#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 2.13 -0.11 0.00 0.00 -1.26 -4.60 121.76 117.92 1pk8 s ALA 113 Ca 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 1pk8 s ALA 113 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1pk8 s ALA 113 CO 0.00 -1.88 0.16 0.50 0.00 0.00 0.00 175.76 174.54 1pk8 s ARG 114 N -4.61 3.49 -0.28 0.00 6.06 0.68 -4.91 118.95 119.37 1pk8 s ARG 114 Ca 0.65 -0.10 -0.09 0.00 -2.50 0.00 0.00 55.73 53.69 1pk8 s ARG 114 Cb -0.20 -3.20 -0.02 0.00 0.06 0.00 0.00 34.95 31.59 1pk8 s ARG 114 CO 0.53 0.76 0.12 0.08 -2.50 0.00 0.00 175.30 174.29 1pk8 s VAL 115 N -1.00 4.56 -0.29 7.11 1.01 -1.26 0.57 120.40 131.10 1pk8 s VAL 115 Ca 0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 1pk8 s VAL 115 Cb -0.12 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1pk8 s VAL 115 CO 0.04 0.20 0.07 -0.22 0.00 0.00 0.00 175.10 175.19 1pk8 s LEU 116 N 1.63 3.78 -0.31 3.92 2.96 -0.13 0.71 118.68 131.23 1pk8 s LEU 116 Ca 0.06 -0.67 -0.18 0.00 -0.22 0.00 0.00 54.13 53.12 1pk8 s LEU 116 Cb -0.16 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1pk8 s LEU 116 CO 0.06 -0.17 0.50 -0.22 -1.32 0.00 0.00 176.35 175.20 1pk8 s LEU 117 N 1.50 4.20 -0.25 -0.68 2.96 0.25 -1.02 118.68 125.64 1pk8 s LEU 117 Ca 0.03 0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 54.07 1pk8 s LEU 117 Cb -0.17 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1pk8 s LEU 117 CO 0.02 -0.38 0.10 -0.69 -1.32 0.00 0.00 176.35 174.08 1pk8 s VAL 118 N 2.34 4.62 -0.50 1.68 1.01 0.12 -0.88 120.40 128.80 1pk8 s VAL 118 Ca 0.19 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 1pk8 s VAL 118 Cb -0.15 -3.16 0.08 0.00 0.00 0.00 0.00 36.38 33.14 1pk8 s VAL 118 CO 0.11 0.33 0.49 -0.63 0.00 0.00 0.00 175.10 175.41 1pk8 s ILE 119 N 1.53 5.10 0.02 2.22 1.01 0.33 -2.35 121.20 129.06 1pk8 s ILE 119 Ca 0.06 -0.92 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 1pk8 s ILE 119 Cb -0.15 -4.22 0.09 0.00 0.01 0.00 0.00 42.46 38.19 1pk8 s ILE 119 CO 0.05 -0.71 0.77 -0.62 0.00 0.00 0.00 174.94 174.44 1pk8 s ASP 120 N 2.78 -0.48 0.87 3.58 2.15 -1.07 -1.09 116.67 123.41 1pk8 s ASP 120 Ca 0.08 0.17 -0.11 0.00 0.43 0.00 0.00 52.55 53.12 1pk8 s ASP 120 Cb -0.23 0.47 0.12 0.00 -0.30 0.00 0.00 42.92 42.98 1pk8 s ASP 120 CO 0.08 -0.70 1.17 -1.83 -0.17 0.00 0.00 175.17 173.72 1pk8 s GLU 121 N -2.76 1.25 0.46 4.34 -1.05 -1.26 -4.01 118.70 115.68 1pk8 s GLU 121 Ca 0.00 1.64 0.32 0.00 -0.15 0.00 0.00 54.97 56.78 1pk8 s GLU 121 Cb -0.01 -1.74 1.61 0.00 -0.44 0.00 0.00 34.13 33.55 1pk8 s GLU 121 CO -0.06 -2.48 1.96 -1.00 0.95 0.00 0.00 175.26 174.63 1pk8 h PRO 122 N -1.49 0.00 0.00 -4.83 0.13 -1.97 -3.29 132.00 120.55 1pk8 h PRO 122 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1pk8 h PRO 122 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1pk8 h PRO 122 CO 0.43 0.00 0.06 1.25 -0.23 0.00 0.00 178.00 179.51 1pk8 h HIS 123 N 0.00 0.00 -3.29 1.56 2.76 -2.05 -3.39 115.15 110.74 1pk8 h HIS 123 Ca 0.00 0.00 -0.67 0.00 -2.20 0.00 0.00 60.37 57.50 1pk8 h HIS 123 Cb 0.12 0.00 -0.31 0.00 1.55 0.00 0.00 27.41 28.77 1pk8 h HIS 123 CO 0.00 0.00 -0.83 0.99 -1.30 0.00 0.00 177.93 176.79 1pk8 s THR 124 N -3.77 2.49 -0.77 6.26 2.01 -1.24 -5.07 115.64 115.54 1pk8 s THR 124 Ca -0.03 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 60.95 1pk8 s THR 124 Cb 0.08 -2.02 0.16 0.00 0.01 0.00 0.00 72.50 70.73 1pk8 s THR 124 CO 0.27 0.53 0.84 -0.62 -0.69 0.00 0.00 174.62 174.95 1pk8 s ASP 125 N 0.61 6.53 0.39 3.53 2.15 -1.26 -4.87 116.67 123.75 1pk8 s ASP 125 Ca -0.10 -2.10 0.20 0.00 0.43 0.00 0.00 52.55 50.98 1pk8 s ASP 125 Cb -0.16 -2.29 0.78 0.00 -0.30 0.00 0.00 42.92 40.95 1pk8 s ASP 125 CO 0.03 -0.88 1.78 -0.50 -0.17 0.00 0.00 175.17 175.43 1pk8 h TRP 126 N 8.54 0.00 0.00 -5.34 4.06 -1.97 -2.67 115.95 118.58 1pk8 h TRP 126 Ca -0.02 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1pk8 h TRP 126 Cb 1.05 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.21 1pk8 h TRP 126 CO 1.00 0.34 -0.08 0.00 -3.56 0.00 0.00 178.44 176.14 1pk8 h ALA 127 N 1.66 1.42 0.02 1.49 0.00 -1.90 0.54 119.26 122.49 1pk8 h ALA 127 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pk8 h ALA 127 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pk8 h ALA 127 CO 0.04 0.10 -0.01 -0.22 0.00 0.00 0.00 179.25 179.16 1pk8 h LYS 128 N 0.00 -0.02 -0.32 0.00 3.64 -1.89 -2.27 116.57 115.71 1pk8 h LYS 128 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1pk8 h LYS 128 Cb 0.20 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1pk8 h LYS 128 CO 0.01 0.74 0.02 1.88 -2.27 0.00 0.00 179.45 179.83 1pk8 h TYR 129 N -0.84 0.50 0.00 1.91 0.05 -1.41 -2.45 116.97 114.73 1pk8 h TYR 129 Ca -0.00 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1pk8 h TYR 129 Cb 0.77 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.36 1pk8 h TYR 129 CO 0.20 0.48 -0.41 0.74 -1.05 0.00 0.00 178.16 178.12 1pk8 h PHE 130 N 0.47 0.00 -1.37 4.88 0.04 -1.01 -3.47 116.94 116.48 1pk8 h PHE 130 Ca 0.11 0.00 -0.73 0.00 2.80 0.00 0.00 57.97 60.15 1pk8 h PHE 130 Cb 0.28 0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.49 1pk8 h PHE 130 CO 0.01 0.00 0.22 1.17 -0.60 0.00 0.00 178.31 179.11 1pk8 n LYS 131 N -2.36 0.59 0.00 1.51 4.81 -0.85 -0.82 118.16 121.04 1pk8 n LYS 131 Ca 0.04 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1pk8 n LYS 131 Cb 0.46 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.76 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 2.00 2.97 3.74 3.14 0.00 -1.26 -4.98 105.19 110.80 1pk8 n GLY 132 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 4.39 0.02 1.61 -0.14 -0.00 -5.01 119.74 120.60 1pk8 s LYS 133 Ca 0.00 2.06 0.04 0.00 -1.36 0.00 0.00 55.97 56.70 1pk8 s LYS 133 Cb 0.00 -3.19 -0.02 0.00 -1.68 0.00 0.00 37.83 32.94 1pk8 s LYS 133 CO 0.00 -0.26 -0.12 0.15 -0.76 0.00 0.00 175.35 174.36 1pk8 s LYS 134 N -0.09 0.85 0.02 1.68 1.02 -1.26 -4.08 119.74 117.87 1pk8 s LYS 134 Ca 0.57 -0.61 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 1pk8 s LYS 134 Cb -0.36 -0.82 -0.05 0.00 -0.52 0.00 0.00 37.83 36.08 1pk8 s LYS 134 CO 0.38 0.21 1.17 0.42 -0.92 0.00 0.00 175.35 176.61 1pk8 s ILE 135 N -0.67 4.22 0.00 2.17 1.01 0.25 -4.58 121.20 123.60 1pk8 s ILE 135 Ca 0.01 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1pk8 s ILE 135 Cb -0.07 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1pk8 s ILE 135 CO 0.01 0.09 0.00 1.41 0.00 0.00 0.00 174.94 176.44 1pk8 n HIS 136 N 4.30 0.00 -2.20 3.97 8.25 -1.26 -3.03 115.22 125.25 1pk8 n HIS 136 Ca 0.09 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.54 1pk8 n HIS 136 Cb 0.47 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 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 0.00 0.76 0.96 -1.41 0.00 -1.26 -4.96 105.19 99.28 1pk8 n GLY 137 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.20 0.00 -2.38 1.61 0.00 -1.17 -5.12 120.64 113.78 1pk8 n GLU 138 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.69 1pk8 n GLU 138 Cb 0.85 -0.14 -0.03 0.00 0.00 0.00 0.00 31.44 32.12 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 -1.48 3.55 0.55 3.84 1.01 -1.17 -4.91 121.20 122.59 1pk8 s ILE 139 Ca 0.00 1.33 0.02 0.00 0.00 0.00 0.00 60.65 61.99 1pk8 s ILE 139 Cb 0.00 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.66 1pk8 s ILE 139 CO 0.00 0.22 0.77 -1.81 0.00 0.00 0.00 174.94 174.13 1pk8 s ASP 140 N 0.02 5.25 -0.10 3.58 1.01 -1.26 -0.58 116.67 124.58 1pk8 s ASP 140 Ca 0.52 -0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.73 1pk8 s ASP 140 Cb -0.33 -0.82 0.02 0.00 1.01 0.00 0.00 42.92 42.81 1pk8 s ASP 140 CO 0.37 -1.16 -0.09 -0.63 0.21 0.00 0.00 175.17 173.87 1pk8 s ILE 141 N -2.76 1.08 -0.20 0.77 1.01 -1.26 -0.23 121.20 119.60 1pk8 s ILE 141 Ca 0.58 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.75 1pk8 s ILE 141 Cb -0.10 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 1pk8 s ILE 141 CO 0.38 0.37 0.20 -0.75 0.00 0.00 0.00 174.94 175.14 1pk8 s LYS 142 N 1.38 4.17 -0.20 2.79 2.47 0.19 -4.91 119.74 125.63 1pk8 s LYS 142 Ca -0.01 -0.13 -0.14 0.00 -1.56 0.00 0.00 55.97 54.14 1pk8 s LYS 142 Cb -0.14 -3.47 -0.04 0.00 -1.46 0.00 0.00 37.83 32.72 1pk8 s LYS 142 CO -0.05 0.19 0.30 0.08 0.16 0.00 0.00 175.35 176.02 1pk8 s VAL 143 N 0.67 5.28 -0.16 4.02 1.01 -1.26 -0.96 120.40 129.00 1pk8 s VAL 143 Ca 0.11 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1pk8 s VAL 143 Cb -0.12 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1pk8 s VAL 143 CO 0.02 0.32 -0.19 -1.61 0.00 0.00 0.00 175.10 173.63 1pk8 s GLU 144 N 1.00 3.06 -0.07 2.72 0.41 -0.19 -4.90 118.70 120.73 1pk8 s GLU 144 Ca 0.15 -0.82 0.03 0.00 -0.41 0.00 0.00 54.97 53.92 1pk8 s GLU 144 Cb -0.14 -2.54 0.01 0.00 -1.78 0.00 0.00 34.13 29.68 1pk8 s GLU 144 CO 0.06 -0.08 -0.17 -1.14 -0.49 0.00 0.00 175.26 173.43 1pk8 s GLN 145 N 1.00 2.12 0.09 1.61 0.74 -1.26 0.12 119.66 124.09 1pk8 s GLN 145 Ca -0.02 -0.59 -0.25 0.00 0.05 0.00 0.00 55.36 54.54 1pk8 s GLN 145 Cb -0.15 -1.70 0.08 0.00 1.10 0.00 0.00 33.01 32.34 1pk8 s GLN 145 CO -0.05 0.12 0.67 0.00 -0.55 0.00 0.00 175.29 175.47 1pk8 s ALA 146 N 0.44 -1.67 0.38 1.58 0.00 -0.99 -4.99 121.76 116.50 1pk8 s ALA 146 Ca -0.14 0.75 -0.10 0.00 0.00 0.00 0.00 51.96 52.47 1pk8 s ALA 146 Cb -0.16 0.62 -0.07 0.00 0.00 0.00 0.00 23.12 23.51 1pk8 s ALA 146 CO 0.05 -0.67 0.74 -1.21 0.00 0.00 0.00 175.76 174.66 1pk8 s GLU 147 N -3.13 3.79 0.33 0.00 2.02 -1.26 -2.59 118.70 117.86 1pk8 s GLU 147 Ca -0.01 0.44 0.10 0.00 0.02 0.00 0.00 54.97 55.52 1pk8 s GLU 147 Cb -0.01 -2.43 0.88 0.00 0.10 0.00 0.00 34.13 32.67 1pk8 s GLU 147 CO -0.08 0.02 1.75 0.74 0.02 0.00 0.00 175.26 177.72 1pk8 h PHE 148 N 1.46 0.97 