HIS 272 CO 0.00 -0.83 0.49 0.00 -2.47 0.00 0.00 174.74 171.93 1pk8 s ALA 273 N 1.20 -1.02 0.38 1.58 0.00 -1.26 -1.35 121.76 121.30 1pk8 s ALA 273 Ca -0.06 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 51.90 1pk8 s ALA 273 Cb -0.20 0.80 -0.08 0.00 0.00 0.00 0.00 23.12 23.65 1pk8 s ALA 273 CO -0.02 -0.74 0.02 -1.01 0.00 0.00 0.00 175.76 174.01 1pk8 s HIS 274 N -3.83 2.37 -1.45 0.00 0.09 -1.26 -4.74 115.29 106.46 1pk8 s HIS 274 Ca 0.06 -0.73 -0.06 0.00 -0.00 0.00 0.00 55.06 54.32 1pk8 s HIS 274 Cb 0.00 -1.63 0.01 0.00 -0.00 0.00 0.00 32.58 30.95 1pk8 s HIS 274 CO -0.08 0.34 0.80 0.43 -0.00 0.00 0.00 174.74 176.24 1pk8 n SER 275 N -0.89 -6.14 0.00 1.40 7.64 -1.26 -2.00 113.62 112.38 1pk8 n SER 275 Ca -0.04 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1pk8 n SER 275 Cb 0.67 -4.88 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 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 -1.68 1.64 3.69 0.23 0.00 -1.26 -5.01 105.19 102.81 1pk8 n GLY 276 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.31 4.16 0.00 1.61 -2.45 -0.85 -2.38 119.30 119.08 1pk8 s MET 277 Ca 0.00 2.51 0.00 0.00 -1.25 0.00 0.00 55.69 56.95 1pk8 s MET 277 Cb 0.00 -3.58 0.00 0.00 1.25 0.00 0.00 34.83 32.50 1pk8 s MET 277 CO 0.00 -0.81 0.00 0.41 1.05 0.00 0.00 175.02 175.67 1pk8 n GLY 278 N 4.15 0.72 3.64 2.11 0.00 -1.26 -4.48 105.19 110.07 1pk8 n GLY 278 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.18 3.99 0.02 1.61 3.01 -1.00 -1.94 119.74 125.25 1pk8 s LYS 279 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 55.97 54.63 1pk8 s LYS 279 Cb 0.00 -3.25 -0.02 0.00 -1.01 0.00 0.00 37.83 33.55 1pk8 s LYS 279 CO 0.00 0.25 -0.03 0.14 0.51 0.00 0.00 175.35 176.22 1pk8 s VAL 280 N 0.45 0.14 -0.21 3.17 -7.23 -0.35 -4.98 120.40 111.39 1pk8 s VAL 280 Ca 0.04 -0.75 -0.16 0.00 -1.81 0.00 0.00 61.98 59.30 1pk8 s VAL 280 Cb -0.12 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 1pk8 s VAL 280 CO 0.00 -0.39 0.39 -0.75 -0.31 0.00 0.00 175.10 174.04 1pk8 s LYS 281 N -1.18 4.16 -0.24 4.82 2.20 -1.26 -0.21 119.74 128.03 1pk8 s LYS 281 Ca -0.12 0.17 -0.02 0.00 -0.36 0.00 0.00 55.97 55.64 1pk8 s LYS 281 Cb -0.08 -3.54 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1pk8 s LYS 281 CO -0.01 -0.04 -0.05 0.08 -0.36 0.00 0.00 175.35 174.97 1pk8 s VAL 282 N 1.32 3.00 -2.03 4.02 1.01 0.18 -4.98 120.40 122.93 1pk8 s VAL 282 Ca 0.18 -0.89 0.26 0.00 0.00 0.00 0.00 61.98 61.53 1pk8 s VAL 282 Cb -0.15 -2.48 0.26 0.00 0.00 0.00 0.00 36.38 34.01 1pk8 s VAL 282 CO 0.08 0.25 1.49 0.47 0.00 0.00 0.00 175.10 177.39 1pk8 n ASP 283 N 4.70 1.44 -3.62 3.32 8.00 -1.26 -1.25 116.55 127.88 1pk8 n ASP 283 Ca -0.17 -1.20 -0.08 0.00 0.71 0.00 0.00 54.79 54.05 1pk8 n ASP 283 Cb 0.48 0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.73 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 -2.37 -0.36 0.17 -2.24 2.20 -1.26 -4.61 114.94 106.47 1pk8 s ASN 284 Ca 0.26 -0.23 -0.19 0.00 -0.94 0.00 0.00 52.86 51.76 1pk8 s ASN 284 Cb 0.19 0.55 0.09 0.00 -2.00 0.00 0.00 41.25 40.09 1pk8 s ASN 284 CO 0.48 -0.96 1.64 -0.61 -2.94 0.00 0.00 177.10 174.71 1pk8 h GLN 285 N 2.00 -0.10 -0.65 3.55 5.75 -1.96 0.10 115.11 123.79 1pk8 h GLN 285 Ca -0.25 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 1pk8 h GLN 285 Cb 1.26 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.80 1pk8 h GLN 285 CO 0.30 -0.07 0.41 0.45 -2.65 0.00 0.00 178.83 177.27 1pk8 h HIS 286 N -0.11 0.77 -0.43 3.99 3.86 -1.99 0.60 115.15 121.85 1pk8 h HIS 286 Ca 0.19 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 1pk8 h HIS 286 Cb 0.40 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1pk8 h HIS 286 CO -0.41 0.45 -0.07 -0.44 0.86 0.00 0.00 177.93 178.32 1pk8 h ASP 287 N 0.82 0.72 -0.67 2.45 5.19 -1.85 -1.92 116.42 121.15 1pk8 h ASP 287 Ca 0.26 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1pk8 h ASP 287 Cb -0.01 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.28 1pk8 h ASP 287 CO -0.09 0.83 0.38 0.15 -3.12 0.00 0.00 179.24 177.38 1pk8 h PHE 288 N 0.68 0.92 -0.03 4.55 3.57 0.37 -0.35 116.94 126.64 1pk8 h PHE 288 Ca 0.12 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1pk8 h PHE 288 Cb 0.53 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1pk8 h PHE 288 CO 0.03 0.65 -0.31 1.96 -2.23 0.00 0.00 178.31 178.41 1pk8 h GLN 289 N 0.92 0.05 -0.03 1.11 4.20 -0.51 -1.12 115.11 119.74 1pk8 h GLN 289 Ca 0.24 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1pk8 