#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkk n MET 136 N 0.00 0.00 -2.97 -0.41 1.56 -1.06 -3.89 117.12 110.35 2qkk n MET 136 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.42 2qkk n MET 136 Cb 0.00 -0.71 -0.01 0.00 2.15 0.00 0.00 33.22 34.65 2qkk n MET 136 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2qkk n GLY 137 N 3.36 -1.71 4.69 -5.12 0.00 -1.26 -3.10 105.19 102.05 2qkk n GLY 137 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2qkk n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qkk n ASP 138 N 1.62 0.00 -4.64 1.61 10.43 -1.25 -4.87 116.55 119.45 2qkk n ASP 138 Ca -0.07 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.89 2qkk n ASP 138 Cb 0.29 0.00 -0.06 0.00 1.84 0.00 0.00 41.12 43.18 2qkk n ASP 138 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 2qkk s PHE 139 N 0.00 3.32 0.37 1.24 0.40 -1.18 -4.85 117.98 117.28 2qkk s PHE 139 Ca 0.00 0.83 -0.25 0.00 -0.60 0.00 0.00 56.93 56.91 2qkk s PHE 139 Cb 0.00 -2.80 -0.09 0.00 0.51 0.00 0.00 43.02 40.64 2qkk s PHE 139 CO 0.00 -0.25 1.02 0.54 0.70 0.00 0.00 175.22 177.24 2qkk s VAL 140 N 2.20 3.84 -0.10 -0.44 0.11 -0.87 -0.96 120.40 124.17 2qkk s VAL 140 Ca 0.26 1.48 -0.02 0.00 -2.93 0.00 0.00 61.98 60.76 2qkk s VAL 140 Cb -0.16 -3.80 -0.03 0.00 -1.53 0.00 0.00 36.38 30.86 2qkk s VAL 140 CO 0.09 0.07 0.00 -0.69 -3.33 0.00 0.00 175.10 171.25 2qkk s VAL 141 N -1.60 4.30 0.01 2.04 1.01 -1.26 -1.52 120.40 123.38 2qkk s VAL 141 Ca 0.54 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2qkk s VAL 141 Cb -0.22 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 2qkk s VAL 141 CO 0.28 0.58 -0.03 0.54 0.00 0.00 0.00 175.10 176.47 2qkk s VAL 142 N -0.64 0.18 -0.08 2.92 0.11 -0.85 -4.68 120.40 117.38 2qkk s VAL 142 Ca 0.10 -0.38 -0.00 0.00 -2.93 0.00 0.00 61.98 58.77 2qkk s VAL 142 Cb -0.12 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 2qkk s VAL 142 CO 0.02 -0.13 -0.04 -0.31 -3.33 0.00 0.00 175.10 171.31 2qkk s TYR 143 N -0.52 3.02 -0.02 1.54 2.02 -0.73 -1.60 117.35 121.06 2qkk s TYR 143 Ca -0.04 0.08 -0.00 0.00 -0.37 0.00 0.00 57.07 56.74 2qkk s TYR 143 Cb -0.04 -1.74 0.03 0.00 -0.40 0.00 0.00 41.96 39.81 2qkk s TYR 143 CO -0.00 0.38 0.03 0.95 -1.57 0.00 0.00 175.55 175.33 2qkk s THR 144 N -0.81 -0.06 0.04 -0.71 -4.23 -0.77 -0.26 115.64 108.83 2qkk s THR 144 Ca 0.12 0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.88 2qkk s THR 144 Cb -0.11 -0.08 -0.02 0.00 1.34 0.00 0.00 72.50 73.63 2qkk s THR 144 CO 0.02 0.09 -0.10 -0.62 -0.54 0.00 0.00 174.62 173.47 2qkk s ASP 145 N 1.08 1.10 0.43 3.99 3.68 -0.77 -4.32 116.67 121.86 2qkk s ASP 145 Ca -0.09 -0.47 0.08 0.00 2.13 0.00 0.00 52.55 54.20 2qkk s ASP 145 Cb -0.13 -0.02 0.00 0.00 -1.45 0.00 0.00 42.92 41.32 2qkk s ASP 145 CO -0.03 -0.09 0.51 -0.83 0.13 0.00 0.00 175.17 174.86 2qkk s GLY 146 N -1.28 2.01 -0.29 2.66 0.00 -1.26 -1.53 107.32 107.62 2qkk s GLY 146 Ca -0.05 -1.77 -0.15 0.00 0.00 0.00 0.00 44.72 42.76 2qkk s GLY 146 CO 0.01 -1.59 0.89 0.00 0.00 0.00 0.00 173.10 172.41 2qkk n SER 149 N 2.44 -1.73 -3.85 0.00 3.41 0.20 -2.77 113.62 111.32 2qkk n SER 149 Ca 0.27 0.66 -0.29 0.00 -0.26 0.00 0.00 58.87 59.26 2qkk n SER 149 Cb 0.49 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 2qkk n SER 149 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2qkk n SER 150 N 0.75 -4.68 -4.81 4.04 2.88 -1.26 -0.92 113.62 109.62 2qkk n SER 150 Ca 0.10 -1.04 -0.37 0.00 -1.33 0.00 0.00 58.87 56.23 2qkk n SER 150 Cb 0.48 -1.61 -0.07 0.00 -0.75 0.00 0.00 64.21 62.27 2qkk n SER 150 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2qkk s ASN 151 N -3.08 6.45 -0.24 -3.46 2.47 -1.11 -3.23 114.94 112.74 2qkk s ASN 151 Ca 0.08 0.53 0.00 0.00 0.42 0.00 0.00 52.86 53.90 2qkk s ASN 151 Cb -0.05 -2.13 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 2qkk s ASN 151 CO 0.91 0.29 0.00 0.61 -3.72 0.00 0.00 177.10 175.19 2qkk n GLY 152 N 2.50 0.46 0.00 1.21 0.00 -1.26 -5.02 105.19 103.07 2qkk n GLY 152 Ca -0.16 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2qkk n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qkk n ARG 153 N -2.30 0.66 0.05 1.61 1.74 -1.26 -5.10 116.66 112.06 2qkk n ARG 153 Ca -0.03 