0.00 1.61 0.04 -1.92 0.22 116.94 119.32 1pk8 h PHE 148 Ca -0.47 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1pk8 h PHE 148 Cb 1.19 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.05 1pk8 h PHE 148 CO 0.60 0.12 0.00 -1.13 -0.60 0.00 0.00 178.31 177.30 1pk8 n SER 149 N -4.80 0.32 -0.66 2.17 3.41 -1.26 -2.11 113.62 110.68 1pk8 n SER 149 Ca 0.25 0.61 0.05 0.00 -0.26 0.00 0.00 58.87 59.52 1pk8 n SER 149 Cb 0.71 -0.67 0.20 0.00 -0.26 0.00 0.00 64.21 64.20 1pk8 n SER 149 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pk8 n ASP 150 N -1.89 2.46 -4.27 4.04 8.00 0.06 -5.03 116.55 119.93 1pk8 n ASP 150 Ca 0.01 -3.50 -0.20 0.00 0.71 0.00 0.00 54.79 51.81 1pk8 n ASP 150 Cb 0.10 -0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.56 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 -3.08 2.40 0.28 0.64 1.43 -0.90 -1.47 118.68 117.98 1pk8 s LEU 151 Ca 0.39 -0.81 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 1pk8 s LEU 151 Cb 0.35 -0.68 0.04 0.00 0.03 0.00 0.00 46.19 45.93 1pk8 s LEU 151 CO 0.00 -0.08 0.81 0.21 0.23 0.00 0.00 176.35 177.52 1pk8 s ASN 152 N -2.43 -0.15 0.16 2.29 3.84 -0.97 -5.00 114.94 112.68 1pk8 s ASN 152 Ca 0.10 -0.73 -0.24 0.00 0.21 0.00 0.00 52.86 52.21 1pk8 s ASN 152 Cb -0.06 0.70 0.07 0.00 -0.55 0.00 0.00 41.25 41.42 1pk8 s ASN 152 CO 0.04 -1.34 1.02 -1.48 -2.79 0.00 0.00 177.10 172.55 1pk8 s LEU 153 N -3.01 -0.07 -0.09 3.21 0.05 -1.26 -0.59 118.68 116.92 1pk8 s LEU 153 Ca 0.13 -0.53 -0.04 0.00 0.05 0.00 0.00 54.13 53.74 1pk8 s LEU 153 Cb -0.05 2.08 0.04 0.00 -2.05 0.00 0.00 46.19 46.22 1pk8 s LEU 153 CO 0.07 -0.92 0.19 0.54 -0.55 0.00 0.00 176.35 175.68 1pk8 s VAL 154 N -2.65 -0.12 0.02 1.48 0.11 -0.46 -4.98 120.40 113.80 1pk8 s VAL 154 Ca 0.17 0.21 0.06 0.00 -2.93 0.00 0.00 61.98 59.49 1pk8 s VAL 154 Cb -0.02 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1pk8 s VAL 154 CO 0.04 0.09 -0.18 0.00 -3.33 0.00 0.00 175.10 171.72 1pk8 s ALA 155 N 1.52 1.49 0.08 1.54 0.00 -1.26 -1.27 121.76 123.85 1pk8 s ALA 155 Ca -0.06 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.11 1pk8 s ALA 155 Cb -0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1pk8 s ALA 155 CO -0.07 0.34 -0.15 -1.01 0.00 0.00 0.00 175.76 174.87 1pk8 s HIS 156 N -0.62 2.63 0.36 0.00 3.76 0.77 -4.99 115.29 117.20 1pk8 s HIS 156 Ca 0.06 -0.21 0.05 0.00 -0.15 0.00 0.00 55.06 54.81 1pk8 s HIS 156 Cb -0.08 -1.43 0.68 0.00 1.11 0.00 0.00 32.58 32.87 1pk8 s HIS 156 CO 0.01 0.36 1.93 0.00 -0.85 0.00 0.00 174.74 176.19 1pk8 h ALA 157 N 4.01 1.48 0.00 -1.40 0.00 -1.88 -1.81 119.26 119.65 1pk8 h ALA 157 Ca -0.49 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1pk8 h ALA 157 Cb 1.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1pk8 h ALA 157 CO 0.49 0.39 0.00 0.27 0.00 0.00 0.00 179.25 180.40 1pk8 n ASN 158 N -4.34 0.00 0.00 0.00 0.23 -1.26 -4.83 115.26 105.06 1pk8 n ASN 158 Ca 0.02 -0.74 0.00 0.00 -0.53 0.00 0.00 54.58 53.33 1pk8 n ASN 158 Cb 0.18 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 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 -0.00 3.10 3.77 4.83 0.00 -0.68 -5.07 105.19 111.14 1pk8 n GLY 159 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.82 2.82 0.09 -0.02 0.00 -1.26 -4.80 107.32 101.32 1pk8 s GLY 160 Ca 0.00 0.92 -0.26 0.00 0.00 0.00 0.00 44.72 45.38 1pk8 s GLY 160 CO 0.00 1.41 0.80 -0.11 0.00 0.00 0.00 173.10 175.20 1pk8 s PHE 161 N -1.49 -0.36 -0.15 1.90 -0.71 -1.26 -0.16 117.98 115.75 1pk8 s PHE 161 Ca 0.59 0.15 -0.11 0.00 -1.04 0.00 0.00 56.93 56.52 1pk8 s PHE 161 Cb -0.29 0.57 0.05 0.00 -1.21 0.00 0.00 43.02 42.14 1pk8 s PHE 161 CO 0.36 -0.72 0.38 0.45 -1.34 0.00 0.00 175.22 174.35 1pk8 s SER 162 N -2.66 -0.43 -0.15 1.98 0.15 -0.40 -4.88 113.70 107.32 1pk8 s SER 162 Ca 0.05 0.80 -0.04 0.00 0.70 0.00 0.00 55.95 57.46 1pk8 s SER 162 Cb -0.01 0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 65.01 1pk8 s SER 162 CO -0.07 -0.16 -0.02 -0.69 1.20 0.00 0.00 173.24 173.50 1pk8 s VAL 163 N 0.73 4.08 -0.25 4.45 1.01 -0.31 -1.35 120.40 128.76 1pk8 s VAL 163 Ca -0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1pk8 s VAL 163 Cb -0.05 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1pk8 s VAL 163 CO -0.05 0.51 0.01 -1.81 0.00 0.00 0.00 175.10 173.75 1pk8 s ASP 164 N 0.16 4.66 -0.20 3.32 1.01 0.24 -0.44 116.67 125.42 1pk8 s ASP 164 Ca -0.00 -0.49 -0.06 0.00 0.71 0.00 0.00 52.55 52.71 1pk8 s ASP 164 Cb -0.13 -1.80 -0.03 0.00 1.01 0.00 0.00 42.92 41.97 1pk8 s ASP 164 CO 0.02 -0.08 0.02 -0.32 0.21 0.00 0.00 175.17 175.03 1pk8 s MET 165 N 1.49 3.71 -0.22 8.23 -2.45 0.93 -2.29 119.30 128.69 1pk8 s MET 165 Ca 0.04 -0.47 -0.15 0.00 -1.25 0.00 0.00 55.69 53.86 1pk8 s MET 165 Cb -0.15 -3.14 -0.04 0.00 1.25 0.00 0.00 34.83 32.75 1pk8 s MET 165 CO -0.01 0.05 0.39 -2.00 1.05 0.00 0.00 175.02 174.50 1pk8 s GLU 166 N 0.92 4.13 -0.32 4.11 2.12 -0.54 -0.38 118.70 128.74 1pk8 s GLU 166 Ca 0.02 0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.54 1pk8 s GLU 166 Cb -0.14 -3.57 0.09 0.00 0.26 0.00 0.00 34.13 30.77 1pk8 s GLU 166 CO 0.02 -0.11 0.00 0.08 -0.54 0.00 0.00 175.26 174.72 1pk8 s VAL 175 N 1.53 2.23 -0.08 3.70 1.01 -1.26 -4.92 120.40 122.62 1pk8 s VAL 175 Ca 0.18 -2.13 -0.00 0.00 0.00 0.00 0.00 61.98 60.03 1pk8 s VAL 175 Cb -0.15 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1pk8 s VAL 175 CO 0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 175.10 174.71 1pk8 s ARG 176 N 0.97 2.87 0.19 2.72 1.70 0.49 -5.12 118.95 122.77 1pk8 s ARG 176 Ca 0.05 -0.49 0.04 0.00 -0.47 0.00 0.00 55.73 54.85 1pk8 s ARG 176 Cb -0.19 -2.68 -0.03 0.00 -0.57 0.00 0.00 34.95 31.47 1pk8 s ARG 176 CO -0.07 0.67 0.31 -1.54 -1.08 0.00 0.00 175.30 173.59 1pk8 s SER 177 N -0.80 6.31 0.25 -2.89 1.04 -1.26 -0.05 113.70 116.30 1pk8 s SER 177 Ca 0.12 0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.54 1pk8 s SER 177 Cb -0.11 -1.88 -0.00 0.00 0.10 0.00 0.00 66.02 64.13 1pk8 s SER 177 CO 0.02 -0.00 0.49 -1.48 0.98 0.00 0.00 173.24 173.25 1pk8 s LEU 178 N -3.55 0.30 -0.41 2.42 2.34 0.42 -4.95 118.68 115.24 1pk8 s LEU 178 Ca 0.34 -0.92 0.02 0.00 0.06 0.00 0.00 54.13 53.63 1pk8 s LEU 178 Cb -0.10 1.81 0.15 0.00 -0.56 0.00 0.00 46.19 47.49 1pk8 s LEU 178 CO 0.29 -1.16 0.28 -0.75 -1.06 0.00 0.00 176.35 173.95 1pk8 s LYS 179 N -3.99 0.91 0.57 1.48 2.20 -1.26 -1.17 119.74 118.48 1pk8 s LYS 179 Ca 0.22 -1.83 -0.19 0.00 -0.36 0.00 0.00 55.97 53.81 1pk8 s LYS 179 Cb -0.01 -1.64 -0.04 0.00 -1.51 0.00 0.00 37.83 34.62 1pk8 s LYS 179 CO 0.09 -1.27 1.17 -2.14 -0.36 0.00 0.00 175.35 172.84 1pk8 s PRO 180 N 0.45 3.14 -0.02 4.03 0.02 -1.26 -4.76 135.00 136.60 1pk8 s PRO 180 Ca 0.23 1.71 0.19 0.00 0.02 0.00 0.00 61.00 63.16 1pk8 s PRO 180 Cb -0.13 -1.96 -0.28 0.00 0.02 0.00 0.00 34.50 32.15 1pk8 s PRO 180 CO -0.07 -1.04 0.52 -0.25 -0.33 0.00 0.00 177.00 175.82 1pk8 n ASP 181 N -1.49 0.65 -3.61 2.53 8.00 0.22 -4.97 116.55 117.87 1pk8 n ASP 181 Ca 0.13 -0.24 -0.16 0.00 0.71 0.00 0.00 54.79 55.22 1pk8 n ASP 181 Cb 0.50 1.66 -0.07 0.00 -0.02 0.00 0.00 41.12 43.19 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 -3.20 -0.48 0.01 1.24 2.19 -0.97 -4.10 117.98 112.67 1pk8 s PHE 182 Ca -0.03 0.81 0.04 0.00 0.33 0.00 0.00 56.93 58.08 1pk8 s PHE 182 Cb 0.13 0.29 -0.01 0.00 -1.31 0.00 0.00 43.02 42.12 1pk8 s PHE 182 CO 0.80 -0.52 -0.13 0.08 1.83 0.00 0.00 175.22 177.27 1pk8 s VAL 183 N -1.22 1.06 -0.24 3.12 1.01 -0.25 -0.58 120.40 123.29 1pk8 s VAL 183 Ca -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1pk8 s VAL 183 Cb -0.02 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.49 1pk8 s VAL 183 CO 0.08 0.20 -0.10 -0.22 0.00 0.00 0.00 175.10 175.06 1pk8 s LEU 184 N -0.57 3.07 -0.43 3.92 2.96 -0.06 -1.60 118.68 125.97 1pk8 s LEU 184 Ca 0.04 -0.99 -0.15 0.00 -0.22 0.00 0.00 54.13 52.81 1pk8 s LEU 184 Cb -0.06 -1.59 0.04 0.00 0.50 0.00 0.00 46.19 45.08 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 1.25 5.23 -1.32 6.68 1.01 -0.77 -0.52 121.20 132.77 1pk8 s ILE 185 Ca -0.02 -0.82 0.13 0.00 0.00 0.00 0.00 60.65 59.94 1pk8 s ILE 185 Cb -0.17 -4.00 0.28 0.00 0.01 0.00 0.00 42.46 38.58 1pk8 s ILE 185 CO -0.06 -0.41 1.17 0.54 0.00 0.00 0.00 174.94 176.17 1pk8 n ARG 186 N 5.17 2.14 -4.47 2.79 5.12 -0.25 -4.02 116.66 123.14 1pk8 n ARG 186 Ca -0.12 -1.86 -0.24 0.00 -1.93 0.00 0.00 57.85 53.71 1pk8 n ARG 186 Cb 0.46 -1.30 -0.10 0.00 -1.16 0.00 0.00 32.46 30.36 1pk8 n ARG 186 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1pk8 s GLN 187 N -1.04 1.70 0.09 5.56 -0.21 -1.20 -4.56 119.66 120.00 1pk8 s GLN 187 Ca 0.24 -1.77 -0.31 0.00 0.02 0.00 0.00 55.36 53.54 1pk8 s GLN 187 Cb 0.13 -1.78 -0.07 0.00 1.00 0.00 0.00 33.01 32.30 1pk8 s GLN 187 CO 0.18 0.33 1.30 -1.01 -2.12 0.00 0.00 175.29 173.97 1pk8 s HIS 188 N -2.51 3.32 -0.50 0.91 3.76 -1.26 -4.73 115.29 114.28 1pk8 s HIS 188 Ca 0.30 1.10 0.24 0.00 -0.15 0.00 0.00 55.06 56.55 1pk8 s HIS 188 Cb -0.05 -3.57 0.38 0.00 1.11 0.00 0.00 32.58 30.46 1pk8 s HIS 188 CO 0.15 -1.89 1.48 0.00 -0.85 0.00 0.00 174.74 173.63 1pk8 h ALA 189 N 6.82 0.82 -3.18 -1.40 0.00 -1.92 -3.46 119.26 116.94 1pk8 h ALA 189 Ca -0.42 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1pk8 h ALA 189 Cb 1.21 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.75 1pk8 h ALA 189 CO 0.84 0.00 -0.48 0.12 0.00 0.00 0.00 179.25 179.74 1pk8 s PHE 190 N -3.21 -0.20 -0.20 0.00 5.36 -1.25 -0.67 117.98 117.81 1pk8 s PHE 190 Ca 0.06 0.48 -0.18 0.00 -0.96 0.00 0.00 56.93 56.33 1pk8 s PHE 190 Cb 0.09 0.07 0.05 0.00 -0.34 0.00 0.00 43.02 42.89 1pk8 s PHE 190 CO 0.69 -0.13 0.53 0.45 -1.46 0.00 0.00 175.22 175.30 1pk8 s SER 191 N -0.06 -0.57 0.00 6.13 0.15 -0.56 -4.86 113.70 113.92 1pk8 s SER 191 Ca -0.02 