h GLN 289 Cb 0.03 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1pk8 h GLN 289 CO -0.04 0.36 -0.06 -0.44 -0.67 0.00 0.00 178.83 177.98 1pk8 h ASP 290 N 0.05 0.10 0.05 1.46 3.32 -0.60 -2.82 116.42 117.99 1pk8 h ASP 290 Ca 0.01 -0.58 -0.02 0.00 0.02 0.00 0.00 57.03 56.46 1pk8 h ASP 290 Cb 0.57 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1pk8 h ASP 290 CO 0.04 0.67 -0.06 0.40 -1.72 0.00 0.00 179.24 178.57 1pk8 h ILE 291 N -0.46 1.06 -0.44 0.35 1.08 -0.95 -1.67 117.51 116.48 1pk8 h ILE 291 Ca 0.00 -0.27 -0.07 0.00 -0.39 0.00 0.00 64.86 64.13 1pk8 h ILE 291 Cb 0.65 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 1pk8 h ILE 291 CO 0.01 0.08 -0.01 0.00 -0.69 0.00 0.00 178.15 177.54 1pk8 h ALA 292 N 1.91 0.60 -0.33 1.87 0.00 -1.17 -1.10 119.26 121.04 1pk8 h ALA 292 Ca 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1pk8 h ALA 292 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1pk8 h ALA 292 CO 0.01 0.40 0.16 0.66 0.00 0.00 0.00 179.25 180.48 1pk8 h SER 293 N 0.63 0.40 -0.25 0.00 4.64 -1.06 0.02 113.55 117.94 1pk8 h SER 293 Ca 0.12 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 1pk8 h SER 293 Cb 0.51 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1pk8 h SER 293 CO 0.03 0.35 -0.39 0.58 -0.87 0.00 0.00 176.83 176.52 1pk8 h VAL 294 N 0.46 1.28 -0.65 0.95 2.07 -0.96 -2.80 116.25 116.59 1pk8 h VAL 294 Ca 0.12 -1.57 0.08 0.00 0.82 0.00 0.00 66.70 66.15 1pk8 h VAL 294 Cb 0.05 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1pk8 h VAL 294 CO -0.02 0.51 0.32 0.58 0.02 0.00 0.00 177.57 178.98 1pk8 h VAL 295 N 0.65 0.86 -0.95 2.57 2.07 0.26 0.08 116.25 121.79 1pk8 h VAL 295 Ca 0.05 -0.19 0.18 0.00 0.82 0.00 0.00 66.70 67.56 1pk8 h VAL 295 Cb 0.95 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1pk8 h VAL 295 CO 0.09 0.10 0.60 0.00 0.02 0.00 0.00 177.57 178.38 1pk8 h ALA 296 N 1.39 1.87 0.00 1.67 0.00 -1.06 0.19 119.26 123.33 1pk8 h ALA 296 Ca 0.32 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 1pk8 h ALA 296 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1pk8 h ALA 296 CO -0.25 -0.18 -0.38 -0.07 0.00 0.00 0.00 179.25 178.37 1pk8 h LEU 297 N 0.65 0.00 -0.44 0.00 3.38 -0.91 -1.64 115.31 116.35 1pk8 h LEU 297 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1pk8 h LEU 297 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1pk8 h LEU 297 CO -0.26 0.38 0.00 0.71 0.09 0.00 0.00 178.44 179.35 1pk8 h THR 298 N 0.00 0.00 -6.40 0.22 1.35 -0.25 -3.47 112.91 104.36 1pk8 h THR 298 Ca -0.00 -0.62 -0.49 0.00 -0.55 0.00 0.00 66.41 64.75 1pk8 h THR 298 Cb 0.89 1.57 -0.05 0.00 -1.73 0.00 0.00 68.15 68.82 1pk8 h THR 298 CO 0.05 0.00 -0.84 0.29 -0.25 0.00 0.00 175.52 174.77 1pk8 n LYS 299 N -2.72 -4.11 -1.65 4.72 5.02 -0.62 -4.94 118.16 113.86 1pk8 n LYS 299 Ca 0.03 0.49 -0.01 0.00 -2.02 0.00 0.00 58.31 56.81 1pk8 n LYS 299 Cb 0.40 -4.97 -0.00 0.00 -0.02 0.00 0.00 35.03 30.44 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 -4.43 0.00 -2.32 -0.18 5.66 -1.26 -5.10 114.28 106.65 1pk8 n THR 300 Ca -0.17 -0.09 -0.25 0.00 -3.05 0.00 0.00 64.05 60.49 1pk8 n THR 300 Cb 0.62 0.06 0.08 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 -5.21 2.51 0.14 1.09 -0.85 -1.19 -4.25 117.35 109.59 1pk8 s TYR 301 Ca 0.01 0.21 -0.24 0.00 -0.52 0.00 0.00 57.07 56.54 1pk8 s TYR 301 Cb -0.00 -3.18 0.07 0.00 0.38 0.00 0.00 41.96 39.24 1pk8 s TYR 301 CO 0.01 -1.50 0.66 0.00 -1.52 0.00 0.00 175.55 173.19 1pk8 s ALA 302 N -3.21 -1.61 0.19 9.51 0.00 -0.84 -0.24 121.76 125.56 1pk8 s ALA 302 Ca 0.62 0.52 0.08 0.00 0.00 0.00 0.00 51.96 53.18 1pk8 s ALA 302 Cb -0.09 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1pk8 s ALA 302 CO 0.44 -0.78 -0.16 0.95 0.00 0.00 0.00 175.76 176.22 1pk8 s THR 303 N -3.65 1.78 -0.03 0.00 -4.23 -0.02 -1.00 115.64 108.48 1pk8 s THR 303 Ca 0.02 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1pk8 s THR 303 Cb -0.01 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 71.89 1pk8 s THR 303 CO -0.11 -0.47 -0.06 0.00 -0.54 0.00 0.00 174.62 173.45 1pk8 s ALA 304 N -2.54 0.63 0.05 3.99 0.00 -0.72 -0.37 121.76 122.81 1pk8 s ALA 304 Ca 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1pk8 s ALA 304 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1pk8 s ALA 304 CO 0.07 0.06 0.05 -1.83 0.00 0.00 0.00 175.76 174.11 1pk8 s GLU 305 N 0.44 0.60 0.39 0.00 -1.05 -0.79 -0.73 118.70 117.57 1pk8 s GLU 305 Ca -0.06 -0.94 -0.27 0.00 -0.15 0.00 0.00 54.97 53.55 1pk8 s GLU 305 Cb -0.10 0.23 -0.11 0.00 -0.44 0.00 0.00 34.13 33.71 1pk8 s GLU 305 CO 0.00 -0.14 1.35 -2.30 0.95 0.00 0.00 175.26 175.13 1pk8 n PRO 306 N 0.49 2.22 -2.78 -4.83 -0.02 -1.25 0.19 135.00 129.02 1pk8 n PRO 306 Ca -0.17 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 1pk8 n PRO 306 Cb 0.60 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.15 3.86 -0.19 6.00 5.36 -0.45 -4.53 117.98 126.88 1pk8 s PHE 307 Ca 0.58 1.79 -0.03 0.00 -0.96 0.00 0.00 56.93 58.30 1pk8 s PHE 307 Cb -0.51 -2.99 -0.01 0.00 -0.34 0.00 0.00 43.02 39.17 1pk8 s PHE 307 CO 0.61 0.31 -0.05 0.42 -1.46 0.00 0.00 175.22 175.05 1pk8 s ILE 308 N -0.44 3.47 -0.99 3.12 1.01 -1.26 -4.87 121.20 121.24 1pk8 s ILE 308 Ca 0.43 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 1pk8 s ILE 308 Cb -0.24 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.69 1pk8 s ILE 308 CO 0.29 0.45 1.67 -0.62 0.00 0.00 0.00 174.94 176.74 1pk8 s ASP 309 N 1.07 5.94 0.03 3.58 2.15 -1.26 -4.93 116.67 123.25 1pk8 s ASP 309 Ca 0.01 -1.20 -0.23 0.00 0.43 0.00 0.00 52.55 51.56 1pk8 s ASP 309 Cb -0.15 -2.57 -0.06 0.00 -0.30 0.00 0.00 42.92 39.85 1pk8 s ASP 309 CO -0.00 -2.03 0.70 0.00 -0.17 0.00 0.00 175.17 173.67 1pk8 s ALA 310 N 7.14 3.42 0.11 3.66 0.00 -1.26 -1.33 121.76 133.50 1pk8 s ALA 310 Ca 0.56 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 1pk8 s ALA 310 Cb -0.02 -2.90 -0.14 0.00 0.00 0.00 0.00 23.12 20.06 1pk8 s ALA 310 CO -0.05 0.12 1.26 -0.22 0.00 0.00 0.00 175.76 176.87 1pk8 h LYS 311 N 5.58 0.42 -1.50 0.00 3.64 -1.28 -3.46 116.57 119.97 1pk8 h LYS 311 Ca -0.45 -0.49 0.32 0.00 -1.27 0.00 0.00 60.65 58.77 1pk8 h LYS 311 Cb 1.20 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 33.05 1pk8 h LYS 311 CO 0.70 1.15 0.82 1.52 -2.27 0.00 0.00 179.45 181.38 1pk8 s TYR 312 N -3.17 -0.04 0.29 1.91 -0.85 -1.22 -4.89 117.35 109.37 1pk8 s TYR 312 Ca -0.06 -0.07 0.09 0.00 -0.52 0.00 0.00 57.07 56.51 1pk8 s TYR 312 Cb 0.08 0.55 -0.06 0.00 0.38 0.00 0.00 41.96 42.92 1pk8 s TYR 312 CO 0.88 -0.29 -0.13 0.16 -1.52 0.00 0.00 175.55 174.65 1pk8 s ASP 313 N -3.02 3.27 0.04 -0.18 1.47 -0.68 -0.75 116.67 116.82 1pk8 s ASP 313 Ca 0.15 -1.12 0.03 0.00 1.18 0.00 0.00 52.55 52.79 1pk8 s ASP 313 Cb 0.04 -0.26 -0.02 0.00 -0.34 0.00 0.00 42.92 42.35 1pk8 s ASP 313 CO -0.04 -0.16 -0.09 -0.69 0.68 0.00 0.00 175.17 174.88 1pk8 s VAL 314 N -2.74 0.64 -0.09 2.11 1.01 0.61 -1.19 120.40 120.76 1pk8 s VAL 314 Ca 0.29 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1pk8 s VAL 314 Cb 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1pk8 s VAL 314 CO 0.13 -0.26 -0.07 -0.60 0.00 0.00 0.00 175.10 174.30 1pk8 s ARG 315 N -1.37 1.38 -0.30 2.72 3.52 -0.29 -1.16 118.95 123.44 1pk8 s ARG 315 Ca -0.06 -0.23 -0.08 0.00 -0.13 0.00 0.00 55.73 55.23 1pk8 s ARG 315 Cb -0.09 -1.40 0.00 0.00 -1.56 0.00 0.00 34.95 31.90 1pk8 s ARG 315 CO 0.01 -0.19 0.11 0.08 -0.81 0.00 0.00 175.30 174.49 1pk8 s VAL 316 N 1.45 4.25 0.19 7.11 1.01 -0.22 -1.21 120.40 132.98 1pk8 s VAL 316 Ca -0.01 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1pk8 s VAL 316 Cb -0.13 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1pk8 s VAL 316 CO -0.05 0.08 0.08 0.00 0.00 0.00 0.00 175.10 175.22 1pk8 s GLN 317 N 1.55 2.68 -0.12 2.72 -2.07 -0.00 -0.31 119.66 124.11 1pk8 s GLN 317 Ca 0.04 -1.02 -0.04 0.00 -1.82 0.00 0.00 55.36 52.52 1pk8 s GLN 317 Cb -0.17 -2.50 0.06 0.00 -1.09 0.00 0.00 33.01 29.31 1pk8 s GLN 317 CO 0.04 0.46 0.14 0.21 -1.32 0.00 0.00 175.29 174.82 1pk8 s LYS 318 N -3.17 0.05 -0.25 9.60 2.20 0.64 -2.32 119.74 126.49 1pk8 s LYS 318 Ca 0.30 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 1pk8 s LYS 318 Cb -0.09 -0.84 0.04 0.00 -1.51 0.00 0.00 37.83 35.43 1pk8 s LYS 318 CO 0.22 -0.46 -0.09 0.42 -0.36 0.00 0.00 175.35 175.07 1pk8 s ILE 319 N 2.25 2.52 0.00 5.43 1.01 -0.20 -1.81 121.20 130.41 1pk8 s ILE 319 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.42 1pk8 s ILE 319 Cb -0.14 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.99 1pk8 s ILE 319 CO -0.07 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1pk8 n GLY 320 N 4.57 2.59 0.52 6.18 0.00 -0.51 -0.18 105.19 118.36 1pk8 n GLY 320 Ca -0.16 0.31 0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 5.85 2.89 -3.61 1.61 1.13 -1.26 -4.98 117.38 119.01 1pk8 n GLN 321 Ca 0.00 -1.98 -0.37 0.00 -1.94 0.00 0.00 57.00 52.71 1pk8 n GLN 321 Cb 0.00 -1.24 -0.09 0.00 0.11 0.00 