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.02 2qkk n ARG 153 Cb 0.25 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.66 2qkk n ARG 153 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qkk h ARG 154 N 0.00 -0.19 -4.19 5.56 -0.00 -1.95 -3.38 114.38 110.23 2qkk h ARG 154 Ca 0.00 0.01 -0.70 0.00 -0.50 0.00 0.00 59.98 58.79 2qkk h ARG 154 Cb 0.00 0.04 -0.34 0.00 0.00 0.00 0.00 29.97 29.68 2qkk h ARG 154 CO 0.00 -0.13 -0.46 1.03 0.00 0.00 0.00 179.97 180.41 2qkk s ARG 155 N -3.60 2.26 0.26 0.04 3.00 -1.26 -5.08 118.95 114.57 2qkk s ARG 155 Ca -0.04 -2.03 -0.28 0.00 0.00 0.00 0.00 55.73 53.38 2qkk s ARG 155 Cb 0.01 -3.69 -0.09 0.00 0.00 0.00 0.00 34.95 31.18 2qkk s ARG 155 CO 0.13 -1.12 0.92 -2.14 0.00 0.00 0.00 175.30 173.08 2qkk s PRO 156 N 0.81 4.74 -0.16 3.54 0.02 -1.20 -4.66 135.00 138.08 2qkk s PRO 156 Ca 0.11 1.40 -0.01 0.00 0.02 0.00 0.00 61.00 62.52 2qkk s PRO 156 Cb -0.22 -3.13 0.04 0.00 0.02 0.00 0.00 34.50 31.21 2qkk s PRO 156 CO -0.04 0.45 -0.03 1.03 -0.33 0.00 0.00 177.00 178.09 2qkk s ARG 157 N -1.44 1.18 0.00 5.54 0.52 -0.10 -4.82 118.95 119.83 2qkk s ARG 157 Ca 0.43 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.21 2qkk s ARG 157 Cb -0.23 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 2qkk s ARG 157 CO 0.29 -0.47 -0.03 0.00 0.02 0.00 0.00 175.30 175.11 2qkk s ALA 158 N 1.71 3.18 0.22 2.13 0.00 -1.26 0.59 121.76 128.33 2qkk s ALA 158 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2qkk s ALA 158 Cb -0.15 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 2qkk s ALA 158 CO -0.07 0.63 0.11 0.20 0.00 0.00 0.00 175.76 176.63 2qkk s GLY 159 N -1.50 1.54 0.11 0.00 0.00 0.38 -1.88 107.32 105.97 2qkk s GLY 159 Ca 0.19 -1.76 0.09 0.00 0.00 0.00 0.00 44.72 43.23 2qkk s GLY 159 CO 0.09 -1.49 -0.23 -0.42 0.00 0.00 0.00 173.10 171.05 2qkk s ILE 160 N -3.95 1.87 -0.02 0.90 -1.09 0.27 -2.77 121.20 116.40 2qkk s ILE 160 Ca 0.37 -1.60 -0.07 0.00 -2.23 0.00 0.00 60.65 57.13 2qkk s ILE 160 Cb 0.07 -1.68 0.01 0.00 -1.58 0.00 0.00 42.46 39.28 2qkk s ILE 160 CO 0.12 -0.01 0.15 -0.83 -1.23 0.00 0.00 174.94 173.14 2qkk s GLY 161 N -1.93 -0.02 -0.30 6.18 0.00 -0.59 -2.92 107.32 107.74 2qkk s GLY 161 Ca 0.09 0.10 -0.07 0.00 0.00 0.00 0.00 44.72 44.84 2qkk s GLY 161 CO 0.05 -0.01 0.65 0.54 0.00 0.00 0.00 173.10 174.33 2qkk s VAL 162 N -0.79 -0.97 -0.13 1.40 0.11 -1.01 -1.85 120.40 117.17 2qkk s VAL 162 Ca -0.09 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.91 2qkk s VAL 162 Cb -0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 2qkk s VAL 162 CO 0.01 0.00 0.06 -0.47 -3.33 0.00 0.00 175.10 171.37 2qkk s TYR 163 N 2.87 3.31 -0.22 1.54 6.14 0.64 -2.50 117.35 129.13 2qkk s TYR 163 Ca 0.05 0.23 0.02 0.00 0.64 0.00 0.00 57.07 58.01 2qkk s TYR 163 Cb -0.13 -1.94 0.00 0.00 0.42 0.00 0.00 41.96 40.32 2qkk s TYR 163 CO -0.20 0.42 0.40 0.91 0.64 0.00 0.00 175.55 177.72 2qkk n TRP 164 N 2.64 0.00 0.00 4.97 7.02 -1.26 -1.78 117.44 129.03 2qkk n TRP 164 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 2qkk n TRP 164 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 2qkk n TRP 164 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2qkk n GLY 165 N 0.45 2.24 3.70 6.99 0.00 -1.26 -4.95 105.19 112.36 2qkk n GLY 165 Ca 0.01 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.67 2qkk n GLY 165 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qkk n PRO 166 N -1.75 2.40 -3.14 1.61 -0.02 -1.26 -2.75 135.00 130.10 2qkk n PRO 166 Ca 0.00 0.86 -0.19 0.00 -2.02 0.00 0.00 63.50 62.15 2qkk n PRO 166 Cb 0.00 -2.63 -0.01 0.00 -0.02 0.00 0.00 33.50 30.84 2qkk n PRO 166 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qkk n GLY 167 N 3.09 -0.48 3.71 -1.23 0.00 -1.26 -4.90 105.19 104.12 2qkk n GLY 167 Ca 0.14 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2qkk n GLY 167 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qkk s HIS 168 N -2.74 3.64 -1.06 1.61 5.04 -1.11 -4.90 115.29 115.77 2qkk s HIS 168 Ca 0.29 1.67 0.00 0.00 -1.54 0.00 0.00 55.06 55.48 2qkk s HIS 168 Cb -0.16 -3.14 0.00 0.00 0.04 0.00 0.00 32.58 29.32 2qkk s HIS 168 CO 0.36 -0.09 0.59 -0.35 -2.34 0.00 0.00 174.74 172.90 2qkk n PRO 169 N 3.97 0.00 0.00 2.88 -0.04 -1.26 -0.35 135.00 140.20 