1.08 0.20 0.00 0.70 0.00 0.00 55.95 57.91 1pk8 s SER 191 Cb -0.02 1.08 1.07 0.00 -1.71 0.00 0.00 66.02 66.43 1pk8 s SER 191 CO 0.00 -0.19 1.70 0.23 1.20 0.00 0.00 173.24 176.19 1pk8 n MET 192 N 2.98 1.16 -1.76 5.44 0.00 -0.48 -3.86 117.12 120.60 1pk8 n MET 192 Ca -0.15 -0.24 -0.30 0.00 0.00 0.00 0.00 57.70 57.01 1pk8 n MET 192 Cb 0.56 -1.32 0.05 0.00 0.00 0.00 0.00 33.22 32.51 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 -1.96 2.74 0.33 3.04 0.00 -1.26 -4.96 121.76 119.70 1pk8 s ALA 193 Ca 0.30 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 1pk8 s ALA 193 Cb 0.14 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 20.07 1pk8 s ALA 193 CO 0.23 -1.22 1.39 -2.13 0.00 0.00 0.00 175.76 174.03 1pk8 n ARG 194 N -3.08 2.32 -2.10 0.00 0.63 -1.26 -2.45 116.66 110.72 1pk8 n ARG 194 Ca 0.07 0.82 -0.21 0.00 -0.92 0.00 0.00 57.85 57.61 1pk8 n ARG 194 Cb 0.56 -2.47 -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 1.03 -5.75 -0.79 6.15 3.02 -1.26 -4.88 115.26 112.79 1pk8 n ASN 195 Ca 0.05 0.19 0.07 0.00 -0.03 0.00 0.00 54.58 54.86 1pk8 n ASN 195 Cb 0.36 -4.89 0.17 0.00 -0.61 0.00 0.00 39.78 34.81 1pk8 n ASN 195 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pk8 n GLY 196 N -0.77 2.06 3.41 7.41 0.00 -1.03 -4.92 105.19 111.36 1pk8 n GLY 196 Ca -0.23 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.05 6.20 -0.19 1.61 2.15 -1.25 -1.50 116.67 122.64 1pk8 s ASP 197 Ca 0.27 -1.15 0.15 0.00 0.43 0.00 0.00 52.55 52.25 1pk8 s ASP 197 Cb 0.15 -2.31 0.41 0.00 -0.30 0.00 0.00 42.92 40.87 1pk8 s ASP 197 CO 0.20 -1.04 1.28 -1.22 -0.17 0.00 0.00 175.17 174.22 1pk8 n TYR 198 N 6.38 0.38 -0.31 -5.34 4.01 0.16 -4.72 117.16 117.72 1pk8 n TYR 198 Ca -0.08 -1.22 -0.05 0.00 -0.16 0.00 0.00 57.90 56.39 1pk8 n TYR 198 Cb 0.44 -0.27 0.08 0.00 -0.31 0.00 0.00 39.34 39.28 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 0.78 1.22 0.00 -0.72 3.08 -1.88 -2.21 114.38 114.65 1pk8 h ARG 199 Ca 0.04 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1pk8 h ARG 199 Cb 1.21 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 1pk8 h ARG 199 CO 0.11 0.95 -0.02 0.66 -1.07 0.00 0.00 179.97 180.60 1pk8 h SER 200 N 1.20 0.00 0.25 7.04 4.64 -1.92 -0.05 113.55 124.71 1pk8 h SER 200 Ca 0.28 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.32 1pk8 h SER 200 Cb 0.15 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1pk8 h SER 200 CO -0.03 0.02 -1.20 -0.07 -0.87 0.00 0.00 176.83 174.68 1pk8 h LEU 201 N 0.00 0.74 -0.57 5.97 3.38 -1.77 -1.61 115.31 121.46 1pk8 h LEU 201 Ca -0.00 -0.69 -0.05 0.00 0.09 0.00 0.00 57.88 57.23 1pk8 h LEU 201 Cb 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1pk8 h LEU 201 CO 0.00 1.51 0.16 0.58 0.09 0.00 0.00 178.44 180.77 1pk8 h VAL 202 N 0.23 1.24 -0.87 1.22 2.07 -0.99 0.15 116.25 119.30 1pk8 h VAL 202 Ca -0.16 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1pk8 h VAL 202 Cb 1.87 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1pk8 h VAL 202 CO 0.22 0.32 0.45 0.40 0.02 0.00 0.00 177.57 178.98 1pk8 h ILE 203 N 0.82 1.26 -0.48 4.57 2.04 -1.08 -1.74 117.51 122.89 1pk8 h ILE 203 Ca 0.18 -0.68 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 1pk8 h ILE 203 Cb 0.32 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1pk8 h ILE 203 CO -0.00 0.30 -0.22 1.23 0.00 0.00 0.00 178.15 179.46 1pk8 h GLY 204 N 1.23 1.07 1.20 5.37 0.00 -0.60 0.94 103.07 112.28 1pk8 h GLY 204 Ca 0.30 -0.95 -0.08 0.00 0.00 0.00 0.00 47.33 46.61 1pk8 h GLY 204 CO -0.04 0.86 0.06 1.41 0.00 0.00 0.00 176.54 178.83 1pk8 h LEU 205 N 0.85 0.93 -0.24 3.11 3.38 -0.47 -1.59 115.31 121.28 1pk8 h LEU 205 Ca 0.11 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1pk8 h LEU 205 Cb 0.80 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1pk8 h LEU 205 CO 0.07 0.95 -0.15 -0.61 0.09 0.00 0.00 178.44 178.79 1pk8 h GLN 206 N 0.91 0.52 -0.18 1.13 5.75 -1.11 -2.19 115.11 119.94 1pk8 h GLN 206 Ca 0.18 -0.24 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1pk8 h GLN 206 Cb 0.45 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 1pk8 h GLN 206 CO 0.02 0.80 0.18 -0.92 -2.65 0.00 0.00 178.83 176.27 1pk8 h TYR 207 N 0.23 0.00 -0.00 3.99 5.03 -0.58 0.47 116.97 126.11 1pk8 h TYR 207 Ca 0.05 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1pk8 h TYR 207 Cb 0.67 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.95 1pk8 h TYR 207 CO 0.07 0.00 -0.44 0.00 -1.32 0.00 0.00 178.16 176.46 1pk8 n ALA 208 N -2.36 3.42 -2.22 1.82 0.00 -0.62 -4.82 120.51 115.73 1pk8 n ALA 208 Ca 0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.07 1pk8 n ALA 208 Cb 0.31 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.50 0.16 3.64 0.00 0.00 0.16 -5.00 105.19 105.66 1pk8 n GLY 209 Ca 0.06 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.43 4.99 0.57 -0.61 1.01 -0.87 -5.04 121.20 118.83 1pk8 s ILE 210 Ca 0.03 1.19 -0.20 0.00 0.00 0.00 0.00 60.65 61.67 1pk8 s ILE 210 Cb -0.01 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1pk8 s ILE 210 CO 0.03 0.06 1.22 -2.84 0.00 0.00 0.00 174.94 173.41 1pk8 s PRO 211 N 2.22 3.08 0.09 2.79 0.02 -1.26 -4.73 135.00 137.21 1pk8 s PRO 211 Ca 0.28 1.86 -0.11 0.00 0.02 0.00 0.00 61.00 63.05 1pk8 s PRO 211 Cb -0.16 -2.01 0.01 0.00 0.02 0.00 0.00 34.50 32.36 1pk8 s PRO 211 CO 0.09 -1.13 0.26 0.45 -0.33 0.00 0.00 177.00 176.34 1pk8 s SER 212 N -1.50 -0.00 -0.18 2.53 0.15 -1.26 -1.09 113.70 112.34 1pk8 s SER 212 Ca 0.75 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.90 1pk8 s SER 212 Cb -0.31 0.37 0.05 0.00 -1.71 0.00 0.00 66.02 64.42 1pk8 s SER 212 CO 0.35 -0.74 -0.04 -0.69 1.20 0.00 0.00 173.24 173.32 1pk8 s VAL 213 N -3.62 1.12 1.13 4.45 1.01 -0.63 -2.78 120.40 121.09 1pk8 s VAL 213 Ca 0.03 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1pk8 s VAL 213 Cb 0.03 -1.36 0.26 0.00 0.00 0.00 0.00 36.38 35.31 1pk8 s VAL 213 CO -0.10 0.04 1.16 0.20 0.00 0.00 0.00 175.10 176.40 1pk8 s ASN 214 N 1.61 1.60 0.42 3.32 0.01 -1.26 -1.85 114.94 118.79 1pk8 s ASN 214 Ca -0.01 0.58 -0.26 0.00 -0.71 0.00 0.00 52.86 52.46 1pk8 s ASN 214 Cb -0.16 -0.80 -0.09 0.00 0.41 0.00 0.00 41.25 40.60 1pk8 s ASN 214 CO -0.07 -3.70 1.45 -1.54 -1.51 0.00 0.00 177.10 171.72 1pk8 n SER 215 N -4.47 3.46 -0.00 -1.22 3.41 -1.12 -4.82 113.62 108.87 1pk8 n SER 215 Ca 0.13 1.16 0.11 0.00 -0.26 0.00 0.00 58.87 60.01 1pk8 n SER 215 Cb 0.59 -1.60 0.54 0.00 -0.26 0.00 0.00 64.21 63.48 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 2.53 0.28 -0.33 1.04 3.38 -1.90 -0.34 115.31 119.97 1pk8 h LEU 216 Ca -0.51 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1pk8 h LEU 216 Cb 1.26 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1pk8 h LEU 216 CO 0.62 0.18 0.13 -0.74 0.09 0.00 0.00 178.44 178.72 1pk8 h HIS 217 N 0.31 0.50 -0.45 1.13 2.76 -1.92 -0.64 115.15 116.84 1pk8 h HIS 217 Ca 0.21 -0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.25 1pk8 h HIS 217 Cb 0.41 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 1pk8 h HIS 217 CO -0.00 0.47 -0.10 0.66 -1.30 0.00 0.00 177.93 177.65 1pk8 h SER 218 N 0.38 0.79 -0.54 3.26 4.64 -1.35 -2.21 113.55 118.53 1pk8 h SER 218 Ca 0.11 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 1pk8 h SER 218 Cb 0.18 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1pk8 h SER 218 CO -0.01 0.92 -0.02 0.58 -0.87 0.00 0.00 176.83 177.43 1pk8 h VAL 219 N 0.73 1.27 -0.54 0.95 2.07 -0.83 -0.76 116.25 119.13 1pk8 h VAL 219 Ca 0.12 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 1pk8 h VAL 219 Cb 0.59 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1pk8 h VAL 219 CO 0.04 0.40 -0.06 0.22 0.02 0.00 0.00 177.57 178.19 1pk8 h TYR 220 N 0.84 1.07 0.00 1.57 5.03 -1.02 -2.56 116.97 121.89 1pk8 h TYR 220 Ca 0.15 -0.20 0.00 0.00 2.58 0.00 0.00 58.73 61.26 1pk8 h TYR 220 Cb 0.56 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1pk8 h TYR 220 CO 0.04 0.98 0.00 -0.91 -1.32 0.00 0.00 178.16 176.95 1pk8 h ASN 221 N 0.88 0.00 -0.05 -2.11 2.35 -1.22 -2.80 115.58 112.63 1pk8 h ASN 221 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1pk8 h ASN 221 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1pk8 h ASN 221 CO 0.04 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.31 1pk8 n PHE 222 N -2.34 0.06 1.73 1.19 3.01 -0.31 -4.14 117.46 116.66 1pk8 n PHE 222 Ca 0.04 -0.03 0.09 0.00 1.01 0.00 0.00 57.45 58.56 1pk8 n PHE 222 Cb 0.35 0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.37 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 -1.71 3.40 0.22 0.00 1.01 -1.26 -4.92 116.67 113.41 1pk8 s ASP 224 Ca 0.28 -1.21 -0.11 0.00 0.71 0.00 0.00 52.55 52.21 1pk8 s ASP 224 Cb 0.13 -0.45 0.30 0.00 1.01 0.00 0.00 42.92 43.91 1pk8 s ASP 224 CO 0.21 -0.41 1.63 0.11 0.21 0.00 0.00 175.17 176.92 1pk8 h LYS 225 N 8.34 0.03 0.00 8.23 1.57 -1.87 0.14 116.57 133.01 1pk8 h LYS 225 Ca -0.18 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1pk8 h LYS 225 Cb 1.04 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1pk8 h LYS 225 CO 0.41 0.02 -0.05 -1.35 -0.57 0.00 0.00 179.45 177.91 1pk8 h PRO 226 N 0.03 0.00 -0.13 3.15 0.11 -1.97 0.05 132.00 133.25 1pk8 h PRO 226 Ca 0.34 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.28 1pk8 h PRO 226 Cb 0.54 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1pk8 h PRO 226 CO -0.66 0.05 -0.62 2.35 -0.21 0.00 0.00 178.00 178.91 1pk8 h TRP 227 N 0.00 0.59 -0.24 0.65 2.91 -1.08 -0.35 115.95 118.42 1pk8 h TRP 227 Ca -0.00 -0.23 -0.15 0.00 1.13 0.00 0.00 58.89 59.64 1pk8 h TRP 227 Cb 0.16 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.71 1pk8 h TRP 227 CO 0.00 0.96 -0.44 0.28 -1.03 0.00 0.00 178.44 178.21 1pk8 h VAL 228 N 0.34 1.30 -0.93 2.65 2.07 -0.76 -3.14 116.25 117.78 1pk8 h VAL 228 Ca -0.01 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1pk8 h VAL 228 Cb 1.17 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.64 1pk8 h VAL 228 CO 0.11 0.52 0.58 0.15 0.02 0.00 0.00 177.57 178.96 1pk8 h PHE 229 N 0.45 1.21 -0.68 1.57 3.57 -0.88 -1.31 116.94 120.87 1pk8 h PHE 229 Ca 0.01 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.63 1pk8 h PHE 229 Cb 1.04 -0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1pk8 h PHE 229 CO 0.08 0.79 0.45 0.00 -2.23 0.00 0.00 178.31 177.40 1pk8 h ALA 230 N 1.37 1.99 -0.63 2.41 0.00 -1.01 0.16 119.26 123.55 1pk8 h ALA 230 Ca 0.34 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1pk8 h ALA 230 Cb -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1pk8 h ALA 230 CO -0.07 -0.15 0.06 1.96 0.00 0.00 0.00 179.25 181.05 1pk8 h GLN 231 N 0.47 1.07 -0.02 0.00 1.08 -1.27 -2.05 115.11 114.39 1pk8 h GLN 231 Ca 0.32 -0.31 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 1pk8 h GLN 231 Cb 0.61 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1pk8 h GLN 231 CO -0.10 1.01 -0.44 0.52 -0.95 0.00 0.00 178.83 178.87 1pk8 h MET 232 N 0.97 0.05 -0.55 1.46 2.86 -0.65 -2.15 114.93 116.92 1pk8 h MET 232 Ca 0.19 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1pk8 h MET 232 Cb 0.48 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 1pk8 h MET 232 CO 0.02 0.48 0.32 0.28 1.06 0.00 0.00 176.91 179.07 1pk8 h VAL 233 N 0.04 1.17 -0.78 -2.22 2.07 -0.20 0.10 116.25 116.44 1pk8 h VAL 233 Ca -0.00 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1pk8 h VAL 233 Cb 0.80 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1pk8 h VAL 233 CO 0.06 0.18 0.28 -0.09 0.02 0.00 0.00 177.57 178.02 1pk8 h ARG 234 N 0.74 1.18 -0.39 1.57 2.43 -0.99 -0.60 114.38 118.33 1pk8 h ARG 234 Ca 0.20 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1pk8 h ARG 234 Cb 0.01 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1pk8 h ARG 234 CO -0.03 0.98 0.05 -0.07 -1.51 0.00 0.00 179.97 179.39 1pk8 h LEU 235 N 1.14 0.63 -0.65 3.80 3.38 -1.03 -2.34 115.31 120.25 1pk8 h LEU 235 Ca 0.26 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1pk8 h LEU 235 Cb 0.26 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1pk8 h LEU 235 CO -0.02 0.74 0.42 -0.74 0.09 0.00 0.00 178.44 178.93 1pk8 h HIS 236 N 0.49 0.82 -0.68 1.13 2.76 -0.50 0.75 115.15 119.92 1pk8 h HIS 236 Ca 0.12 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.36 1pk8 h HIS 236 Cb 0.38 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 29.01 1pk8 h HIS 236 CO 0.03 0.52 0.38 -0.22 -1.30 0.00 0.00 177.93 177.35 1pk8 h LYS 237 N 0.88 0.69 -0.07 5.26 1.63 -0.93 0.23 116.57 124.25 1pk8 h LYS 237 Ca 0.24 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.93 1pk8 h LYS 237 Cb -0.09 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.39 1pk8 h LYS 237 CO -0.05 0.46 -0.19 -0.22 -3.45 0.00 0.00 179.45 176.00 1pk8 h LYS 238 N 0.71 0.26 0.15 1.90 3.64 -0.94 -3.37 116.57 118.91 1pk8 h LYS 238 Ca 0.30 -0.18 -0.30 0.00 -1.27 0.00 0.00 60.65 59.21 1pk8 h LYS 238 Cb 0.17 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1pk8 h LYS 238 CO -0.18 0.79 -1.40 -0.07 -2.27 0.00 0.00 179.45 176.32 1pk8 h LEU 239 N -0.23 0.49 0.00 5.20 3.38 -0.78 -3.51 115.31 119.86 1pk8 h LEU 239 Ca -0.00 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1pk8 h LEU 239 Cb 0.79 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1pk8 h LEU 239 CO 0.04 1.46 0.00 0.61 0.09 0.00 0.00 178.44 180.65 1pk8 n GLY 240 N 1.62 0.37 0.35 0.83 0.00 0.82 -4.39 105.19 104.79 1pk8 n GLY 240 Ca -0.13 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.41 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 0.74 0.00 2.61 2.02 -1.78 0.39 112.91 116.89 1pk8 h THR 241 Ca 0.00 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 1pk8 h THR 241 Cb 0.00 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.28 1pk8 h THR 241 CO 0.00 0.15 -0.10 -0.33 0.37 0.00 0.00 175.52 175.60 1pk8 h GLU 242 N 0.80 0.00 0.00 6.66 5.08 -1.98 -2.88 114.58 122.26 1pk8 h GLU 242 Ca 0.56 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 58.50 1pk8 h GLU 242 Cb 0.82 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 1pk8 h GLU 242 CO -0.36 0.10 -2.51 0.39 -1.00 0.00 0.00 179.01 175.63 1pk8 n GLU 243 N -3.64 0.62 -3.67 2.33 -0.58 -0.31 -4.84 120.64 110.55 1pk8 n GLU 243 Ca -0.02 0.20 -0.29 0.00 -0.42 0.00 0.00 57.16 56.63 1pk8 n GLU 243 Cb 0.22 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.47 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 -2.51 2.00 -1.21 -0.32 5.36 0.12 -4.83 117.98 116.58 1pk8 s PHE 244 Ca -0.37 -2.50 -0.20 0.00 -0.96 0.00 0.00 56.93 52.90 1pk8 s PHE 244 Cb 0.12 -1.78 0.03 0.00 -0.34 0.00 0.00 43.02 41.04 1pk8 s PHE 244 CO 0.55 -0.76 1.75 -1.25 -1.46 0.00 0.00 175.22 174.05 1pk8 s PRO 245 N 0.05 3.53 0.24 10.12 0.04 -1.09 -4.15 135.00 143.74 1pk8 s PRO 245 Ca 0.22 -1.60 -0.30 0.00 0.04 0.00 0.00 61.00 59.35 1pk8 s PRO 245 Cb -0.16 -5.42 -0.09 0.00 0.04 0.00 0.00 34.50 28.87 1pk8 s PRO 245 CO -0.06 -2.69 1.07 -1.17 0.04 0.00 0.00 177.00 174.18 1pk8 s LEU 246 N 6.15 4.55 0.49 -3.56 2.96 -1.26 -0.68 118.68 127.32 1pk8 s LEU 246 Ca 0.57 2.15 -0.22 0.00 -0.22 0.00 0.00 54.13 56.41 1pk8 s LEU 246 Cb 0.02 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 43.02 1pk8 s LEU 246 CO 0.06 -0.11 1.16 -0.51 -1.32 0.00 0.00 176.35 175.63 1pk8 s ILE 247 N -0.85 3.11 -0.56 6.68 2.07 -0.49 -4.74 121.20 126.42 1pk8 s ILE 247 Ca 0.45 0.78 -0.27 0.00 -1.41 0.00 0.00 60.65 60.21 1pk8 s ILE 247 Cb -0.30 -3.37 -0.02 0.00 0.13 0.00 0.00 42.46 38.90 1pk8 s ILE 247 CO 0.37 -0.06 1.86 -1.81 -1.91 0.00 0.00 174.94 173.39 1pk8 s ASP 248 N -1.50 5.37 0.10 4.50 1.01 -1.26 -4.96 116.67 119.93 1pk8 s ASP 248 Ca 0.67 0.52 0.10 0.00 0.71 0.00 0.00 52.55 54.55 1pk8 s ASP 248 Cb -0.27 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.09 1pk8 s ASP 248 CO 0.32 -2.26 -0.26 -1.58 0.21 0.00 0.00 175.17 171.60 1pk8 s GLN 249 N 6.81 1.50 -0.05 8.23 0.74 -1.26 -3.54 119.66 132.09 1pk8 s GLN 249 Ca 0.70 -1.25 0.05 0.00 0.05 0.00 0.00 55.36 54.91 1pk8 s GLN 249 Cb -0.14 -1.87 -0.02 0.00 1.10 0.00 0.00 33.01 32.08 1pk8 s GLN 249 CO 0.23 0.46 -0.21 0.99 -0.55 0.00 0.00 175.29 176.20 1pk8 s THR 250 N -0.98 2.40 -0.15 -0.34 2.01 0.73 -4.97 115.64 114.33 1pk8 s THR 250 Ca 0.13 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 1pk8 s THR 250 Cb -0.10 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1pk8 s THR 250 CO 0.05 0.57 -0.01 0.12 -0.69 0.00 0.00 174.62 174.65 1pk8 s PHE 251 N -0.37 3.08 -0.22 4.92 5.36 -1.26 -1.36 117.98 128.13 1pk8 s PHE 251 Ca 0.03 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 55.84 1pk8 s PHE 251 Cb -0.12 -1.96 0.04 0.00 -0.34 0.00 0.00 43.02 40.63 1pk8 s PHE 251 CO 0.02 0.05 -0.15 0.71 -1.46 0.00 0.00 175.22 174.39 1pk8 s TYR 252 N 0.24 3.04 0.48 10.12 2.02 0.11 -5.00 117.35 128.37 1pk8 s TYR 252 Ca -0.01 -1.99 0.23 0.00 -0.37 0.00 0.00 57.07 54.93 1pk8 s TYR 252 Cb -0.13 -1.93 1.27 0.00 -0.40 0.00 0.00 41.96 40.76 1pk8 s TYR 252 CO 0.02 -0.84 1.93 -1.35 -1.57 0.00 0.00 175.55 173.74 1pk8 h PRO 253 N 7.86 0.18 -2.53 -1.71 0.11 -1.93 -1.84 132.00 132.13 1pk8 h PRO 253 Ca -0.32 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.91 1pk8 h PRO 253 Cb 1.09 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.07 1pk8 h PRO 253 CO 0.55 0.12 0.41 0.54 -0.21 0.00 0.00 178.00 179.40 1pk8 s ASN 254 N -5.91 -0.24 0.53 -2.05 2.20 -1.26 -3.45 114.94 104.77 1pk8 s ASN 254 Ca -0.06 -0.38 0.27 0.00 -0.94 0.00 0.00 52.86 51.75 1pk8 s ASN 254 Cb 0.21 0.54 1.42 0.00 -2.00 0.00 0.00 41.25 41.43 1pk8 s ASN 254 CO 0.76 -0.98 1.96 1.12 -2.94 0.00 0.00 177.10 177.02 1pk8 h HIS 255 N 2.00 0.00 -0.10 1.54 2.07 -1.86 -3.08 115.15 115.73 1pk8 h HIS 255 Ca -0.23 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.32 1pk8 h HIS 255 Cb 1.24 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.22 1pk8 h HIS 255 CO 0.37 0.00 0.35 0.87 -3.07 0.00 0.00 177.93 176.45 1pk8 h LYS 256 N 0.00 0.00 -0.02 5.12 1.57 -1.97 0.47 116.57 121.75 1pk8 h LYS 256 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1pk8 h LYS 256 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1pk8 h LYS 256 CO -0.00 0.00 -0.44 0.39 -0.57 0.00 0.00 179.45 178.83 1pk8 n GLU 257 N -3.10 1.20 -2.56 3.15 -0.58 -1.16 -4.75 120.64 112.85 1pk8 n GLU 257 Ca 0.00 -0.97 -0.42 0.00 -0.42 0.00 0.00 57.16 55.35 1pk8 n GLU 257 Cb 0.43 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.81 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 -2.47 3.83 -0.20 3.49 -1.94 0.16 -4.71 119.30 117.46 1pk8 s MET 258 Ca 0.19 -1.72 -0.10 0.00 -1.71 0.00 0.00 55.69 52.35 1pk8 s MET 258 Cb 0.18 -5.48 -0.20 0.00 2.01 0.00 0.00 34.83 31.35 1pk8 s MET 258 CO 0.56 -2.30 0.05 1.28 -0.01 0.00 0.00 175.02 174.60 1pk8 n LEU 259 N 8.75 2.38 -3.84 -0.03 4.77 -1.26 -4.92 117.00 122.85 1pk8 n LEU 259 Ca 0.44 0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 56.61 1pk8 n LEU 259 Cb 0.47 -0.98 0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1pk8 n LEU 259 CO 0.74 0.67 0.80 -0.94 -1.33 0.00 0.00 177.39 177.33 1pk8 s SER 260 N -6.97 -0.04 0.11 -1.43 1.04 -1.26 -4.90 113.70 100.25 1pk8 s SER 260 Ca -0.30 -0.58 0.10 0.00 0.48 0.00 0.00 55.95 55.64 1pk8 s SER 260 Cb 0.09 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1pk8 s SER 260 CO 0.63 -0.94 -0.24 -0.55 0.98 0.00 0.00 173.24 173.13 1pk8 s SER 261 N -3.27 2.91 0.03 7.02 0.15 -1.26 -5.04 113.70 114.24 1pk8 s SER 261 Ca 0.19 -0.71 -0.26 0.00 0.70 0.00 0.00 55.95 55.87 1pk8 s SER 261 Cb -0.02 -0.18 -0.17 0.00 -1.71 0.00 0.00 66.02 63.94 1pk8 s SER 261 