0.00 30.24 29.02 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 -1.06 6.20 0.13 1.08 3.84 0.75 -5.09 114.94 120.79 1pk8 s ASN 322 Ca 0.19 0.22 0.06 0.00 0.21 0.00 0.00 52.86 53.54 1pk8 s ASN 322 Cb 0.11 -2.13 -0.04 0.00 -0.55 0.00 0.00 41.25 38.64 1pk8 s ASN 322 CO 0.12 0.05 -0.03 -0.31 -2.79 0.00 0.00 177.10 174.14 1pk8 s TYR 323 N 1.03 2.87 -0.10 0.43 1.51 -1.26 -1.03 117.35 120.80 1pk8 s TYR 323 Ca 0.10 -0.10 -0.23 0.00 -1.01 0.00 0.00 57.07 55.83 1pk8 s TYR 323 Cb -0.14 -1.45 0.05 0.00 -0.11 0.00 0.00 41.96 40.32 1pk8 s TYR 323 CO 0.05 0.48 0.55 0.15 -1.11 0.00 0.00 175.55 175.67 1pk8 s LYS 324 N -2.52 0.82 -0.05 -0.62 1.02 -0.98 -5.02 119.74 112.39 1pk8 s LYS 324 Ca 0.25 0.35 0.03 0.00 0.02 0.00 0.00 55.97 56.62 1pk8 s LYS 324 Cb -0.11 0.39 0.01 0.00 -0.52 0.00 0.00 37.83 37.60 1pk8 s LYS 324 CO 0.17 -0.20 -0.14 0.00 -0.92 0.00 0.00 175.35 174.26 1pk8 s ALA 325 N -0.66 1.33 -0.05 5.17 0.00 -1.26 -0.82 121.76 125.46 1pk8 s ALA 325 Ca -0.08 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.41 1pk8 s ALA 325 Cb -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1pk8 s ALA 325 CO 0.05 0.18 -0.16 0.71 0.00 0.00 0.00 175.76 176.54 1pk8 s TYR 326 N 0.37 1.71 -0.20 0.00 2.02 -0.35 -0.65 117.35 120.25 1pk8 s TYR 326 Ca -0.10 -0.54 -0.10 0.00 -0.37 0.00 0.00 57.07 55.97 1pk8 s TYR 326 Cb -0.13 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.21 1pk8 s TYR 326 CO 0.03 -0.21 0.13 1.41 -1.57 0.00 0.00 175.55 175.34 1pk8 s MET 327 N 0.19 4.14 -0.02 -0.62 -2.45 0.12 -1.14 119.30 119.51 1pk8 s MET 327 Ca -0.07 -0.25 0.07 0.00 -1.25 0.00 0.00 55.69 54.19 1pk8 s MET 327 Cb -0.13 -3.41 -0.02 0.00 1.25 0.00 0.00 34.83 32.52 1pk8 s MET 327 CO 0.03 0.25 -0.24 0.50 1.05 0.00 0.00 175.02 176.61 1pk8 s ARG 328 N 0.49 2.16 -0.16 4.11 3.52 -0.34 -0.37 118.95 128.38 1pk8 s ARG 328 Ca 0.07 -0.90 -0.05 0.00 -0.13 0.00 0.00 55.73 54.73 1pk8 s ARG 328 Cb -0.12 -2.10 0.08 0.00 -1.56 0.00 0.00 34.95 31.25 1pk8 s ARG 328 CO -0.01 0.57 0.28 -0.08 -0.81 0.00 0.00 175.30 175.25 1pk8 s THR 329 N -0.65 -0.44 0.00 4.11 -1.32 -1.26 -1.69 115.64 114.39 1pk8 s THR 329 Ca 0.10 0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.77 1pk8 s THR 329 Cb -0.10 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1pk8 s THR 329 CO -0.00 0.05 0.00 1.87 -2.21 0.00 0.00 174.62 174.32 1pk8 n TRP 335 N 5.35 0.00 -2.63 9.09 -0.00 -1.26 -4.68 117.44 123.31 1pk8 n TRP 335 Ca -0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.02 1pk8 n TRP 335 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.77 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 3.20 -0.28 5.87 1.02 -1.26 -5.08 119.74 123.21 1pk8 s LYS 336 Ca 0.00 -0.34 -0.15 0.00 0.02 0.00 0.00 55.97 55.50 1pk8 s LYS 336 Cb 0.00 -4.18 0.09 0.00 -0.52 0.00 0.00 37.83 33.22 1pk8 s LYS 336 CO 0.00 -2.03 0.68 -0.51 -0.92 0.00 0.00 175.35 172.57 1pk8 s LEU 344 N 5.26 -0.96 -0.12 3.17 1.43 -1.26 -5.24 118.68 120.96 1pk8 s LEU 344 Ca 0.33 1.51 -0.07 0.00 -1.03 0.00 0.00 54.13 54.87 1pk8 s LEU 344 Cb -0.10 2.35 0.05 0.00 0.03 0.00 0.00 46.19 48.51 1pk8 s LEU 344 CO 0.15 -0.24 0.29 -0.70 0.23 0.00 0.00 176.35 176.08 1pk8 s GLU 345 N 1.83 0.27 -0.01 1.70 2.12 0.51 -4.98 118.70 120.13 1pk8 s GLU 345 Ca -0.09 0.58 -0.30 0.00 0.36 0.00 0.00 54.97 55.52 1pk8 s GLU 345 Cb -0.06 -0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.23 1pk8 s GLU 345 CO -0.20 -0.15 1.05 -1.14 -0.54 0.00 0.00 175.26 174.29 1pk8 s GLN 346 N 1.16 4.48 0.35 4.30 0.74 -1.26 0.11 119.66 129.54 1pk8 s GLN 346 Ca -0.08 1.51 0.09 0.00 0.05 0.00 0.00 55.36 56.93 1pk8 s GLN 346 Cb -0.09 -3.46 -0.06 0.00 1.10 0.00 0.00 33.01 30.50 1pk8 s GLN 346 CO -0.09 -0.19 -0.01 0.96 -0.55 0.00 0.00 175.29 175.42 1pk8 s ILE 347 N 1.35 2.48 0.43 -2.34 -4.36 0.18 -4.92 121.20 114.02 1pk8 s ILE 347 Ca 0.53 -2.03 -0.26 0.00 -0.26 0.00 0.00 60.65 58.63 1pk8 s ILE 347 Cb -0.23 -2.77 -0.09 0.00 1.25 0.00 0.00 42.46 40.62 1pk8 s ILE 347 CO 0.26 -0.18 1.43 0.00 0.24 0.00 0.00 174.94 176.68 1pk8 s ALA 348 N -2.55 3.33 -0.04 2.27 0.00 -1.26 -4.00 121.76 119.50 1pk8 s ALA 348 Ca 0.34 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 1pk8 s ALA 348 Cb 0.01 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1pk8 s ALA 348 CO 0.19 -1.11 1.06 -1.64 0.00 0.00 0.00 175.76 174.25 1pk8 s MET 349 N -2.33 4.45 0.35 0.00 1.00 -1.26 -4.86 119.30 116.65 1pk8 s MET 349 Ca 0.58 1.50 0.07 0.00 0.00 0.00 0.00 55.69 57.85 1pk8 s MET 349 Cb -0.44 -3.50 -0.02 0.00 0.00 0.00 0.00 34.83 30.88 1pk8 s MET 349 CO 0.57 -0.26 0.37 -1.54 0.00 0.00 0.00 175.02 174.17 1pk8 s SER 350 N 1.14 5.47 0.47 3.03 1.04 -1.26 -4.98 113.70 118.61 1pk8 s SER 350 Ca 0.52 -0.44 0.26 0.00 0.48 0.00 0.00 55.95 56.77 1pk8 s SER 350 Cb -0.22 -0.96 1.07 0.00 0.10 0.00 0.00 66.02 66.01 1pk8 s SER 350 CO 0.23 -0.45 1.89 0.44 0.98 0.00 0.00 173.24 176.33 1pk8 h ASP 351 N 1.07 0.00 -0.13 7.02 3.32 -1.98 0.08 116.42 125.80 1pk8 h ASP 351 Ca -0.44 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.57 1pk8 h ASP 351 Cb 1.