2qkk n PRO 169 Ca 0.06 0.17 0.07 0.00 -0.04 0.00 0.00 63.50 63.76 2qkk n PRO 169 Cb 0.51 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 2qkk n PRO 169 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qkk n LEU 170 N -1.09 1.28 -4.57 1.53 4.32 -1.26 -4.96 117.00 112.25 2qkk n LEU 170 Ca 0.00 -0.71 -0.42 0.00 -0.02 0.00 0.00 56.01 54.85 2qkk n LEU 170 Cb 0.07 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.84 2qkk n LEU 170 CO 0.00 0.26 1.89 0.59 -1.22 0.00 0.00 177.39 178.91 2qkk n ASN 171 N -0.40 2.92 -4.54 -1.43 3.02 0.53 -4.88 115.26 110.48 2qkk n ASN 171 Ca 0.05 0.08 -0.33 0.00 -0.03 0.00 0.00 54.58 54.34 2qkk n ASN 171 Cb 0.27 -1.53 -0.12 0.00 -0.61 0.00 0.00 39.78 37.79 2qkk n ASN 171 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qkk s VAL 172 N 9.04 3.48 -0.43 2.41 1.01 -1.04 -5.02 120.40 129.85 2qkk s VAL 172 Ca 1.02 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2qkk s VAL 172 Cb -0.37 -2.41 0.16 0.00 0.00 0.00 0.00 36.38 33.77 2qkk s VAL 172 CO 0.35 0.60 0.33 -0.83 0.00 0.00 0.00 175.10 175.55 2qkk s GLY 173 N -0.77 1.34 0.25 4.51 0.00 -1.26 -2.40 107.32 108.99 2qkk s GLY 173 Ca 0.12 -2.51 0.08 0.00 0.00 0.00 0.00 44.72 42.41 2qkk s GLY 173 CO 0.01 1.99 0.07 -0.26 0.00 0.00 0.00 173.10 174.91 2qkk s ILE 174 N 0.06 3.85 0.38 0.90 -4.36 -1.15 -4.56 121.20 116.32 2qkk s ILE 174 Ca 0.29 -1.67 -0.13 0.00 -0.26 0.00 0.00 60.65 58.89 2qkk s ILE 174 Cb -0.02 -3.05 -0.08 0.00 1.25 0.00 0.00 42.46 40.56 2qkk s ILE 174 CO -0.16 -0.33 0.77 -0.60 0.24 0.00 0.00 174.94 174.86 2qkk s ARG 175 N -3.65 3.88 -0.29 0.37 3.52 -1.24 0.94 118.95 122.48 2qkk s ARG 175 Ca 0.31 0.58 -0.23 0.00 -0.13 0.00 0.00 55.73 56.27 2qkk s ARG 175 Cb -0.07 -2.39 -0.00 0.00 -1.56 0.00 0.00 34.95 30.92 2qkk s ARG 175 CO 0.22 0.03 0.76 -1.17 -0.81 0.00 0.00 175.30 174.32 2qkk s LEU 176 N -3.51 4.09 0.41 -0.88 2.96 -0.79 -4.79 118.68 116.17 2qkk s LEU 176 Ca 0.53 0.69 -0.22 0.00 -0.22 0.00 0.00 54.13 54.91 2qkk s LEU 176 Cb -0.10 -3.04 -0.10 0.00 0.50 0.00 0.00 46.19 43.44 2qkk s LEU 176 CO 0.26 -0.56 0.97 -2.16 -1.32 0.00 0.00 176.35 173.53 2qkk s PRO 177 N 2.86 4.23 0.00 0.98 0.04 -1.26 -4.81 135.00 137.05 2qkk s PRO 177 Ca 0.31 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2qkk s PRO 177 Cb -0.14 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2qkk s PRO 177 CO 0.11 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.53 2qkk n GLY 178 N -0.25 0.31 3.72 0.56 0.00 -1.26 -4.93 105.19 103.35 2qkk n GLY 178 Ca 0.06 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 2qkk n GLY 178 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qkk s ARG 179 N -1.08 4.19 -0.61 1.61 1.70 -1.26 -4.91 118.95 118.59 2qkk s ARG 179 Ca 0.00 2.44 -0.27 0.00 -0.47 0.00 0.00 55.73 57.43 2qkk s ARG 179 Cb 0.00 -3.12 0.00 0.00 -0.57 0.00 0.00 34.95 31.27 2qkk s ARG 179 CO 0.00 -0.63 1.56 -0.65 -1.08 0.00 0.00 175.30 174.49 2qkk s GLN 180 N 0.90 3.03 -0.18 3.89 1.11 -1.26 -4.92 119.66 122.24 2qkk s GLN 180 Ca 0.70 0.38 -0.15 0.00 0.01 0.00 0.00 55.36 56.30 2qkk s GLN 180 Cb -0.46 -4.24 0.05 0.00 -1.01 0.00 0.00 33.01 27.36 2qkk s GLN 180 CO 0.34 -2.27 0.46 0.95 0.01 0.00 0.00 175.29 174.78 2qkk s THR 181 N 7.09 -0.00 0.00 -0.19 -4.23 -1.26 -4.74 115.64 112.30 2qkk s THR 181 Ca 0.54 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2qkk s THR 181 Cb -0.11 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.07 2qkk s THR 181 CO 0.21 0.01 0.14 -0.46 -0.54 0.00 0.00 174.62 173.98 2qkk n ASN 182 N 3.06 0.00 0.00 3.99 6.94 -1.26 -2.41 115.26 125.58 2qkk n ASN 182 Ca -0.15 0.14 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 2qkk n ASN 182 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 2qkk n ASN 182 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qkk n GLN 183 N -0.29 0.00 -0.19 -3.83 1.13 -1.26 0.20 117.38 113.14 2qkk n GLN 183 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 2qkk n GLN 183 Cb 0.00 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.40 2qkk n GLN 183 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2qkk h ARG 184 N 0.00 -0.00 -0.03 -1.09 2.43 -1.87 0.28 114.38 114.10 2qkk h ARG 184 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qkk