CO 0.04 0.12 1.41 0.74 1.20 0.00 0.00 173.24 176.75 1pk8 h THR 262 N 3.99 0.77 -1.70 6.45 2.02 -2.02 -3.46 112.91 118.95 1pk8 h THR 262 Ca -0.48 -0.43 -0.60 0.00 0.77 0.00 0.00 66.41 65.67 1pk8 h THR 262 Cb 1.17 1.01 -0.13 0.00 -1.74 0.00 0.00 68.15 68.46 1pk8 h THR 262 CO 0.39 0.09 -0.55 0.42 0.37 0.00 0.00 175.52 176.25 1pk8 s THR 263 N -5.17 1.17 0.07 3.16 -4.23 -1.26 -5.17 115.64 104.22 1pk8 s THR 263 Ca -0.15 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.28 1pk8 s THR 263 Cb 0.03 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 71.38 1pk8 s THR 263 CO 0.59 0.00 0.18 -0.31 -0.54 0.00 0.00 174.62 174.54 1pk8 s TYR 264 N -3.02 0.14 0.65 3.99 2.02 -1.26 -4.55 117.35 115.32 1pk8 s TYR 264 Ca 0.22 -0.49 -0.13 0.00 -0.37 0.00 0.00 57.07 56.30 1pk8 s TYR 264 Cb 0.05 -0.07 -0.01 0.00 -0.40 0.00 0.00 41.96 41.53 1pk8 s TYR 264 CO 0.11 -0.49 1.06 -1.25 -1.57 0.00 0.00 175.55 173.41 1pk8 s PRO 265 N -3.36 3.08 0.18 -1.71 0.04 -1.26 -4.98 135.00 126.98 1pk8 s PRO 265 Ca 0.01 1.07 0.07 0.00 0.04 0.00 0.00 61.00 62.19 1pk8 s PRO 265 Cb 0.03 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1pk8 s PRO 265 CO -0.08 -0.99 -0.14 0.54 0.04 0.00 0.00 177.00 176.36 1pk8 s VAL 266 N -2.78 1.57 -0.19 -0.36 0.11 0.68 -1.13 120.40 118.30 1pk8 s VAL 266 Ca 0.60 -2.08 -0.02 0.00 -2.93 0.00 0.00 61.98 57.56 1pk8 s VAL 266 Cb -0.15 -1.90 -0.00 0.00 -1.53 0.00 0.00 36.38 32.79 1pk8 s VAL 266 CO 0.47 -0.57 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.88 1pk8 s VAL 267 N -2.82 3.00 -0.19 2.04 1.01 0.72 0.63 120.40 124.79 1pk8 s VAL 267 Ca 0.18 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1pk8 s VAL 267 Cb -0.01 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1pk8 s VAL 267 CO 0.05 0.48 0.09 -0.69 0.00 0.00 0.00 175.10 175.03 1pk8 s VAL 268 N 1.11 5.04 -0.26 2.92 1.01 -0.28 -1.43 120.40 128.51 1pk8 s VAL 268 Ca 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1pk8 s VAL 268 Cb -0.14 -3.28 0.04 0.00 0.00 0.00 0.00 36.38 33.00 1pk8 s VAL 268 CO -0.03 0.46 -0.08 -0.54 0.00 0.00 0.00 175.10 174.92 1pk8 s LYS 269 N 0.32 2.60 -0.07 2.72 1.02 0.19 -1.59 119.74 124.93 1pk8 s LYS 269 Ca 0.05 -1.13 -0.23 0.00 0.02 0.00 0.00 55.97 54.69 1pk8 s LYS 269 Cb -0.12 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1pk8 s LYS 269 CO -0.01 -0.47 0.67 -1.64 -0.92 0.00 0.00 175.35 172.98 1pk8 s MET 270 N 1.24 4.42 2.20 1.68 -1.94 -0.01 -1.35 119.30 125.55 1pk8 s MET 270 Ca -0.03 0.83 0.00 0.00 -1.71 0.00 0.00 55.69 54.77 1pk8 s MET 270 Cb -0.18 -3.44 0.00 0.00 2.01 0.00 0.00 34.83 33.22 1pk8 s MET 270 CO -0.05 0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.47 1pk8 n GLY 271 N 3.08 2.06 2.98 -0.03 0.00 0.76 -4.36 105.19 109.68 1pk8 n GLY 271 Ca -0.02 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 3.16 0.20 1.61 2.46 -1.26 -4.80 115.29 116.66 1pk8 s HIS 272 Ca 0.00 -2.50 -0.08 0.00 0.47 0.00 0.00 55.06 52.95 1pk8 s HIS 272 Cb 0.00 -2.35 -0.02 0.00 -0.13 0.00 0.00 32.58 30.08 1pk8 s HIS 272 CO 0.00 -0.90 0.30 0.00 -2.47 0.00 0.00 174.74 171.67 1pk8 s ALA 273 N 1.12 0.27 0.36 1.58 0.00 -1.26 -1.38 121.76 122.44 1pk8 s ALA 273 Ca 0.04 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.91 1pk8 s ALA 273 Cb -0.19 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 1pk8 s ALA 273 CO -0.10 -0.69 0.11 -1.01 0.00 0.00 0.00 175.76 174.07 1pk8 s HIS 274 N -4.04 1.80 -1.43 0.00 0.09 -1.26 -4.82 115.29 105.63 1pk8 s HIS 274 Ca 0.25 -1.18 -0.08 0.00 -0.00 0.00 0.00 55.06 54.05 1pk8 s HIS 274 Cb 0.03 -1.14 0.05 0.00 -0.00 0.00 0.00 32.58 31.52 1pk8 s HIS 274 CO 0.06 -0.22 0.89 0.43 -0.00 0.00 0.00 174.74 175.90 1pk8 n SER 275 N -0.98 -3.50 0.00 1.40 7.64 -1.26 -2.12 113.62 114.80 1pk8 n SER 275 Ca -0.03 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1pk8 n SER 275 Cb 0.66 -4.06 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 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 -1.67 2.88 3.75 0.23 0.00 -1.26 -5.01 105.19 104.11 1pk8 n GLY 276 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.07 4.11 0.00 1.61 -2.45 -0.90 -2.58 119.30 119.02 1pk8 s MET 277 Ca 0.00 2.60 0.00 0.00 -1.25 0.00 0.00 55.69 57.04 1pk8 s MET 277 Cb 0.00 -3.01 0.00 0.00 1.25 0.00 0.00 34.83 33.07 1pk8 s MET 277 CO 0.00 -0.64 0.00 0.41 1.05 0.00 0.00 175.02 175.84 1pk8 n GLY 278 N 1.95 0.53 3.40 2.11 0.00 -1.26 -4.50 105.19 107.42 1pk8 n GLY 278 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.27 3.55 0.02 1.61 3.01 -1.06 -0.83 119.74 125.77 1pk8 s LYS 279 Ca 0.00 -0.54 0.03 0.00 -1.01 0.00 0.00 55.97 54.45 1pk8 s LYS 279 Cb 0.00 -3.24 -0.01 0.00 -1.01 0.00 0.00 37.83 33.56 1pk8 s LYS 279 CO 0.00 -0.21 -0.08 0.14 0.51 0.00 0.00 175.35 175.71 1pk8 s VAL 280 N 1.57 0.64 -0.11 3.17 -7.23 -0.62 -5.00 120.40 112.82 1pk8 s VAL 280 Ca 0.06 -0.69 -0.23 0.00 -1.81 0.00 0.00 61.98 59.31 1pk8 s VAL 280 Cb -0.15 -0.61 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 1pk8 s VAL 280 CO 0.02 -0.06 0.69 -0.75 -0.31 0.00 0.00 175.10 174.68 1pk8 s LYS 281 N -0.84 4.37 -0.25 4.82 2.20 -1.26 -1.13 119.74 127.66 1pk8 s LYS 281 Ca -0.02 0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 56.39 1pk8 s LYS 281 Cb -0.06 -3.49 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1pk8 s LYS 281 CO 0.00 -0.03 -0.07 0.08 -0.36 0.00 0.00 175.35 174.97 1pk8 s VAL 282 N 1.16 2.82 -1.04 4.02 1.01 0.20 -4.97 120.40 123.60 1pk8 s VAL 282 Ca 0.35 -1.05 0.27 0.00 0.00 0.00 0.00 61.98 61.55 1pk8 s VAL 282 Cb -0.17 -2.43 0.13 0.00 0.00 0.00 0.00 36.38 33.90 1pk8 s VAL 282 CO 0.15 0.20 1.65 0.47 0.00 0.00 0.00 175.10 177.57 1pk8 n ASP 283 N 4.66 0.30 -3.70 3.32 8.00 -1.26 -0.23 116.55 127.64 1pk8 n ASP 283 Ca -0.16 0.03 -0.05 0.00 0.71 0.00 0.00 54.79 55.32 1pk8 n ASP 283 Cb 0.47 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.97 -0.23 0.22 -2.24 2.20 -1.26 -4.60 114.94 106.06 1pk8 s ASN 284 Ca 0.13 -0.32 -0.13 0.00 -0.94 0.00 0.00 52.86 51.61 1pk8 s ASN 284 Cb 0.18 0.48 0.27 0.00 -2.00 0.00 0.00 41.25 40.19 1pk8 s ASN 284 CO 0.62 -0.87 1.62 -0.61 -2.94 0.00 0.00 177.10 174.92 1pk8 h GLN 285 N 2.00 0.01 -0.58 3.55 5.75 -1.97 0.00 115.11 123.88 1pk8 h GLN 285 Ca -0.24 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.22 1pk8 h GLN 285 Cb 1.24 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 1pk8 h GLN 285 CO 0.27 0.01 0.19 0.45 -2.65 0.00 0.00 178.83 177.09 1pk8 h HIS 286 N 0.01 0.92 0.00 3.99 3.86 -1.99 -1.36 115.15 120.58 1pk8 h HIS 286 Ca 0.33 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 1pk8 h HIS 286 Cb 0.50 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1pk8 h HIS 286 CO -0.52 0.77 -0.28 -0.44 0.86 0.00 0.00 177.93 178.32 1pk8 h ASP 287 N 0.81 0.00 -0.29 2.45 5.19 -1.75 -2.05 116.42 120.78 1pk8 h ASP 287 Ca 0.19 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.45 1pk8 h ASP 287 Cb 0.27 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 1pk8 h ASP 287 CO -0.01 0.28 -0.38 0.15 -3.12 0.00 0.00 179.24 176.16 1pk8 h PHE 288 N 0.00 0.94 -0.45 4.55 3.57 -0.41 -0.93 116.94 124.21 1pk8 h PHE 288 Ca -0.00 -0.30 -0.07 0.00 3.53 0.00 0.00 57.97 61.12 1pk8 h PHE 288 Cb 0.52 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1pk8 h PHE 288 CO 0.00 1.09 0.00 1.96 -2.23 0.00 0.00 178.31 179.13 1pk8 h GLN 289 N 0.53 0.74 0.07 1.11 4.20 -0.90 -0.12 115.11 120.75 1pk8 h GLN 289 Ca 0.04 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1pk8 h GLN 289 Cb 0.97 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1pk8 h GLN 289 CO 0.09 0.75 -0.03 -0.44 -0.67 0.00 0.00 178.83 178.53 1pk8 h ASP 290 N 0.70 -0.08 -0.04 1.46 3.32 -1.18 -2.56 116.42 118.04 1pk8 h ASP 290 Ca 0.14 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1pk8 h ASP 290 Cb 0.43 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1pk8 h ASP 290 CO 0.02 0.12 -0.01 0.40 -1.72 0.00 0.00 179.24 178.04 1pk8 h ILE 291 N -0.28 1.08 -0.49 0.35 1.08 -0.90 -2.07 117.51 116.28 1pk8 h ILE 291 Ca -0.01 -0.33 -0.11 0.00 -0.39 0.00 0.00 64.86 64.02 1pk8 h ILE 291 Cb 0.24 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 1pk8 h ILE 291 CO 0.02 0.11 -0.12 0.00 -0.69 0.00 0.00 178.15 177.46 1pk8 h ALA 292 N 1.84 0.86 0.00 1.87 0.00 -0.82 -0.87 119.26 122.14 1pk8 h ALA 292 Ca 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1pk8 h ALA 292 Cb 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1pk8 h ALA 292 CO 0.00 0.64 -0.16 0.66 0.00 0.00 0.00 179.25 180.40 1pk8 h SER 293 N 0.82 0.00 0.18 0.00 4.64 -0.98 -1.28 113.55 116.92 1pk8 h SER 293 Ca 0.13 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.22 1pk8 h SER 293 Cb 0.65 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1pk8 h SER 293 CO 0.05 0.16 -0.91 0.58 -0.87 0.00 0.00 176.83 175.83 1pk8 h VAL 294 N 0.00 1.35 -0.86 0.95 2.07 -0.95 -3.10 116.25 115.71 1pk8 h VAL 294 Ca -0.00 -2.28 -0.02 0.00 0.82 0.00 0.00 66.70 65.21 1pk8 h VAL 294 Cb 0.48 2.29 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 1pk8 h VAL 294 CO 0.02 0.69 0.45 0.58 0.02 0.00 0.00 177.57 179.33 1pk8 h VAL 295 N 0.32 1.26 -0.94 2.57 2.07 -0.08 -1.89 116.25 119.56 1pk8 h VAL 295 Ca -0.08 -0.67 0.16 0.00 0.82 0.00 0.00 66.70 66.93 1pk8 h VAL 295 Cb 1.54 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 1pk8 h VAL 295 CO 0.17 0.30 0.60 0.00 0.02 0.00 0.00 177.57 178.65 1pk8 h ALA 296 N 1.27 1.82 0.00 1.67 0.00 -1.28 -0.09 119.26 122.65 1pk8 h ALA 296 Ca 0.30 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1pk8 h ALA 296 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pk8 h ALA 296 CO -0.04 -0.10 -0.19 -0.07 0.00 0.00 0.00 179.25 178.85 1pk8 h LEU 297 N 0.70 0.00 0.00 0.00 3.38 -1.34 -2.30 115.31 115.75 1pk8 h LEU 297 