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1pk8 h ASP 351 CO 0.56 0.18 -0.06 -0.09 -1.72 0.00 0.00 179.24 178.10 1pk8 h ARG 352 N 0.00 0.27 -0.45 3.56 2.43 -1.96 -1.04 114.38 117.18 1pk8 h ARG 352 Ca -0.00 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 1pk8 h ARG 352 Cb 0.65 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1pk8 h ARG 352 CO 0.02 0.61 -0.14 1.88 -1.51 0.00 0.00 179.97 180.83 1pk8 h TYR 353 N -0.08 0.94 -0.57 2.20 0.05 -1.84 -2.56 116.97 115.10 1pk8 h TYR 353 Ca 0.03 -0.19 -0.04 0.00 0.05 0.00 0.00 58.73 58.58 1pk8 h TYR 353 Cb 0.53 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 1pk8 h TYR 353 CO 0.07 0.93 0.22 -0.22 -1.05 0.00 0.00 178.16 178.10 1pk8 h LYS 354 N 0.75 0.86 -0.58 4.88 3.64 -0.91 -2.63 116.57 122.59 1pk8 h LYS 354 Ca 0.12 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1pk8 h LYS 354 Cb 0.65 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1pk8 h LYS 354 CO 0.05 0.75 0.36 1.25 -2.27 0.00 0.00 179.45 179.59 1pk8 h LEU 355 N 0.79 0.69 0.31 5.20 5.85 -1.00 0.11 115.31 127.27 1pk8 h LEU 355 Ca 0.19 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1pk8 h LEU 355 Cb 0.22 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1pk8 h LEU 355 CO -0.01 0.54 -0.52 -0.50 -0.34 0.00 0.00 178.44 177.61 1pk8 h TRP 356 N 0.79 -1.47 -0.09 1.25 6.55 -1.14 -0.38 115.95 121.46 1pk8 h TRP 356 Ca 0.21 0.03 -0.12 0.00 0.95 0.00 0.00 58.89 59.95 1pk8 h TRP 356 Cb -0.03 0.60 -0.01 0.00 -0.86 0.00 0.00 29.16 28.86 1pk8 h TRP 356 CO -0.02 -0.64 -0.48 -0.24 -1.05 0.00 0.00 178.44 176.00 1pk8 h VAL 357 N -0.88 1.34 -0.47 1.49 3.04 -1.43 -2.41 116.25 116.93 1pk8 h VAL 357 Ca -0.03 -1.70 -0.04 0.00 -1.01 0.00 0.00 66.70 63.92 1pk8 h VAL 357 Cb 0.82 1.81 -0.02 0.00 -2.01 0.00 0.00 31.29 31.89 1pk8 h VAL 357 CO -0.18 0.50 0.15 0.44 -1.01 0.00 0.00 177.57 177.48 1pk8 h ASP 358 N 0.19 0.68 -0.07 3.17 3.32 -0.56 -0.57 116.42 122.59 1pk8 h ASP 358 Ca 0.01 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1pk8 h ASP 358 Cb 0.93 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 1pk8 h ASP 358 CO 0.07 0.71 0.00 0.71 -1.72 0.00 0.00 179.24 179.01 1pk8 h THR 359 N 0.63 1.24 0.00 0.35 1.35 -0.97 -3.05 112.91 112.45 1pk8 h THR 359 Ca 0.15 -0.74 -0.04 0.00 -0.55 0.00 0.00 66.41 65.23 1pk8 h THR 359 Cb 0.26 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1pk8 h THR 359 CO -0.01 0.20 -0.20 0.00 -0.25 0.00 0.00 175.52 175.27 1pk8 n SER 361 N -3.88 0.00 0.01 0.00 3.41 -0.23 -2.82 113.62 110.12 1pk8 n SER 361 Ca -0.02 0.02 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1pk8 n SER 361 Cb 0.29 -0.25 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.25 0.36 -1.03 4.33 1.02 -0.97 -0.39 120.64 122.71 1pk8 n GLU 362 Ca 0.07 -0.07 -0.32 0.00 -0.02 0.00 0.00 57.16 56.83 1pk8 n GLU 362 Cb 0.11 -1.55 0.13 0.00 -0.02 0.00 0.00 31.44 30.10 1pk8 n GLU 362 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1pk8 s ILE 363 N -3.27 2.49 -1.19 -3.67 -4.36 -1.13 -2.73 121.20 107.33 1pk8 s ILE 363 Ca 0.00 0.18 -0.08 0.00 -0.26 0.00 0.00 60.65 60.49 1pk8 s ILE 363 Cb 0.14 -2.44 0.06 0.00 1.25 0.00 0.00 42.46 41.47 1pk8 s ILE 363 CO 0.86 -0.19 0.39 0.49 0.24 0.00 0.00 174.94 176.73 1pk8 n PHE 364 N -3.69 -1.73 -0.67 1.37 3.72 -1.26 -1.14 117.46 114.06 1pk8 n PHE 364 Ca 0.11 0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.89 1pk8 n PHE 364 Cb 0.52 -2.79 0.00 0.00 -0.94 0.00 0.00 39.48 36.27 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 -1.08 0.81 0.00 1.37 0.00 -1.20 -4.38 105.19 100.70 1pk8 n GLY 365 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.12 3.47 3.21 -0.02 0.00 -0.29 -5.03 105.19 104.40 1pk8 n GLY 366 Ca 0.00 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 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 3.24 0.26 0.99 1.43 0.48 -4.66 118.68 120.41 1pk8 s LEU 367 Ca 0.00 