h ARG 184 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2qkk h ARG 184 CO 0.00 -0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 2qkk h ALA 185 N 1.57 0.04 -0.53 2.80 0.00 0.27 -0.48 119.26 122.92 2qkk h ALA 185 Ca 0.28 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2qkk h ALA 185 Cb 0.42 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 2qkk h ALA 185 CO -0.59 -0.32 -0.48 1.49 0.00 0.00 0.00 179.25 179.35 2qkk h GLU 186 N -0.22 -0.20 -0.56 0.00 4.57 0.83 0.24 114.58 119.24 2qkk h GLU 186 Ca 0.01 0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 2qkk h GLU 186 Cb 0.28 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2qkk h GLU 186 CO 0.00 -0.13 -0.02 -0.84 -1.18 0.00 0.00 179.01 176.83 2qkk h ILE 187 N -0.20 1.27 -0.01 2.32 3.07 -0.54 -2.35 117.51 121.06 2qkk h ILE 187 Ca 0.09 -1.16 0.00 0.00 1.55 0.00 0.00 64.86 65.34 2qkk h ILE 187 Cb 0.44 0.89 -0.00 0.00 -0.27 0.00 0.00 36.82 37.88 2qkk h ILE 187 CO -0.61 0.41 0.02 0.45 -1.05 0.00 0.00 178.15 177.37 2qkk h HIS 188 N 0.89 0.00 -0.16 0.16 3.86 -0.17 0.53 115.15 120.26 2qkk h HIS 188 Ca 0.16 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.28 2qkk h HIS 188 Cb 0.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2qkk h HIS 188 CO 0.04 0.00 -0.28 0.00 0.86 0.00 0.00 177.93 178.55 2qkk h ALA 189 N 1.98 1.23 -0.21 2.45 0.00 0.00 0.31 119.26 125.02 2qkk h ALA 189 Ca 0.01 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 2qkk h ALA 189 Cb 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qkk h ALA 189 CO -0.00 0.51 -0.32 0.00 0.00 0.00 0.00 179.25 179.44 2qkk h ALA 190 N 1.44 0.32 0.59 0.00 0.00 0.03 -2.58 119.26 119.06 2qkk h ALA 190 Ca 0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2qkk h ALA 190 Cb 0.64 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2qkk h ALA 190 CO 0.05 0.36 -0.47 0.00 0.00 0.00 0.00 179.25 179.19 2qkk h LYS 192 N -1.04 0.39 0.00 0.00 1.63 -0.45 -1.20 116.57 115.91 2qkk h LYS 192 Ca -0.07 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 2qkk h LYS 192 Cb 0.87 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 2qkk h LYS 192 CO -0.00 0.26 0.00 0.00 -3.45 0.00 0.00 179.45 176.26 2qkk n ALA 193 N -2.45 -0.26 -0.28 5.00 0.00 -0.84 -0.93 120.51 120.75 2qkk n ALA 193 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 2qkk n ALA 193 Cb 0.89 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.34 2qkk n ALA 193 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qkk n ILE 194 N -1.35 -0.41 0.19 0.00 5.41 -0.77 0.09 119.36 122.53 2qkk n ILE 194 Ca 0.00 1.67 -0.17 0.00 1.00 0.00 0.00 62.75 65.25 2qkk n ILE 194 Cb 0.00 -2.16 -0.09 0.00 -0.71 0.00 0.00 39.64 36.68 2qkk n ILE 194 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2qkk h GLU 195 N 0.00 -0.82 -0.77 0.38 4.81 -1.29 -1.14 114.58 115.75 2qkk h GLU 195 Ca 0.20 0.06 0.18 0.00 -0.13 0.00 0.00 59.36 59.66 2qkk h GLU 195 Cb 0.37 0.19 -0.14 0.00 0.63 0.00 0.00 28.75 29.80 2qkk h GLU 195 CO -0.69 -0.55 -0.03 0.37 -0.73 0.00 0.00 179.01 177.39 2qkk h GLN 196 N -0.85 0.08 -0.86 1.92 4.15 0.15 -0.71 115.11 118.98 2qkk h GLN 196 Ca -0.03 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.42 2qkk h GLN 196 Cb 0.80 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.42 2qkk h GLN 196 CO -0.18 0.05 0.56 0.00 -1.93 0.00 0.00 178.83 177.32 2qkk h ALA 197 N 1.74 1.13 -0.99 3.38 0.00 -0.05 -2.60 119.26 121.87 2qkk h ALA 197 Ca 0.42 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.42 2qkk h ALA 197 Cb 0.73 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2qkk h ALA 197 CO -0.71 0.41 0.63 1.57 0.00 0.00 0.00 179.25 181.15 2qkk h LYS 198 N 1.09 0.93 -0.74 0.00 -0.00 0.07 0.28 116.57 118.19 2qkk h LYS 198 Ca 0.34 -0.06 0.09 0.00 -0.00 0.00 0.00 60.65 61.03 2qkk h LYS 198 Cb -0.01 -0.21 -0.07 0.00 -0.00 0.00 0.00 32.23 31.94 2qkk h LYS 198 CO -0.11 0.62 0.39 1.79 -0.00 0.00 0.00 179.45 182.13 2qkk h THR 199 N 0.96 0.86 0.00 0.07 1.35 -1.42 0.56 112.91 115.30 2qkk h THR 199 Ca 0.50 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 2qkk h THR 199 Cb 0.53 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 2qkk h THR 199 CO -0.27 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 