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1pk8 h LEU 297 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1pk8 h LEU 297 CO -0.25 0.19 -0.02 0.71 0.09 0.00 0.00 178.44 179.17 1pk8 h THR 298 N 0.00 0.00 -5.64 0.22 1.35 -0.82 -3.47 112.91 104.55 1pk8 h THR 298 Ca -0.00 -0.66 -0.43 0.00 -0.55 0.00 0.00 66.41 64.77 1pk8 h THR 298 Cb 0.92 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.97 1pk8 h THR 298 CO 0.03 0.00 -0.66 0.29 -0.25 0.00 0.00 175.52 174.92 1pk8 n LYS 299 N -2.56 -4.90 -2.43 4.72 5.02 -0.81 -4.95 118.16 112.25 1pk8 n LYS 299 Ca 0.05 0.64 -0.05 0.00 -2.02 0.00 0.00 58.31 56.93 1pk8 n LYS 299 Cb 0.47 -5.48 -0.01 0.00 -0.02 0.00 0.00 35.03 29.98 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 -4.45 0.00 -1.81 -0.18 5.66 -1.26 -5.10 114.28 107.14 1pk8 n THR 300 Ca -0.01 -0.61 -0.29 0.00 -3.05 0.00 0.00 64.05 60.09 1pk8 n THR 300 Cb 0.55 0.35 0.12 0.00 -1.55 0.00 0.00 70.33 69.81 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 -3.79 2.51 0.12 1.09 -0.85 -1.22 -4.33 117.35 110.88 1pk8 s TYR 301 Ca 0.10 0.67 -0.24 0.00 -0.52 0.00 0.00 57.07 57.08 1pk8 s TYR 301 Cb -0.00 -3.61 0.07 0.00 0.38 0.00 0.00 41.96 38.80 1pk8 s TYR 301 CO 0.07 -2.14 0.61 0.00 -1.52 0.00 0.00 175.55 172.58 1pk8 s ALA 302 N -3.57 -1.62 0.15 9.51 0.00 -0.69 -0.17 121.76 125.38 1pk8 s ALA 302 Ca 0.65 0.63 0.07 0.00 0.00 0.00 0.00 51.96 53.31 1pk8 s ALA 302 Cb -0.10 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1pk8 s ALA 302 CO 0.51 -0.69 -0.14 0.95 0.00 0.00 0.00 175.76 176.38 1pk8 s THR 303 N -3.27 1.50 -0.02 0.00 -4.23 -0.45 -0.71 115.64 108.45 1pk8 s THR 303 Ca -0.01 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 1pk8 s THR 303 Cb -0.01 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1pk8 s THR 303 CO -0.09 -0.48 -0.07 0.00 -0.54 0.00 0.00 174.62 173.45 1pk8 s ALA 304 N -2.47 0.66 0.01 3.99 0.00 -0.47 -0.64 121.76 122.84 1pk8 s ALA 304 Ca 0.14 -0.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.83 1pk8 s ALA 304 Cb -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1pk8 s ALA 304 CO 0.04 0.10 0.09 -1.83 0.00 0.00 0.00 175.76 174.16 1pk8 s GLU 305 N 0.23 0.45 0.35 0.00 -1.05 -0.52 -0.19 118.70 117.98 1pk8 s GLU 305 Ca -0.03 -0.49 -0.27 0.00 -0.15 0.00 0.00 54.97 54.03 1pk8 s GLU 305 Cb -0.07 0.18 -0.12 0.00 -0.44 0.00 0.00 34.13 33.68 1pk8 s GLU 305 CO 0.00 -0.10 1.21 -2.30 0.95 0.00 0.00 175.26 175.02 1pk8 n PRO 306 N 1.42 1.88 -2.56 -4.83 -0.02 -1.23 -0.20 135.00 129.46 1pk8 n PRO 306 Ca -0.23 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 1pk8 n PRO 306 Cb 0.56 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.12 3.62 -0.30 6.00 5.36 -0.29 -4.61 117.98 126.65 1pk8 s PHE 307 Ca 0.57 1.61 -0.08 0.00 -0.96 0.00 0.00 56.93 58.07 1pk8 s PHE 307 Cb -0.58 -3.24 -0.00 0.00 -0.34 0.00 0.00 43.02 38.85 1pk8 s PHE 307 CO 0.61 -0.49 0.11 0.42 -1.46 0.00 0.00 175.22 174.41 1pk8 s ILE 308 N 0.07 4.32 -0.92 3.12 -1.09 -1.26 -4.85 121.20 120.58 1pk8 s ILE 308 Ca 0.50 -0.49 -0.24 0.00 -2.23 0.00 0.00 60.65 58.19 1pk8 s ILE 308 Cb -0.28 -3.19 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 1pk8 s ILE 308 CO 0.33 0.11 1.87 -0.62 -1.23 0.00 0.00 174.94 175.39 1pk8 s ASP 309 N 1.57 5.35 0.24 3.58 2.15 -1.26 -4.91 116.67 123.40 1pk8 s ASP 309 Ca 0.04 -0.80 -0.15 0.00 0.43 0.00 0.00 52.55 52.07 1pk8 s ASP 309 Cb -0.17 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 39.81 1pk8 s ASP 309 CO 0.04 -2.55 0.66 0.00 -0.17 0.00 0.00 175.17 173.15 1pk8 s ALA 310 N 9.29 3.45 -0.05 3.66 0.00 -1.26 -1.67 121.76 135.18 1pk8 s ALA 310 Ca 0.66 -0.02 0.13 0.00 0.00 0.00 0.00 51.96 52.73 1pk8 s ALA 310 Cb -0.06 -2.67 -0.22 0.00 0.00 0.00 0.00 23.12 20.18 1pk8 s ALA 310 CO -0.02 0.39 0.71 -0.22 0.00 0.00 0.00 175.76 176.61 1pk8 h LYS 311 N 2.92 0.00 -1.44 0.00 3.64 -1.23 -3.44 116.57 117.03 1pk8 h LYS 311 Ca -0.48 0.00 0.35 0.00 -1.27 0.00 0.00 60.65 59.25 1pk8 h LYS 311 Cb 1.18 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 1pk8 h LYS 311 CO 0.66 0.49 0.88 1.52 -2.27 0.00 0.00 179.45 180.73 1pk8 s TYR 312 N -2.64 -0.02 0.18 1.91 -0.85 -1.18 -4.90 117.35 109.86 1pk8 s TYR 312 Ca -0.04 -0.06 0.08 0.00 -0.52 0.00 0.00 57.07 56.53 1pk8 s TYR 312 Cb 0.08 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 1pk8 s TYR 312 CO 0.82 -0.20 -0.16 0.16 -1.52 0.00 0.00 175.55 174.65 1pk8 s ASP 313 N -3.12 2.55 0.02 -0.18 1.47 -0.59 -0.70 116.67 116.12 1pk8 s ASP 313 Ca 0.17 -0.94 0.02 0.00 1.18 0.00 0.00 52.55 52.98 1pk8 s ASP 313 Cb 0.05 -0.14 -0.01 0.00 -0.34 0.00 0.00 42.92 42.48 1pk8 s ASP 313 CO -0.04 -0.12 -0.07 -0.69 0.68 0.00 0.00 175.17 174.93 1pk8 s VAL 314 N -2.54 0.50 -0.09 2.11 1.01 0.28 -0.98 120.40 120.69 1pk8 s VAL 314 Ca 0.18 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1pk8 s VAL 314 Cb -0.03 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1pk8 s VAL 314 CO 0.06 -0.10 -0.13 -0.60 0.00 0.00 0.00 175.10 174.33 1pk8 s ARG 315 N -0.78 1.95 -0.26 2.72 3.52 -0.52 -0.26 118.95 125.31 1pk8 s ARG 315 Ca -0.03 -0.47 -0.06 0.00 -0.13 0.00 0.00 55.73 55.04 1pk8 s ARG 315 Cb -0.06 -1.66 -0.00 0.00 -1.56 0.00 0.00 34.95 31.67 1pk8 s ARG 315 CO 0.00 -0.04 0.03 0.08 -0.81 0.00 0.00 175.30 174.57 1pk8 s VAL 316 N 0.91 3.82 0.16 7.11 1.01 -0.13 -1.07 120.40 132.21 1pk8 s VAL 316 Ca -0.09 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1pk8 s VAL 316 Cb -0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1pk8 s VAL 316 CO 0.00 0.25 0.07 0.00 0.00 0.00 0.00 175.10 175.42 1pk8 s GLN 317 N 1.51 2.65 -0.15 2.72 -2.07 0.49 -0.58 119.66 124.24 1pk8 s GLN 317 Ca 0.04 -0.98 -0.04 0.00 -1.82 0.00 0.00 55.36 52.57 1pk8 s GLN 317 Cb -0.16 -2.51 0.07 0.00 -1.09 0.00 0.00 33.01 29.32 1pk8 s GLN 317 CO 0.01 0.47 0.16 0.21 -1.32 0.00 0.00 175.29 174.82 1pk8 s LYS 318 N -2.98 0.09 -0.23 9.60 2.20 0.09 -2.48 119.74 126.03 1pk8 s LYS 318 Ca 0.29 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1pk8 s LYS 318 Cb -0.10 -1.13 0.03 0.00 -1.51 0.00 0.00 37.83 35.13 1pk8 s LYS 318 CO 0.21 -0.55 -0.11 0.42 -0.36 0.00 0.00 175.35 174.95 1pk8 s ILE 319 N 2.25 2.48 0.00 5.43 1.01 -0.85 -1.77 121.20 129.75 1pk8 s ILE 319 Ca 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1pk8 s ILE 319 Cb -0.15 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1pk8 s ILE 319 CO -0.09 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1pk8 n GLY 320 N 4.60 3.16 0.49 6.18 0.00 -0.56 -0.90 105.19 118.17 1pk8 n GLY 320 Ca -0.17 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 8.62 1.46 -4.42 1.61 1.13 -1.26 -5.01 117.38 119.50 1pk8 n GLN 321 Ca 0.00 -3.08 -0.34 0.00 -1.94 0.00 0.00 57.00 51.64 1pk8 n GLN 321 Cb 0.00 -1.54 -0.11 0.00 0.11 0.00 0.00 30.24 28.70 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 -3.11 4.91 0.01 1.08 3.84 -0.07 -5.11 114.94 116.49 1pk8 s ASN 322 Ca 0.36 -0.03 0.09 0.00 0.21 0.00 0.00 52.86 53.49 1pk8 s ASN 322 Cb 0.35 -1.59 -0.02 0.00 -0.55 0.00 0.00 41.25 39.43 1pk8 s ASN 322 CO -0.05 0.26 -0.26 -0.31 -2.79 0.00 0.00 177.10 173.95 1pk8 s TYR 323 N -0.17 2.32 -0.07 0.43 1.51 -1.26 -2.01 117.35 118.10 1pk8 s TYR 323 Ca 0.04 -0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 55.56 1pk8 s TYR 323 Cb -0.13 -1.44 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 1pk8 s TYR 323 CO 0.02 0.05 0.28 0.15 -1.11 0.00 0.00 175.55 174.94 1pk8 s LYS 324 N -0.94 0.44 -0.09 -0.62 1.02 -1.03 -5.00 119.74 113.52 1pk8 s LYS 324 Ca 0.11 0.16 0.02 0.00 0.02 0.00 0.00 55.97 56.27 1pk8 s LYS 324 Cb -0.10 0.20 0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1pk8 s LYS 324 CO 0.01 -0.09 -0.13 0.00 -0.92 0.00 0.00 175.35 174.22 1pk8 s ALA 325 N -0.41 1.48 -0.05 5.17 0.00 -1.26 -0.38 121.76 126.32 1pk8 s ALA 325 Ca -0.05 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.38 1pk8 s ALA 325 Cb -0.03 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1pk8 s ALA 325 CO 0.02 -0.06 -0.21 0.71 0.00 0.00 0.00 175.76 176.22 1pk8 s TYR 326 N 0.98 2.52 -0.21 0.00 2.02 -0.24 -0.66 117.35 121.77 1pk8 s TYR 326 Ca -0.08 -0.43 -0.07 0.00 -0.37 0.00 0.00 57.07 56.13 1pk8 s TYR 326 Cb -0.15 -1.59 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 1pk8 s TYR 326 CO -0.01 -0.02 0.05 1.41 -1.57 0.00 0.00 175.55 175.41 1pk8 s MET 327 N -0.47 3.75 -0.04 -0.62 -2.45 -0.35 -1.44 119.30 117.68 1pk8 s MET 327 Ca 0.06 -0.45 0.02 0.00 -1.25 0.00 0.00 55.69 54.07 1pk8 s MET 327 Cb -0.12 -3.22 -0.03 0.00 1.25 0.00 0.00 34.83 32.71 1pk8 s MET 327 CO 0.01 0.02 -0.08 0.50 1.05 0.00 0.00 175.02 176.52 1pk8 s ARG 328 N 1.03 2.63 -0.27 4.11 3.52 -0.16 -0.75 118.95 129.07 1pk8 s ARG 328 Ca 0.03 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 54.99 1pk8 s ARG 328 Cb -0.14 -2.52 0.15 0.00 -1.56 0.00 0.00 34.95 30.88 1pk8 s ARG 328 CO 0.03 0.64 0.44 -0.08 -0.81 0.00 0.00 175.30 175.51 1pk8 s THR 329 N -0.86 -0.70 -0.33 4.11 -1.32 -1.26 -1.55 115.64 113.73 1pk8 s THR 329 Ca 0.14 -0.10 0.27 0.00 -1.21 0.00 0.00 61.69 60.79 1pk8 s THR 329 Cb -0.11 -0.89 0.32 0.00 -1.51 0.00 0.00 72.50 70.31 1pk8 s THR 329 CO 0.03 -0.13 1.80 4.11 -2.21 0.00 0.00 174.62 178.22 1pk8 h TRP 335 N 8.14 0.00 -3.68 9.09 5.08 -2.04 -3.45 115.95 129.10 1pk8 h TRP 335 Ca -0.17 0.00 -0.69 0.00 1.08 0.00 0.00 58.89 59.11 1pk8 h TRP 335 Cb 1.15 0.00 -0.30 0.00 -3.00 0.00 0.00 29.16 27.01 1pk8 h TRP 335 CO 0.15 0.00 -0.62 -1.59 -1.28 0.00 0.00 178.44 175.10 1pk8 s LYS 336 N -3.37 2.51 0.00 0.12 -2.85 -1.26 -5.05 119.74 109.84 1pk8 s LYS 336 Ca 0.05 -1.27 0.00 0.00 -1.00 0.00 0.00 55.97 53.75 1pk8 s LYS 336 Cb 0.09 -3.41 0.00 0.00 -2.06 0.00 0.00 37.83 32.45 1pk8 s LYS 336 CO 0.54 -0.70 0.00 0.25 0.10 0.00 0.00 175.35 175.53 1pk8 n THR 337 N 4.74 0.00 -3.64 