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 1pk8 s LEU 367 Cb 0.00 -1.68 0.33 0.00 0.03 0.00 0.00 46.19 44.86 1pk8 s LEU 367 CO 0.00 -0.13 1.68 0.44 0.23 0.00 0.00 176.35 178.57 1pk8 h ASP 368 N 8.03 0.58 -3.26 2.29 3.32 -1.91 -3.41 116.42 122.06 1pk8 h ASP 368 Ca -0.33 -0.21 -0.57 0.00 0.02 0.00 0.00 57.03 55.95 1pk8 h ASP 368 Cb 1.11 -0.16 -0.35 0.00 0.22 0.00 0.00 39.33 40.15 1pk8 h ASP 368 CO 0.58 0.82 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.46 1pk8 s ILE 369 N -4.50 1.39 0.15 0.35 1.01 -1.26 -1.42 121.20 116.91 1pk8 s ILE 369 Ca -0.08 -0.57 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 1pk8 s ILE 369 Cb 0.13 -1.29 0.06 0.00 0.01 0.00 0.00 42.46 41.38 1pk8 s ILE 369 CO 0.81 0.42 0.89 0.00 0.00 0.00 0.00 174.94 177.06 1pk8 s ALA 371 N -3.38 -1.24 -0.09 0.00 0.00 -0.93 -0.26 121.76 115.85 1pk8 s ALA 371 Ca 0.10 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.64 1pk8 s ALA 371 Cb -0.02 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1pk8 s ALA 371 CO 0.00 -0.48 -0.19 0.08 0.00 0.00 0.00 175.76 175.18 1pk8 s VAL 372 N -2.36 2.58 -0.16 0.00 1.01 0.58 -1.20 120.40 120.85 1pk8 s VAL 372 Ca -0.06 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 1pk8 s VAL 372 Cb -0.01 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1pk8 s VAL 372 CO -0.01 0.55 0.02 -1.61 0.00 0.00 0.00 175.10 174.06 1pk8 s GLU 373 N 0.05 3.76 0.02 2.72 2.02 0.25 -1.06 118.70 126.47 1pk8 s GLU 373 Ca -0.07 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.53 1pk8 s GLU 373 Cb -0.15 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 1pk8 s GLU 373 CO 0.05 0.32 -0.06 0.00 0.02 0.00 0.00 175.26 175.59 1pk8 s ALA 374 N 0.20 0.44 -0.16 5.21 0.00 -0.31 -0.56 121.76 126.59 1pk8 s ALA 374 Ca 0.02 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 1pk8 s ALA 374 Cb -0.13 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 1pk8 s ALA 374 CO 0.01 -0.00 -0.00 -0.51 0.00 0.00 0.00 175.76 175.26 1pk8 s LEU 375 N -1.08 3.45 -0.47 0.00 1.43 0.65 -0.28 118.68 122.38 1pk8 s LEU 375 Ca -0.07 -0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.84 1pk8 s LEU 375 Cb -0.07 -1.84 0.07 0.00 0.03 0.00 0.00 46.19 44.38 1pk8 s LEU 375 CO 0.00 0.19 0.39 -2.28 0.23 0.00 0.00 176.35 174.89 1pk8 s HIS 376 N 0.23 3.24 0.78 0.29 5.65 0.07 -0.27 115.29 125.28 1pk8 s HIS 376 Ca -0.00 -0.90 -0.13 0.00 0.25 0.00 0.00 55.06 54.28 1pk8 s HIS 376 Cb -0.13 -3.14 0.07 0.00 -1.18 0.00 0.00 32.58 28.19 1pk8 s HIS 376 CO 0.02 -0.79 1.15 0.20 -0.65 0.00 0.00 174.74 174.67 1pk8 s GLY 377 N 2.55 1.97 0.56 1.59 0.00 0.11 -0.95 107.32 113.14 1pk8 s GLY 377 Ca 0.04 0.60 0.28 0.00 0.00 0.00 0.00 44.72 45.64 1pk8 s GLY 377 CO 0.07 0.98 2.17 0.50 0.00 0.00 0.00 173.10 176.82 1pk8 h LYS 378 N -0.88 0.00 -0.61 2.90 1.57 -1.53 -0.34 116.57 117.69 1pk8 h LYS 378 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1pk8 h LYS 378 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1pk8 h LYS 378 CO 0.48 0.06 0.00 -0.40 -0.57 0.00 0.00 179.45 179.02 1pk8 n ASP 379 N -3.78 0.66 0.00 0.86 5.75 -1.26 -4.86 116.55 113.92 1pk8 n ASP 379 Ca -0.02 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1pk8 n ASP 379 Cb 0.15 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1pk8 n ASP 379 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pk8 n GLY 380 N 0.21 0.61 3.90 6.12 0.00 -0.14 -5.03 105.19 110.86 1pk8 n GLY 380 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.26 3.51 0.27 1.61 0.52 -1.25 -4.87 118.95 118.48 1pk8 s ARG 381 Ca 0.00 -0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1pk8 s ARG 381 Cb 0.00 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 1pk8 s ARG 381 CO 0.00 0.62 0.48 -0.51 0.02 0.00 0.00 175.30 175.91 1pk8 s ASP 382 N -2.09 6.38 -0.22 0.23 1.01 -1.26 0.03 116.67 120.75 1pk8 s ASP 382 Ca 0.31 0.50 -0.03 0.00 0.71 0.00 0.00 52.55 54.04 1pk8 s ASP 382 Cb -0.13 -2.05 0.10 0.00 1.01 0.00 0.00 42.92 41.85 1pk8 s ASP 382 CO 0.21 -0.16 0.23 -1.00 0.21 0.00 0.00 175.17 174.67 1pk8 s HIS 383 N -2.05 -0.29 -0.14 4.23 3.76 0.62 -4.86 115.29 116.56 1pk8 s HIS 383 Ca 0.40 0.10 -0.29 0.00 -0.15 0.00 0.00 55.06 55.12 1pk8 s HIS 383 Cb -0.10 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.16 1pk8 s HIS 383 CO 0.31 -0.68 1.24 0.42 -0.85 0.00 0.00 174.74 175.19 1pk8 s ILE 384 N 2.32 4.29 -0.07 0.60 1.01 0.48 -0.25 121.20 129.57 1pk8 s ILE 384 Ca 0.08 1.57 0.13 0.00 0.00 0.00 0.00 60.65 62.43 1pk8 s