175.12 2qkk n GLN 200 N -4.83 0.63 -2.18 4.72 1.13 0.07 -4.79 117.38 112.13 2qkk n GLN 200 Ca 0.12 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.99 2qkk n GLN 200 Cb 0.28 -1.12 -0.03 0.00 0.11 0.00 0.00 30.24 29.48 2qkk n GLN 200 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2qkk n ASN 201 N -0.62 -5.25 -4.67 1.08 3.02 0.20 -4.94 115.26 104.07 2qkk n ASN 201 Ca 0.04 0.15 -0.38 0.00 -0.03 0.00 0.00 54.58 54.36 2qkk n ASN 201 Cb 0.02 -4.47 -0.08 0.00 -0.61 0.00 0.00 39.78 34.64 2qkk n ASN 201 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2qkk s ILE 202 N -2.83 5.25 -1.69 2.41 1.10 -1.09 -4.98 121.20 119.36 2qkk s ILE 202 Ca 0.00 0.56 0.15 0.00 -0.51 0.00 0.00 60.65 60.85 2qkk s ILE 202 Cb 0.00 -3.66 0.22 0.00 0.15 0.00 0.00 42.46 39.17 2qkk s ILE 202 CO 0.00 0.28 1.10 -0.46 -2.11 0.00 0.00 174.94 173.76 2qkk n ASN 203 N 4.39 2.60 -3.66 4.50 6.94 -1.26 -4.18 115.26 124.59 2qkk n ASN 203 Ca -0.10 -1.76 -0.08 0.00 -0.02 0.00 0.00 54.58 52.62 2qkk n ASN 203 Cb 0.51 -0.11 -0.09 0.00 -2.36 0.00 0.00 39.78 37.74 2qkk n ASN 203 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2qkk s LYS 204 N -1.18 0.35 0.00 -3.83 -2.85 -1.26 -1.46 119.74 109.51 2qkk s LYS 204 Ca 0.22 1.06 -0.08 0.00 -1.00 0.00 0.00 55.97 56.17 2qkk s LYS 204 Cb 0.14 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 2qkk s LYS 204 CO 0.20 -0.24 0.16 -0.48 0.10 0.00 0.00 175.35 175.09 2qkk s LEU 205 N 2.57 1.46 -0.18 2.77 2.34 -0.91 -2.04 118.68 124.69 2qkk s LEU 205 Ca -0.02 -0.17 -0.24 0.00 0.06 0.00 0.00 54.13 53.75 2qkk s LEU 205 Cb -0.12 0.75 -0.01 0.00 -0.56 0.00 0.00 46.19 46.25 2qkk s LEU 205 CO -0.13 -0.38 0.80 -0.69 -1.06 0.00 0.00 176.35 174.88 2qkk s VAL 206 N -1.38 4.90 -0.39 1.48 1.01 -0.57 -1.55 120.40 123.89 2qkk s VAL 206 Ca -0.15 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 63.34 2qkk s VAL 206 Cb -0.07 -4.10 0.09 0.00 0.00 0.00 0.00 36.38 32.29 2qkk s VAL 206 CO 0.02 0.03 0.18 -0.22 0.00 0.00 0.00 175.10 175.11 2qkk s LEU 207 N 2.20 4.97 -0.02 3.92 0.20 -0.20 -2.00 118.68 127.75 2qkk s LEU 207 Ca 0.36 -1.74 -0.23 0.00 0.69 0.00 0.00 54.13 53.22 2qkk s LEU 207 Cb -0.16 -1.85 -0.05 0.00 -0.43 0.00 0.00 46.19 43.70 2qkk s LEU 207 CO 0.11 -0.49 0.68 -0.31 -0.29 0.00 0.00 176.35 176.05 2qkk s TYR 208 N 1.24 3.64 -0.13 5.38 1.51 -0.63 -1.56 117.35 126.81 2qkk s TYR 208 Ca 0.04 1.28 -0.17 0.00 -1.01 0.00 0.00 57.07 57.21 2qkk s TYR 208 Cb -0.22 -2.74 0.04 0.00 -0.11 0.00 0.00 41.96 38.93 2qkk s TYR 208 CO -0.02 0.21 0.43 -0.08 -1.11 0.00 0.00 175.55 174.99 2qkk s THR 209 N 0.30 0.01 -2.22 -0.71 -1.32 -0.84 -1.85 115.64 109.01 2qkk s THR 209 Ca 0.35 -0.10 0.30 0.00 -1.21 0.00 0.00 61.69 61.03 2qkk s THR 209 Cb -0.18 -0.65 0.73 0.00 -1.51 0.00 0.00 72.50 70.89 2qkk s THR 209 CO 0.19 -0.06 1.99 -0.46 -2.21 0.00 0.00 174.62 174.07 2qkk n ASN 210 N 2.35 0.69 -4.54 8.08 6.94 -1.26 -3.06 115.26 124.47 2qkk n ASN 210 Ca -0.15 -1.25 -0.41 0.00 -0.02 0.00 0.00 54.58 52.75 2qkk n ASN 210 Cb 0.57 -0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.95 2qkk n ASN 210 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2qkk s SER 211 N -1.98 6.17 0.07 0.53 0.15 -1.26 -4.82 113.70 112.57 2qkk s SER 211 Ca 0.43 -0.47 -0.34 0.00 0.70 0.00 0.00 55.95 56.26 2qkk s SER 211 Cb 0.21 -2.55 -0.17 0.00 -1.71 0.00 0.00 66.02 61.80 2qkk s SER 211 CO 0.35 -1.78 1.52 -0.03 1.20 0.00 0.00 173.24 174.50 2qkk h MET 212 N 9.96 -1.01 -0.62 5.44 4.05 -1.96 -2.74 114.93 128.05 2qkk h MET 212 Ca -0.28 0.07 0.06 0.00 -0.28 0.00 0.00 59.70 59.27 2qkk h MET 212 Cb 1.05 0.23 -0.07 0.00 -0.80 0.00 0.00 31.60 32.01 2qkk h MET 212 CO 1.27 -0.67 -0.37 0.34 0.23 0.00 0.00 176.91 177.71 2qkk n PHE 213 N -5.35 -0.27 -0.00 1.39 7.35 -1.26 -0.27 117.46 119.04 2qkk n PHE 213 Ca -0.13 0.78 -0.03 0.00 -0.76 0.00 0.00 57.45 57.31 2qkk n PHE 213 Cb 0.46 -0.54 -0.02 0.00 0.35 0.00 0.00 39.48 39.73 2qkk n PHE 213 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 2qkk h THR 214 N 0.00 0.00 0.00 -2.13 2.02 -1.90 0.59 112.91 111.50 2qkk h THR 214 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2qkk h THR 214 Cb 0.25 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2qkk h THR 214 CO -0.58 