3.79 -2.24 -1.26 -5.14 114.28 110.53 1pk8 n THR 337 Ca -0.12 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1pk8 n THR 337 Cb 0.44 -0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 67.94 1pk8 n THR 337 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1pk8 s LEU 344 N 0.00 -0.72 -0.19 3.22 1.43 -1.26 -5.10 118.68 116.07 1pk8 s LEU 344 Ca 0.00 1.26 -0.04 0.00 -1.03 0.00 0.00 54.13 54.32 1pk8 s LEU 344 Cb 0.00 2.21 0.09 0.00 0.03 0.00 0.00 46.19 48.52 1pk8 s LEU 344 CO 0.00 -0.21 0.21 -0.70 0.23 0.00 0.00 176.35 175.88 1pk8 s GLU 345 N 0.93 0.17 0.12 1.70 2.12 0.07 -4.96 118.70 118.83 1pk8 s GLU 345 Ca -0.04 0.24 -0.31 0.00 0.36 0.00 0.00 54.97 55.22 1pk8 s GLU 345 Cb -0.05 -1.12 -0.10 0.00 0.26 0.00 0.00 34.13 33.12 1pk8 s GLU 345 CO -0.10 -0.61 1.71 -1.14 -0.54 0.00 0.00 175.26 174.58 1pk8 s GLN 346 N 2.31 4.17 0.29 4.30 0.74 -1.26 -1.21 119.66 129.01 1pk8 s GLN 346 Ca 0.06 2.46 0.10 0.00 0.05 0.00 0.00 55.36 58.03 1pk8 s GLN 346 Cb -0.15 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 1pk8 s GLN 346 CO -0.11 -0.76 -0.05 0.96 -0.55 0.00 0.00 175.29 174.78 1pk8 s ILE 347 N 2.32 2.94 0.59 -2.34 -4.36 0.17 -4.92 121.20 115.60 1pk8 s ILE 347 Ca 0.76 -2.06 -0.19 0.00 -0.26 0.00 0.00 60.65 58.91 1pk8 s ILE 347 Cb -0.44 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 40.55 1pk8 s ILE 347 CO 0.34 -0.33 1.19 0.00 0.24 0.00 0.00 174.94 176.38 1pk8 s ALA 348 N -2.43 2.56 0.07 2.27 0.00 -1.26 -4.03 121.76 118.94 1pk8 s ALA 348 Ca 0.32 0.96 -0.26 0.00 0.00 0.00 0.00 51.96 52.98 1pk8 s ALA 348 Cb -0.04 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 1pk8 s ALA 348 CO 0.18 -1.11 0.82 -1.64 0.00 0.00 0.00 175.76 174.02 1pk8 s MET 349 N -3.35 4.56 0.22 0.00 1.00 -1.26 -4.86 119.30 115.61 1pk8 s MET 349 Ca 0.76 1.19 0.09 0.00 0.00 0.00 0.00 55.69 57.73 1pk8 s MET 349 Cb -0.29 -3.36 -0.04 0.00 0.00 0.00 0.00 34.83 31.14 1pk8 s MET 349 CO 0.32 0.28 -0.08 -1.54 0.00 0.00 0.00 175.02 174.01 1pk8 s SER 350 N -0.12 4.28 0.62 3.03 1.04 -1.26 -4.99 113.70 116.30 1pk8 s SER 350 Ca 0.41 -0.65 0.37 0.00 0.48 0.00 0.00 55.95 56.56 1pk8 s SER 350 Cb -0.22 -0.71 2.03 0.00 0.10 0.00 0.00 66.02 67.23 1pk8 s SER 350 CO 0.25 0.06 2.27 0.44 0.98 0.00 0.00 173.24 177.24 1pk8 h ASP 351 N 2.49 0.00 -0.03 7.02 3.32 -1.98 0.62 116.42 127.86 1pk8 h ASP 351 Ca -0.45 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1pk8 h ASP 351 Cb 1.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1pk8 h ASP 351 CO 0.57 0.02 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.00 1pk8 h ARG 352 N 0.00 0.06 -0.42 3.56 2.43 -1.97 -1.66 114.38 116.38 1pk8 h ARG 352 Ca -0.00 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1pk8 h ARG 352 Cb 0.09 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1pk8 h ARG 352 CO 0.00 0.48 0.09 1.88 -1.51 0.00 0.00 179.97 180.92 1pk8 h TYR 353 N -0.36 0.71 -0.53 2.20 0.05 -1.56 -2.95 116.97 114.53 1pk8 h TYR 353 Ca 0.01 -0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.75 1pk8 h TYR 353 Cb 0.47 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.96 1pk8 h TYR 353 CO 0.08 0.68 0.26 -0.22 -1.05 0.00 0.00 178.16 177.90 1pk8 h LYS 354 N 0.54 0.48 -0.45 4.88 3.64 -0.93 -2.53 116.57 122.20 1pk8 h LYS 354 Ca 0.13 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1pk8 h LYS 354 Cb 0.33 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1pk8 h LYS 354 CO 0.00 0.32 0.24 1.25 -2.27 0.00 0.00 179.45 178.99 1pk8 h LEU 355 N 0.50 0.36 -0.09 5.20 5.85 -1.21 0.12 115.31 126.04 1pk8 h LEU 355 Ca 0.24 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1pk8 h LEU 355 Cb 0.17 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1pk8 h LEU 355 CO -0.18 0.26 -0.31 -0.50 -0.34 0.00 0.00 178.44 177.37 1pk8 h TRP 356 N 0.48 -0.85 -0.10 1.25 6.55 -1.29 0.11 115.95 122.10 1pk8 h TRP 356 Ca 0.19 0.03 -0.19 0.00 0.95 0.00 0.00 58.89 59.88 1pk8 h TRP 356 Cb 0.08 0.39 -0.00 0.00 -0.86 0.00 0.00 29.16 28.76 1pk8 h TRP 356 CO -0.09 -0.39 -0.71 -0.24 -1.05 0.00 0.00 178.44 175.95 1pk8 h VAL 357 N -0.41 1.36 -0.33 1.49 3.04 -1.34 -1.81 116.25 118.24 1pk8 h VAL 357 Ca 0.08 -2.07 -0.01 0.00 -1.01 0.00 0.00 66.70 63.69 1pk8 h VAL 357 Cb 0.54 2.05 -0.02 0.00 -2.01 0.00 0.00 31.29 31.85 1pk8 h VAL 357 CO -0.32 0.63 0.18 0.44 -1.01 0.00 0.00 177.57 177.49 1pk8 h ASP 358 N 0.33 0.42 -0.05 3.17 3.32 -0.51 0.25 116.42 123.36 1pk8 h ASP 358 Ca -0.03 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1pk8 h ASP 358 Cb 1.29 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1pk8 h ASP 358 CO 0.13 0.40 0.03 0.71 -1.72 0.00 0.00 179.24 178.79 1pk8 h THR 359 N 0.41 1.04 -0.25 0.35 1.35 -0.73 -2.81 112.91 112.27 1pk8 h THR 359 Ca 0.12 -0.09 -0.05 0.00 -0.55 0.00 0.00 66.41 65.83 1pk8 h THR 359 Cb 0.08 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 1pk8 h THR 359 CO -0.02 0.03 -0.08 0.00 -0.25 0.00 0.00 175.52 175.21 1pk8 n SER 361 N -4.27 0.38 0.01 0.00 3.41 0.86 -2.37 113.62 111.64 1pk8 n SER 361 Ca 0.00 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 1pk8 n SER 361 Cb 0.26 -0.70 0.26 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.97 0.03 -1.50 4.33 -0.58 -1.00 0.58 120.64 120.53 1pk8 n GLU 362 Ca 0.00 0.01 -0.33 0.00 -0.42 0.00 0.00 57.16 56.43 1pk8 n GLU 362 Cb 0.09 -1.52 0.08 0.00 -0.57 0.00 0.00 31.44 29.52 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 -3.02 2.99 -1.26 -3.67 -4.36 -1.00 -2.78 121.20 108.11 1pk8 s ILE 363 Ca 0.11 0.42 -0.05 0.00 -0.26 0.00 0.00 60.65 60.87 1pk8 s ILE 363 Cb 0.17 -2.90 0.03 0.00 1.25 0.00 0.00 42.46 41.01 1pk8 s ILE 363 CO 0.69 -0.33 0.33 0.49 0.24 0.00 0.00 174.94 176.37 1pk8 n PHE 364 N -2.87 -1.67 -0.60 1.37 3.72 -1.26 -0.73 117.46 115.42 1pk8 n PHE 364 Ca 0.11 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 1pk8 n PHE 364 Cb 0.52 -3.16 0.00 0.00 -0.94 0.00 0.00 39.48 35.89 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 -1.10 0.76 0.00 1.37 0.00 -1.23 -4.35 105.19 100.64 1pk8 n GLY 365 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.25 2.73 3.15 -0.02 0.00 0.09 -5.03 105.19 103.86 1pk8 n GLY 366 Ca 0.00 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 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 2.99 0.31 0.99 1.43 0.20 -4.67 118.68 119.92 1pk8 s LEU 367 Ca 0.00 -0.95 0.07 0.00 -1.03 0.00 0.00 54.13 52.23 1pk8 s LEU 367 Cb 0.00 -1.59 0.50 0.00 0.03 0.00 0.00 46.19 45.13 1pk8 s LEU 367 CO 0.00 -0.11 1.72 0.44 0.23 0.00 0.00 176.35 178.63 1pk8 h ASP 368 N 7.93 0.21 -3.17 2.29 3.32 -1.91 -3.41 116.42 121.68 1pk8 h ASP 368 Ca -0.33 -0.09 -0.54 0.00 0.02 0.00 0.00 57.03 56.10 1pk8 h ASP 368 Cb 1.10 -0.06 -0.37 0.00 0.22 0.00 0.00 39.33 40.22 1pk8 h ASP 368 CO 0.56 0.59 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.24 1pk8 s ILE 369 N -4.16 1.11 0.29 0.35 1.01 -1.26 -1.49 121.20 117.05 1pk8 s ILE 369 Ca -0.04 -0.34 -0.20 0.00 0.00 0.00 0.00 60.65 60.06 1pk8 s ILE 369 Cb 0.14 -1.11 0.03 0.00 0.01 0.00 0.00 42.46 41.53 1pk8 s ILE 369 CO 0.76 0.38 0.77 0.00 0.00 0.00 0.00 174.94 176.85 1pk8 s ALA 371 N -3.43 -1.30 -0.06 0.00 0.00 -0.78 -0.73 121.76 115.46 1pk8 s ALA 371 Ca 0.12 0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.64 1pk8 s ALA 371 Cb -0.05 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 1pk8 s ALA 371 CO 0.08 -0.55 -0.24 0.08 0.00 0.00 0.00 175.76 175.13 1pk8 s VAL 372 N -2.73 1.98 -0.16 0.00 1.01 0.25 -0.97 120.40 119.79 1pk8 s VAL 372 Ca -0.04 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 1pk8 s VAL 372 Cb -0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1pk8 s VAL 372 CO -0.04 0.55 -0.02 -1.61 0.00 0.00 0.00 175.10 173.98 1pk8 s GLU 373 N -0.06 3.70 0.03 2.72 2.02 0.84 -0.96 118.70 126.99 1pk8 s GLU 373 Ca -0.06 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.46 1pk8 s GLU 373 Cb -0.14 -2.95 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 1pk8 s GLU 373 CO 0.04 0.26 -0.08 0.00 0.02 0.00 0.00 175.26 175.50 1pk8 s ALA 374 N 0.33 0.64 -0.12 5.21 0.00 0.64 -0.66 121.76 127.80 1pk8 s ALA 374 Ca -0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1pk8 s ALA 374 Cb -0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1pk8 s ALA 374 CO 0.03 0.04 -0.07 -0.51 0.00 0.00 0.00 175.76 175.25 1pk8 s LEU 375 N -1.26 3.10 -0.41 0.00 1.43 0.12 1.00 118.68 122.67 1pk8 s LEU 375 Ca -0.06 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1pk8 s LEU 375 Cb -0.08 -1.71 0.09 0.00 0.03 0.00 0.00 46.19 44.51 1pk8 s LEU 375 CO 0.00 0.23 0.23 -2.28 0.23 0.00 0.00 176.35 174.77 1pk8 s HIS 376 N -0.01 3.40 0.64 0.29 2.46 0.12 0.00 115.29 122.20 1pk8 s HIS 376 Ca -0.01 -1.82 -0.16 0.00 0.47 0.00 0.00 55.06 53.55 1pk8 s HIS 376 Cb -0.14 -3.01 -0.01 0.00 -0.13 0.00 0.00 32.58 29.29 1pk8 s HIS 376 CO 0.03 -0.89 1.14 0.20 -2.47 0.00 0.00 174.74 172.74 1pk8 s GLY 377 N 2.05 2.32 0.59 1.59 0.00 0.23 -0.81 107.32 113.29 1pk8 s GLY 377 Ca 0.04 0.69 0.29 0.00 0.00 0.00 0.00 44.72 45.73 1pk8 s GLY 377 CO -0.00 1.05 1.83 0.50 0.00 0.00 0.00 173.10 176.48 1pk8 h LYS 378 N 0.28 0.00 -0.40 2.90 1.57 -1.60 0.44 116.57 119.75 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 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1pk8 h LYS 378 CO 0.54 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.02 1pk8 n ASP 379 N -3.64 1.20 0.00 0.86 5.75 -1.26 -4.89 116.55 114.57 1pk8 n ASP 379 Ca 0.10 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1pk8 n ASP 379 Cb 0.76 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 0.54 2.26 3.83 6.12 0.00 0.15 -5.03 105.19 113.06 1pk8 n GLY 380 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.00 4.17 0.01 1.61 0.52 -1.24 -4.82 118.95 119.18 1pk8 s ARG 381 Ca 0.00 