ILE 384 Cb -0.15 -4.01 -0.20 0.00 0.01 0.00 0.00 42.46 38.11 1pk8 s ILE 384 CO -0.17 -0.11 0.19 2.30 0.00 0.00 0.00 174.94 177.15 1pk8 n ILE 385 N 5.21 0.43 -3.55 2.92 -5.35 0.28 -0.54 119.36 118.75 1pk8 n ILE 385 Ca 0.13 -0.44 -0.06 0.00 -0.27 0.00 0.00 62.75 62.11 1pk8 n ILE 385 Cb 0.45 -0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.12 1pk8 n ILE 385 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1pk8 s GLU 386 N -2.69 0.54 -0.07 6.28 -1.05 -1.19 -5.00 118.70 115.53 1pk8 s GLU 386 Ca -0.06 -0.18 0.04 0.00 -0.15 0.00 0.00 54.97 54.62 1pk8 s GLU 386 Cb 0.07 0.25 -0.00 0.00 -0.44 0.00 0.00 34.13 34.01 1pk8 s GLU 386 CO 0.58 -0.23 -0.20 0.54 0.95 0.00 0.00 175.26 176.89 1pk8 s VAL 387 N -2.65 1.73 0.19 1.83 0.11 -1.26 -0.58 120.40 119.77 1pk8 s VAL 387 Ca 0.07 -0.86 0.09 0.00 -2.93 0.00 0.00 61.98 58.35 1pk8 s VAL 387 Cb -0.01 -1.49 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 1pk8 s VAL 387 CO -0.06 0.49 -0.07 0.68 -3.33 0.00 0.00 175.10 172.80 1pk8 s VAL 388 N 0.16 3.28 0.00 2.04 -7.23 -0.34 -4.96 120.40 113.35 1pk8 s VAL 388 Ca -0.09 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1pk8 s VAL 388 Cb -0.15 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1pk8 s VAL 388 CO 0.05 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1pk8 n GLY 389 N -0.14 1.74 0.00 2.32 0.00 -1.26 -2.18 105.19 105.67 1pk8 n GLY 389 Ca -0.10 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.09 1.61 3.41 -1.13 -1.39 113.62 115.03 1pk8 n SER 390 Ca 0.00 0.26 0.10 0.00 -0.26 0.00 0.00 58.87 58.97 1pk8 n SER 390 Cb 0.00 -0.30 0.27 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.30 3.17 -4.68 4.04 3.41 -1.26 -4.33 113.62 112.68 1pk8 n SER 391 Ca 0.01 -1.98 -0.45 0.00 -0.26 0.00 0.00 58.87 56.19 1pk8 n SER 391 Cb 0.02 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.25 2.32 -2.11 4.33 3.85 -0.48 -4.84 117.12 121.43 1pk8 n MET 392 Ca 0.20 0.84 -0.37 0.00 -1.00 0.00 0.00 57.70 57.37 1pk8 n MET 392 Cb 0.51 -2.65 0.01 0.00 -1.05 0.00 0.00 33.22 30.04 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 1.69 3.52 -0.21 3.17 0.04 -1.26 -4.98 135.00 136.98 1pk8 s PRO 393 Ca 0.81 1.90 -0.20 0.00 0.04 0.00 0.00 61.00 63.54 1pk8 s PRO 393 Cb -0.63 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 1pk8 s PRO 393 CO 0.39 -0.78 0.61 -0.51 0.04 0.00 0.00 177.00 176.75 1pk8 s LEU 394 N -3.26 4.13 0.46 -3.56 1.43 -1.26 -5.06 118.68 111.57 1pk8 s LEU 394 Ca 0.67 0.78 0.04 0.00 -1.03 0.00 0.00 54.13 54.59 1pk8 s LEU 394 Cb -0.32 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 1pk8 s LEU 394 CO 0.38 -0.27 0.01 0.27 0.23 0.00 0.00 176.35 176.97 1pk8 s ILE 395 N 1.93 1.50 0.00 -0.59 -4.36 -1.26 -4.93 121.20 113.49 1pk8 s ILE 395 Ca 0.27 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1pk8 s ILE 395 Cb -0.16 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.02 1pk8 s ILE 395 CO 0.10 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.89 1pk8 n GLY 396 N -1.12 -1.20 0.43 6.27 0.00 -1.26 -4.23 105.19 104.07 1pk8 n GLY 396 Ca -0.13 -1.23 0.10 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.54 1.29 -1.27 1.61 9.92 -1.26 -4.17 116.55 122.12 1pk8 n ASP 397 Ca 0.00 -1.68 -0.05 0.00 -0.53 0.00 0.00 54.79 52.53 1pk8 n ASP 397 Cb 0.00 -0.09 0.12 0.00 -0.64 0.00 0.00 41.12 40.51 1pk8 n ASP 397 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1pk8 n HIS 398 N 0.08 1.00 -0.35 1.24 8.25 -1.26 -4.76 115.22 119.42 1pk8 n HIS 398 Ca 0.15 -1.70 -0.03 0.00 -0.26 0.00 0.00 57.72 55.89 1pk8 n HIS 398 Cb 0.26 -0.27 0.10 0.00 1.12 0.00 0.00 29.99 31.20 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 1.48 1.25 -0.70 -0.41 4.20 -1.75 -0.33 115.11 118.85 1pk8 h GLN 399 Ca 0.10 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1pk8 h GLN 399 Cb 1.27 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 1pk8 h GLN 399 CO 0.27 0.83 0.22 0.22 -0.67 0.00 0.00 178.83 179.71 1pk8 h ASP 400 N 1.28 1.03 -0.47 1.46 3.58 -1.94 -0.43 116.42 120.93 1pk8 h ASP 400 Ca 0.35 -0.21 -0.10 0.00 0.42 0.00 0.00 57.03 57.49 1pk8 h ASP 400 Cb -0.14 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.62 1pk8 h ASP 400 CO -0.07 0.96 -0.09 -0.08 -2.88 0.00 0.00 179.24 177.08 1pk8 h GLU 401 N 1.04 0.90 -0.70 0.28 4.81 -1.78 -2.06 114.58 117.06 1pk8 h GLU 401 Ca 0.23 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1pk8 h GLU 401 Cb 0.30 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1pk8 