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 174.93 2qkk n ILE 215 N -3.10 0.00 -0.51 3.11 5.41 0.30 -0.52 119.36 124.06 2qkk n ILE 215 Ca -0.01 1.48 0.42 0.00 1.00 0.00 0.00 62.75 65.64 2qkk n ILE 215 Cb 0.07 -2.17 0.70 0.00 -0.71 0.00 0.00 39.64 37.53 2qkk n ILE 215 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 2qkk h ASN 216 N 0.00 0.17 0.00 4.38 -0.00 -0.56 -1.02 115.58 118.55 2qkk h ASN 216 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 2qkk h ASN 216 Cb 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.46 2qkk h ASN 216 CO 0.00 -0.22 0.00 0.61 -0.00 0.00 0.00 177.43 177.82 2qkk n GLY 217 N -1.58 -1.23 0.38 1.57 0.00 0.21 -1.90 105.19 102.64 2qkk n GLY 217 Ca 0.41 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.68 2qkk n GLY 217 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qkk h ILE 218 N 0.00 0.36 0.18 -0.61 6.09 -0.60 -1.24 117.51 121.68 2qkk h ILE 218 Ca 0.00 -0.12 -0.32 0.00 -1.37 0.00 0.00 64.86 63.05 2qkk h ILE 218 Cb 0.00 -0.01 0.01 0.00 0.47 0.00 0.00 36.82 37.30 2qkk h ILE 218 CO 0.00 0.06 -1.54 0.71 -3.07 0.00 0.00 178.15 174.31 2qkk h THR 219 N 0.34 1.18 0.00 2.19 1.35 -1.37 -3.43 112.91 113.17 2qkk h THR 219 Ca 0.70 -2.73 -0.05 0.00 -0.55 0.00 0.00 66.41 63.78 2qkk h THR 219 Cb 1.73 2.87 -0.01 0.00 -1.73 0.00 0.00 68.15 71.02 2qkk h THR 219 CO -0.47 0.84 -0.78 -3.20 -0.25 0.00 0.00 175.52 171.65 2qkk n ASN 220 N -3.58 0.84 0.32 5.36 2.85 -1.05 -4.83 115.26 115.17 2qkk n ASN 220 Ca -0.18 0.12 -0.18 0.00 -0.11 0.00 0.00 54.58 54.24 2qkk n ASN 220 Cb 1.07 -0.30 -0.09 0.00 1.24 0.00 0.00 39.78 41.70 2qkk n ASN 220 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 2qkk h TRP 221 N -0.21 -1.32 -1.38 1.20 6.55 -0.52 -2.82 115.95 117.45 2qkk h TRP 221 Ca -0.08 0.00 0.42 0.00 0.95 0.00 0.00 58.89 60.19 2qkk h TRP 221 Cb 0.68 0.50 -0.10 0.00 -0.86 0.00 0.00 29.16 29.38 2qkk h TRP 221 CO -0.05 -0.66 0.93 -0.39 -1.05 0.00 0.00 178.44 177.22 2qkk h VAL 222 N -1.02 0.20 -0.82 1.49 -1.51 -1.71 0.38 116.25 113.26 2qkk h VAL 222 Ca -0.07 -0.03 0.20 0.00 -1.23 0.00 0.00 66.70 65.56 2qkk h VAL 222 Cb 0.86 0.09 -0.13 0.00 -2.13 0.00 0.00 31.29 29.98 2qkk h VAL 222 CO -0.01 0.02 0.20 1.56 -1.23 0.00 0.00 177.57 178.10 2qkk h GLN 223 N 0.10 0.23 0.07 5.19 4.20 -1.77 -1.05 115.11 122.08 2qkk h GLN 223 Ca 0.77 -0.01 -0.29 0.00 0.06 0.00 0.00 58.65 59.18 2qkk h GLN 223 Cb 2.61 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 30.32 2qkk h GLN 223 CO -0.27 0.15 -1.48 0.78 -0.67 0.00 0.00 178.83 177.34 2qkk h GLY 224 N 0.23 0.18 0.95 3.46 0.00 -0.39 -3.36 103.07 104.15 2qkk h GLY 224 Ca 0.49 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 47.38 2qkk h GLY 224 CO -0.60 0.41 0.64 1.49 0.00 0.00 0.00 176.54 178.48 2qkk h TRP 225 N 0.04 1.20 0.00 5.60 6.55 -0.76 0.22 115.95 128.80 2qkk h TRP 225 Ca -0.21 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.65 2qkk h TRP 225 Cb 1.97 -0.40 0.00 0.00 -0.86 0.00 0.00 29.16 29.87 2qkk h TRP 225 CO 0.04 0.71 0.00 0.36 -1.05 0.00 0.00 178.44 178.50 2qkk n LYS 226 N -4.42 0.92 0.00 0.49 2.85 -0.56 -0.03 118.16 117.40 2qkk n LYS 226 Ca 0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 2qkk n LYS 226 Cb 0.07 -1.27 0.00 0.00 -0.65 0.00 0.00 35.03 33.18 2qkk n LYS 226 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2qkk n LYS 227 N -0.77 4.97 -0.06 -1.58 5.02 0.17 -4.69 118.16 121.21 2qkk n LYS 227 Ca 0.12 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.44 2qkk n LYS 227 Cb 0.05 -0.53 0.06 0.00 -0.02 0.00 0.00 35.03 34.59 2qkk n LYS 227 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2qkk n ASN 228 N -0.95 2.13 -0.77 4.39 2.04 0.52 -4.98 115.26 117.64 2qkk n ASN 228 Ca 0.00 -1.71 -0.03 0.00 -0.44 0.00 0.00 54.58 52.40 2qkk n ASN 228 Cb 0.00 -0.08 0.01 0.00 -2.53 0.00 0.00 39.78 37.18 2qkk n ASN 228 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2qkk n GLY 229 N 0.18 0.69 3.84 4.83 0.00 -1.05 -4.36 105.19 109.31 2qkk n GLY 229 Ca 0.05 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 2qkk n GLY 229 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qkk n TRP 230 N -3.02 -1.90 0.00 1.61 7.02 0.96 -4.96 117.44 117.15 2qkk n TRP 230 Ca -0.00 0.63 0.00 0.00 -1.02 0.00 0.00 57.50 57.10 2qkk n TRP 230 Cb 0.51 -2.85 0.00 0.00 -2.42 0.00 0.00 31.31 26.55 2qkk n TRP 230 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2qkk n LYS 231 N -3.30 1.15 0.00 -0.99 5.02 -1.26 -2.65 118.16 116.13 2qkk n LYS 231 Ca -0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 2qkk n LYS 231 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.66 2qkk n LYS 231 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2qkk n THR 232 N 0.00 0.00 1.81 -0.18 5.66 -1.21 -3.58 114.28 116.79 2qkk n THR 232 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 2qkk n THR 232 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 2qkk n THR 232 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2qkk n SER 233 N 0.00 0.32 -0.48 1.09 7.64 -1.26 -3.14 113.62 117.79 2qkk n SER 233 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.90 2qkk n SER 233 Cb 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2qkk n SER 233 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qkk n ALA 234 N -0.34 1.95 0.00 -0.43 0.00 -1.26 -5.01 120.51 115.43 2qkk n ALA 234 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2qkk n ALA 234 Cb 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2qkk n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qkk n GLY 235 N 0.00 1.71 3.66 0.00 0.00 -1.19 -4.93 105.19 104.44 2qkk n GLY 235 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2qkk n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qkk s LYS 236 N 0.00 4.15 0.21 1.61 1.02 -1.26 -4.38 119.74 121.09 2qkk s LYS 236 Ca 0.00 2.52 -0.32 0.00 0.02 0.00 0.00 55.97 58.18 2qkk s LYS 236 Cb 0.00 -4.05 -0.14 0.00 -0.52 0.00 0.00 37.83 33.12 2qkk s LYS 236 CO 0.00 -0.91 1.49 0.39 -0.92 0.00 0.00 175.35 175.39 2qkk n GLU 237 N 7.21 2.10 -1.60 1.68 1.02 -1.26 -3.30 120.64 126.50 2qkk n GLU 237 Ca 0.19 0.75 -0.57 0.00 -0.02 0.00 0.00 57.16 57.52 2qkk n GLU 237 Cb 0.41 -2.47 -0.07 0.00 -0.02 0.00 0.00 31.44 29.29 2qkk n GLU 237 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2qkk n VAL 238 N 2.58 0.05 0.24 2.62 0.31 -1.08 -4.88 118.33 118.17 2qkk n VAL 238 Ca 0.14 -0.01 0.13 0.00 -0.01 0.00 0.00 64.34 64.59 2qkk n VAL 238 Cb 0.30 -0.61 0.44 0.00 -0.91 0.00 0.00 33.84 33.07 2qkk n VAL 238 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2qkk h ILE 239 N 3.71 0.17 -0.33 2.52 2.04 -1.93 -3.28 117.51 120.40 2qkk h ILE 239 Ca -0.48 -0.90 -0.21 0.00 1.00 0.00 0.00 64.86 64.28 2qkk h ILE 239 Cb 1.36 1.77 -0.14 0.00 -0.74 0.00 0.00 36.82 39.08 2qkk h ILE 239 CO 0.79 0.08 -0.32 0.59 0.00 0.00 0.00 178.15 179.29 2qkk n ASN 240 N -3.16 2.86 0.05 1.72 4.13 -1.26 -4.80 115.26 114.80 2qkk n ASN 240 Ca 0.02 -3.83 -0.11 0.00 1.68 0.00 0.00 54.58 52.33 2qkk n ASN 240 Cb 0.43 -0.56 -0.05 0.00 -1.54 0.00 0.00 39.78 38.06 2qkk n ASN 240 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2qkk h LYS 241 N 1.25 -0.41 -1.00 3.52 3.64 -1.96 -1.05 116.57 120.55 2qkk h LYS 241 Ca 0.19 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.80 2qkk h LYS 241 Cb 1.38 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 33.19 2qkk h LYS 241 CO 0.38 -0.28 0.61 1.49 -2.27 0.00 0.00 179.45 179.38 2qkk h GLU 242 N -0.43 0.71 0.02 1.90 4.81 -1.90 -0.54 114.58 119.15 2qkk h GLU 242 Ca 0.07 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2qkk h GLU 242 Cb 0.53 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2qkk h GLU 242 CO -0.26 0.47 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.04 2qkk h ASP 243 N 0.74 -0.02 -0.07 1.04 3.32 -1.75 -2.73 116.42 116.94 2qkk h ASP 243 Ca 0.59 -0.46 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 2qkk h ASP 243 Cb 0.95 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 2qkk h ASP 243 CO -0.39 0.45 -0.25 -0.26 -1.72 0.00 0.00 179.24 177.07 2qkk h PHE 244 N -0.51 0.57 -0.22 4.55 0.04 -0.70 -2.45 116.94 118.22 2qkk h PHE 244 Ca -0.00 -0.12 -0.11 0.00 2.80 0.00 0.00 57.97 60.54 2qkk h PHE 244 Cb 0.48 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 2qkk h PHE 244 CO 0.09 0.72 -0.27 0.28 -0.60 0.00 0.00 178.31 178.52 2qkk h VAL 245 N 0.45 1.32 -1.00 -0.55 2.07 -1.20 0.29 116.25 117.63 2qkk h VAL 245 Ca 0.06 -1.46 0.21 0.00 0.82 0.00 0.00 66.70 