0.79 -0.05 0.00 -0.52 0.00 0.00 55.73 55.95 1pk8 s ARG 381 Cb 0.00 -2.76 -0.05 0.00 0.52 0.00 0.00 34.95 32.67 1pk8 s ARG 381 CO 0.00 0.33 0.25 -0.51 0.02 0.00 0.00 175.30 175.39 1pk8 s ASP 382 N -1.83 6.46 -0.15 0.23 1.01 -1.26 -0.60 116.67 120.52 1pk8 s ASP 382 Ca 0.46 0.50 -0.04 0.00 0.71 0.00 0.00 52.55 54.18 1pk8 s ASP 382 Cb -0.15 -2.06 0.05 0.00 1.01 0.00 0.00 42.92 41.77 1pk8 s ASP 382 CO 0.20 0.25 0.06 -1.00 0.21 0.00 0.00 175.17 174.89 1pk8 s HIS 383 N -1.31 0.50 -0.17 4.23 3.76 0.10 -4.82 115.29 117.58 1pk8 s HIS 383 Ca 0.28 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.49 1pk8 s HIS 383 Cb -0.13 -0.79 -0.00 0.00 1.11 0.00 0.00 32.58 32.77 1pk8 s HIS 383 CO 0.17 -0.49 1.02 0.42 -0.85 0.00 0.00 174.74 175.01 1pk8 s ILE 384 N 2.03 4.74 -0.02 0.60 1.01 0.14 0.15 121.20 129.86 1pk8 s ILE 384 Ca 0.02 2.03 0.11 0.00 0.00 0.00 0.00 60.65 62.81 1pk8 s ILE 384 Cb -0.15 -4.31 -0.18 0.00 0.01 0.00 0.00 42.46 37.83 1pk8 s ILE 384 CO -0.08 -0.08 0.24 2.30 0.00 0.00 0.00 174.94 177.33 1pk8 n ILE 385 N 4.92 0.02 -3.61 2.92 -5.35 0.17 -1.40 119.36 117.03 1pk8 n ILE 385 Ca 0.10 -0.27 -0.03 0.00 -0.27 0.00 0.00 62.75 62.28 1pk8 n ILE 385 Cb 0.47 0.21 -0.02 0.00 -1.74 0.00 0.00 39.64 38.57 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 -2.78 0.25 -0.09 6.28 -1.05 -1.22 -5.02 118.70 115.07 1pk8 s GLU 386 Ca -0.04 -0.10 0.02 0.00 -0.15 0.00 0.00 54.97 54.70 1pk8 s GLU 386 Cb 0.07 0.11 0.01 0.00 -0.44 0.00 0.00 34.13 33.89 1pk8 s GLU 386 CO 0.47 -0.11 -0.15 0.54 0.95 0.00 0.00 175.26 176.96 1pk8 s VAL 387 N -2.33 1.41 0.11 1.83 0.11 -1.26 -0.12 120.40 120.16 1pk8 s VAL 387 Ca 0.10 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.57 1pk8 s VAL 387 Cb -0.00 -1.28 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 1pk8 s VAL 387 CO -0.04 0.42 0.13 0.68 -3.33 0.00 0.00 175.10 172.96 1pk8 s VAL 388 N 0.81 4.67 0.00 2.04 -7.23 -0.14 -4.94 120.40 115.61 1pk8 s VAL 388 Ca -0.11 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 1pk8 s VAL 388 Cb -0.16 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.48 1pk8 s VAL 388 CO 0.02 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 1pk8 n GLY 389 N 0.12 1.53 0.00 2.32 0.00 -1.26 -1.87 105.19 106.03 1pk8 n GLY 389 Ca -0.08 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.46 1.61 3.41 -1.09 -1.47 113.62 114.63 1pk8 n SER 390 Ca 0.00 -0.02 0.09 0.00 -0.26 0.00 0.00 58.87 58.68 1pk8 n SER 390 Cb 0.00 -0.17 0.33 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.17 4.60 -4.72 4.04 3.41 -1.26 -4.26 113.62 114.26 1pk8 n SER 391 Ca 0.05 -2.51 -0.42 0.00 -0.26 0.00 0.00 58.87 55.73 1pk8 n SER 391 Cb 0.05 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 1pk8 n SER 391 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pk8 s MET 392 N -1.96 4.24 0.54 4.33 0.00 -0.54 -4.80 119.30 121.11 1pk8 s MET 392 Ca 0.48 2.30 -0.22 0.00 0.00 0.00 0.00 55.69 58.26 1pk8 s MET 392 Cb 0.32 -3.16 -0.05 0.00 0.00 0.00 0.00 34.83 31.94 1pk8 s MET 392 CO 0.22 -0.54 1.31 -1.25 0.00 0.00 0.00 175.02 174.75 1pk8 s PRO 393 N 0.81 3.22 -0.14 3.16 0.04 -1.26 -4.97 135.00 135.86 1pk8 s PRO 393 Ca 0.67 2.11 -0.19 0.00 0.04 0.00 0.00 61.00 63.62 1pk8 s PRO 393 Cb -0.42 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1pk8 s PRO 393 CO 0.34 -1.09 0.52 -0.51 0.04 0.00 0.00 177.00 176.30 1pk8 s LEU 394 N -3.51 4.24 0.00 -3.56 1.43 -1.26 -5.06 118.68 110.96 1pk8 s LEU 394 Ca 0.71 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1pk8 s LEU 394 Cb -0.37 -2.75 -0.00 0.00 0.03 0.00 0.00 46.19 43.09 1pk8 s LEU 394 CO 0.44 -0.08 0.05 2.30 0.23 0.00 0.00 176.35 179.29 1pk8 n ILE 395 N 3.98 0.00 -4.84 -0.59 -5.35 -1.26 -4.97 119.36 106.33 1pk8 n ILE 395 Ca -0.05 -2.37 0.00 0.00 -0.27 0.00 0.00 62.75 60.05 1pk8 n ILE 395 Cb 0.51 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 1pk8 n ILE 395 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pk8 n GLY 396 N -0.93 -0.34 0.23 3.28 0.00 -1.26 -4.18 105.19 101.99 1pk8 n GLY 396 Ca -0.16 -0.99 0.16 0.00 0.00 0.00 0.00 46.02 45.03 1pk8 n GLY 396 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pk8 h ASP 397 N 0.00 0.00 -1.52 1.61 3.32 -1.99 -3.34 116.42 114.50 1pk8 h ASP 397 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1pk8 h ASP 397 Cb 0.00 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.16 1pk8 h ASP 397 CO 0.00 0.00 -0.31 1.41 -1.72 0.00 0.00 179.24 178.62 1pk8 n HIS 398 N -2.83 3.25 0.03 4.55 8.25 -1.26 -4.72 115.22 122.49 1pk8 n HIS 398 Ca 0.01 -2.85 -0.09 0.00 -0.26 0.00 0.00 57.72 54.53 1pk8 n HIS 398 Cb 0.28 -0.39 0.06 0.00 1.12 0.00 0.00 29.99 31.06 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 2.60 0.47 -0.08 -0.41 4.20 -1.73 -1.87 115.11 118.29 1pk8 h GLN 399 Ca 0.38 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1pk8 h GLN 399 Cb 0.80 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1pk8 h GLN 399 CO 0.99 0.92 0.02 0.22 -0.67 0.00 0.00 178.83 180.32 1pk8 h ASP 400 N 0.35 0.12 -0.72 1.46 3.58 -1.93 -1.59 116.42 117.69 1pk8 h ASP 400 Ca -0.00 -0.21 0.06 0.00 0.42 0.00 0.00 57.03 57.30 1pk8 h ASP 400 Cb 1.13 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 42.09 1pk8 h ASP 400 CO 0.11 0.30 0.42 -0.08 -2.88 0.00 0.00 179.24 177.10 1pk8 h GLU 401 N -0.06 0.75 -0.24 0.28 4.81 -1.90 -1.85 114.58 116.37 1pk8 h GLU 401 Ca 0.03 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1pk8 h GLU 401 Cb 0.22 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1pk8 h GLU 401 CO -0.00 0.50 -0.11 -0.44 -0.73 0.00 0.00 179.01 178.23 1pk8 h ASP 402 N 0.77 0.38 -0.23 1.04 3.32 -1.13 -1.12 116.42 119.45 1pk8 h ASP 402 Ca 0.32 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1pk8 h ASP 402 Cb 0.17 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1pk8 h ASP 402 CO -0.18 0.52 0.01 0.11 -1.72 0.00 0.00 179.24 177.98 1pk8 h LYS 403 N 0.37 0.40 -0.50 3.56 1.57 -0.51 -1.49 116.57 119.98 1pk8 h LYS 403 Ca 0.07 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1pk8 h LYS 403 Cb 0.42 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1pk8 h LYS 403 CO 0.02 0.57 0.25 1.96 -0.57 0.00 0.00 179.45 181.69 1pk8 h GLN 404 N 0.17 0.69 -0.59 3.15 4.20 -1.04 -0.41 115.11 121.28 1pk8 h GLN 404 Ca 0.07 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1pk8 h GLN 404 Cb 0.39 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1pk8 h GLN 404 CO 0.01 0.53 0.04 -0.07 -0.67 0.00 0.00 178.83 178.67 1pk8 h LEU 405 N 0.69 0.96 -0.58 1.46 3.38 -0.92 -0.30 115.31 120.01 1pk8 h LEU 405 Ca 0.18 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1pk8 h LEU 405 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1pk8 h LEU 405 CO -0.03 0.99 0.02 0.40 0.09 0.00 0.00 178.44 179.91 1pk8 h ILE 406 N 0.93 1.26 0.39 1.22 2.04 -0.30 0.93 117.51 123.99 1pk8 h ILE 406 Ca 0.18 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1pk8 h ILE 406 Cb 0.48 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1pk8 h ILE 406 CO 0.02 0.40 -0.33 0.58 0.00 0.00 0.00 178.15 178.82 1pk8 h VAL 407 N 0.91 0.31 -0.61 1.67 2.07 -0.58 0.48 116.25 120.50 1pk8 h VAL 407 Ca 0.17 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.77 1pk8 h VAL 407 Cb 0.53 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 1pk8 h VAL 407 CO 0.03 0.00 0.27 -0.33 0.02 0.00 0.00 177.57 177.56 1pk8 h GLU 408 N -0.74 0.47 -0.21 1.57 5.08 -0.91 0.27 114.58 120.12 1pk8 h GLU 408 Ca -0.03 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1pk8 h GLU 408 Cb 0.64 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1pk8 h GLU 408 CO -0.03 0.31 0.09 1.25 -1.00 0.00 0.00 179.01 179.64 1pk8 h LEU 409 N 0.48 0.13 -0.31 1.33 5.85 -0.25 -0.27 115.31 122.27 1pk8 h LEU 409 Ca 0.30 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 1pk8 h LEU 409 Cb 0.32 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1pk8 h LEU 409 CO -0.26 0.11 0.04 0.58 -0.34 0.00 0.00 178.44 178.57 1pk8 h VAL 410 N 0.21 1.24 -0.76 1.05 2.07 0.76 -0.33 116.25 120.48 1pk8 h VAL 410 Ca 0.09 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.86 1pk8 h VAL 410 Cb 0.03 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1pk8 h VAL 410 CO -0.07 0.27 0.44 0.58 0.02 0.00 0.00 177.57 178.81 1pk8 h VAL 411 N 0.34 0.95 -0.46 2.57 2.07 -0.30 0.34 116.25 121.76 1pk8 h VAL 411 Ca 0.09 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1pk8 h VAL 411 Cb 0.36 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1pk8 h VAL 411 CO 0.01 0.14 0.19 0.78 0.02 0.00 0.00 177.57 178.71 1pk8 h ASN 412 N 0.77 0.62 -0.22 0.57 2.35 -0.71 -0.60 115.58 118.36 1pk8 h ASN 412 Ca 0.35 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 1pk8 h ASN 412 Cb 0.26 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1pk8 h ASN 412 CO -0.21 0.62 -0.14 0.11 -1.65 0.00 0.00 177.43 176.16 1pk8 h LYS 413 N 0.60 0.63 -0.10 0.81 1.79 0.06 -3.03 116.57 117.33 1pk8 h LYS 413 Ca 0.15 -0.21 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1pk8 h LYS 413 Cb 0.18 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1pk8 h LYS 413 CO -0.01 0.75 -0.04 0.52 -1.08 0.00 0.00 179.45 179.59 1pk8 h MET 414 N 0.57 0.20 -1.01 3.15 2.86 -0.13 -3.04 114.93 117.53 1pk8 h MET 414 Ca 0.10 -0.08 0.28 0.00 -2.06 0.00 0.00 59.70 57.93 1pk8 h MET 414 Cb 0.57 -0.01 -0.13 0.00 0.06 0.00 0.00 31.60 32.09 1pk8 h MET 414 CO 0.04 0.54 0.60 1.15 1.06 0.00 0.00 176.91 180.30 1pk8 h THR 415 N -0.15 0.43 0.00 2.22 2.02 -1.01 -3.51 112.91 112.91 1pk8 h THR 415 Ca 0.02 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1pk8 h THR 415 Cb 0.48 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1pk8 h THR 415 CO 0.01 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.99