h GLU 401 CO -0.01 0.98 0.35 -0.44 -0.73 0.00 0.00 179.01 179.16 1pk8 h ASP 402 N 0.74 0.88 -0.53 1.04 3.32 -0.72 0.64 116.42 121.80 1pk8 h ASP 402 Ca 0.12 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 1pk8 h ASP 402 Cb 0.63 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1pk8 h ASP 402 CO 0.04 0.74 -0.12 0.11 -1.72 0.00 0.00 179.24 178.29 1pk8 h LYS 403 N 0.98 1.02 0.00 3.56 1.57 -0.86 -0.76 116.57 122.08 1pk8 h LYS 403 Ca 0.24 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1pk8 h LYS 403 Cb 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1pk8 h LYS 403 CO -0.03 1.07 -0.38 1.96 -0.57 0.00 0.00 179.45 181.49 1pk8 h GLN 404 N 0.89 0.00 -0.27 3.15 4.20 -0.83 -0.60 115.11 121.65 1pk8 h GLN 404 Ca 0.14 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.68 1pk8 h GLN 404 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1pk8 h GLN 404 CO 0.05 0.38 -0.49 -0.07 -0.67 0.00 0.00 178.83 178.04 1pk8 h LEU 405 N 0.00 0.89 -0.75 1.46 3.38 -0.43 -1.38 115.31 118.49 1pk8 h LEU 405 Ca -0.00 -0.53 -0.10 0.00 0.09 0.00 0.00 57.88 57.34 1pk8 h LEU 405 Cb 0.71 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1pk8 h LEU 405 CO 0.05 1.26 -0.10 0.40 0.09 0.00 0.00 178.44 180.14 1pk8 h ILE 406 N 0.56 1.26 0.13 1.22 2.04 -0.80 -1.13 117.51 120.80 1pk8 h ILE 406 Ca 0.01 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1pk8 h ILE 406 Cb 1.09 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1pk8 h ILE 406 CO 0.11 0.41 -0.12 0.58 0.00 0.00 0.00 178.15 179.13 1pk8 h VAL 407 N 0.77 0.73 -0.78 1.67 2.07 -0.96 -0.36 116.25 119.39 1pk8 h VAL 407 Ca 0.13 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.73 1pk8 h VAL 407 Cb 0.61 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 1pk8 h VAL 407 CO 0.04 0.00 0.44 -0.08 0.02 0.00 0.00 177.57 177.99 1pk8 h GLU 408 N -0.28 0.74 0.62 1.57 4.81 -1.00 0.11 114.58 121.17 1pk8 h GLU 408 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1pk8 h GLU 408 Cb 0.26 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1pk8 h GLU 408 CO -0.03 0.49 -0.31 1.25 -0.73 0.00 0.00 179.01 179.69 1pk8 h LEU 409 N 0.77 -0.75 -1.06 1.64 5.85 -0.83 -2.02 115.31 118.91 1pk8 h LEU 409 Ca 0.36 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.16 1pk8 h LEU 409 Cb 0.29 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1pk8 h LEU 409 CO -0.22 -0.52 0.63 0.58 -0.34 0.00 0.00 178.44 178.57 1pk8 h VAL 410 N -0.85 1.14 -0.71 1.05 2.07 -0.71 -0.38 116.25 117.86 1pk8 h VAL 410 Ca -0.08 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1pk8 h VAL 410 Cb 0.66 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1pk8 h VAL 410 CO 0.13 0.22 0.36 0.58 0.02 0.00 0.00 177.57 178.88 1pk8 h VAL 411 N 1.19 1.23 -0.33 2.57 2.07 -0.63 0.90 116.25 123.25 1pk8 h VAL 411 Ca 0.40 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1pk8 h VAL 411 Cb 0.07 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1pk8 h VAL 411 CO -0.13 0.26 -0.04 0.78 0.02 0.00 0.00 177.57 178.46 1pk8 h ASN 412 N 0.99 0.60 -0.56 0.57 2.35 -0.59 -0.59 115.58 118.35 1pk8 h ASN 412 Ca 0.25 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1pk8 h ASN 412 Cb 0.09 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1pk8 h ASN 412 CO -0.03 0.80 0.30 0.11 -1.65 0.00 0.00 177.43 176.95 1pk8 h LYS 413 N 0.39 0.80 -0.63 0.81 1.79 -0.82 -1.87 116.57 117.04 1pk8 h LYS 413 Ca 0.09 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1pk8 h LYS 413 Cb 0.52 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1pk8 h LYS 413 CO 0.03 0.62 0.39 0.52 -1.08 0.00 0.00 179.45 179.92 1pk8 h MET 414 N 0.76 0.86 -0.99 3.15 2.86 -0.72 0.47 114.93 121.32 1pk8 h MET 414 Ca 0.20 -0.08 0.10 0.00 -2.06 0.00 0.00 59.70 57.86 1pk8 h MET 414 Cb 0.07 -0.18 -0.08 0.00 0.06 0.00 0.00 31.60 31.47 1pk8 h MET 414 CO -0.03 0.61 0.63 1.15 1.06 0.00 0.00 176.91 180.33 1pk8 h THR 415 N 0.86 0.97 0.23 2.22 2.02 -0.53 -2.70 112.91 115.98 1pk8 h THR 415 Ca 0.23 -0.35 -0.34 0.00 0.77 0.00 0.00 66.41 66.71 1pk8 h THR 415 Cb -0.03 -0.15 0.03 0.00 -1.74 0.00 0.00 68.15 66.26 1pk8 h THR 415 CO -0.04 0.19 -1.57 1.56 0.37 0.00 0.00 175.52 176.02 1pk8 h GLN 416 N 1.03 0.49 0.00 6.66 4.20 -0.64 -3.49 115.11 123.35 1pk8 h GLN 416 Ca 0.47 -0.84 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1pk8 h GLN 416 Cb 0.40 0.31 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1pk8 h GLN 416 CO -0.23 1.40 0.00 0.00 -0.67 0.00 0.00 178.83 179.33