66.33 2qkk h VAL 245 Cb 0.68 1.75 -0.11 0.00 -1.52 0.00 0.00 31.29 32.09 2qkk h VAL 245 CO 0.05 0.45 0.61 0.00 0.02 0.00 0.00 177.57 178.70 2qkk h ALA 246 N 0.65 1.75 0.24 1.67 0.00 -1.32 -1.48 119.26 120.77 2qkk h ALA 246 Ca 0.03 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qkk h ALA 246 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qkk h ALA 246 CO 0.06 -0.15 -0.12 1.25 0.00 0.00 0.00 179.25 180.30 2qkk h LEU 247 N 0.69 -0.28 -0.74 0.00 5.85 -1.27 -3.33 115.31 116.23 2qkk h LEU 247 Ca 0.59 0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.44 2qkk h LEU 247 Cb 1.02 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 42.00 2qkk h LEU 247 CO -0.39 0.18 -0.28 1.21 -0.34 0.00 0.00 178.44 178.82 2qkk n GLU 248 N -4.99 -0.17 -0.13 1.25 4.07 0.08 0.29 120.64 121.03 2qkk n GLU 248 Ca -0.04 1.14 -0.04 0.00 -0.06 0.00 0.00 57.16 58.16 2qkk n GLU 248 Cb 0.13 -1.70 0.04 0.00 -0.06 0.00 0.00 31.44 29.85 2qkk n GLU 248 CO 0.00 0.00 0.00 0.07 -0.06 0.00 0.00 177.13 177.14 2qkk h ARG 249 N 0.00 0.27 -0.76 5.31 0.11 -1.44 -1.60 114.38 116.27 2qkk h ARG 249 Ca 0.26 -0.02 0.09 0.00 0.10 0.00 0.00 59.98 60.42 2qkk h ARG 249 Cb 0.45 -0.06 -0.07 0.00 1.11 0.00 0.00 29.97 31.40 2qkk h ARG 249 CO -0.74 0.18 0.41 -0.07 0.10 0.00 0.00 179.97 179.85 2qkk h LEU 250 N 0.28 0.57 -1.22 0.08 3.38 -0.27 0.17 115.31 118.30 2qkk h LEU 250 Ca 0.21 0.05 0.29 0.00 0.09 0.00 0.00 57.88 58.52 2qkk h LEU 250 Cb 0.22 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 2qkk h LEU 250 CO -0.23 0.32 0.66 0.74 0.09 0.00 0.00 178.44 180.02 2qkk h THR 251 N 0.69 0.45 -1.92 0.22 2.02 -0.61 -3.41 112.91 110.35 2qkk h THR 251 Ca 0.37 -0.14 -0.64 0.00 0.77 0.00 0.00 66.41 66.77 2qkk h THR 251 Cb 0.36 0.01 0.05 0.00 -1.74 0.00 0.00 68.15 66.83 2qkk h THR 251 CO -0.25 0.07 0.70 0.00 0.37 0.00 0.00 175.52 176.40 2qkk n GLN 252 N -4.76 1.62 -3.02 6.66 3.00 0.05 -1.32 117.38 119.60 2qkk n GLN 252 Ca 0.28 0.59 -0.11 0.00 -0.01 0.00 0.00 57.00 57.74 2qkk n GLN 252 Cb 0.92 -2.30 0.04 0.00 0.00 0.00 0.00 30.24 28.90 2qkk n GLN 252 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qkk n GLY 253 N 3.23 0.24 3.26 1.08 0.00 -1.26 -5.04 105.19 106.70 2qkk n GLY 253 Ca 0.19 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2qkk n GLY 253 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qkk s MET 254 N -5.62 0.77 -0.52 1.61 -1.94 -0.44 -4.96 119.30 108.21 2qkk s MET 254 Ca 0.28 -0.38 0.04 0.00 -1.71 0.00 0.00 55.69 53.92 2qkk s MET 254 Cb -0.12 0.34 0.13 0.00 2.01 0.00 0.00 34.83 37.19 2qkk s MET 254 CO 0.35 -0.24 0.26 0.34 -0.01 0.00 0.00 175.02 175.72 2qkk s ASP 255 N -1.79 4.29 -0.36 3.03 2.15 -0.53 -5.02 116.67 118.43 2qkk s ASP 255 Ca -0.08 -3.00 -0.13 0.00 0.43 0.00 0.00 52.55 49.77 2qkk s ASP 255 Cb -0.02 -1.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.98 2qkk s ASP 255 CO -0.00 -0.23 0.24 -0.63 -0.17 0.00 0.00 175.17 174.37 2qkk s ILE 256 N -0.27 5.02 -0.74 4.11 -1.09 -1.26 -2.15 121.20 124.83 2qkk s ILE 256 Ca 0.17 -0.51 -0.23 0.00 -2.23 0.00 0.00 60.65 57.85 2qkk s ILE 256 Cb -0.26 -3.69 0.07 0.00 -1.58 0.00 0.00 42.46 37.00 2qkk s ILE 256 CO -0.00 -0.13 1.08 -1.10 -1.23 0.00 0.00 174.94 173.56 2qkk s GLN 257 N 1.66 3.23 -0.38 2.79 -1.52 -0.60 -4.91 119.66 119.92 2qkk s GLN 257 Ca 0.05 -0.87 -0.29 0.00 -1.95 0.00 0.00 55.36 52.30 2qkk s GLN 257 Cb -0.18 -4.40 0.00 0.00 -0.22 0.00 0.00 33.01 28.21 2qkk s GLN 257 CO 0.09 -1.90 1.52 -1.58 -0.25 0.00 0.00 175.29 173.17 2qkk s TRP 258 N 4.25 2.23 -0.07 0.91 0.52 -1.26 -1.03 118.94 124.49 2qkk s TRP 258 Ca 0.28 0.66 0.01 0.00 0.02 0.00 0.00 56.10 57.07 2qkk s TRP 258 Cb -0.12 -4.24 -0.03 0.00 -1.15 0.00 0.00 33.47 27.93 2qkk s TRP 258 CO 0.07 -2.28 -0.09 1.41 0.02 0.00 0.00 176.95 176.07 2qkk s MET 259 N 5.10 2.77 -0.00 4.98 1.75 -0.60 -4.94 119.30 128.36 2qkk s MET 259 Ca 0.67 -0.60 0.01 0.00 -1.25 0.00 0.00 55.69 54.52 2qkk s MET 259 Cb -0.17 -2.55 -0.04 0.00 2.84 0.00 0.00 34.83 34.92 2qkk s MET 259 CO 0.33 0.60 0.02 -1.58 -0.65 0.00 0.00 175.02 173.74 2qkk s HIS 260 N -0.65 3.13 0.04 4.11 2.46 -1.26 -1.98 115.29 121.14 2qkk s HIS 260 Ca 0.10 0.11 0.02 0.00 0.47 0.00 0.00 55.06 55.76 2qkk s HIS 260 Cb -0.11 -1.69 -0.02 0.00 -0.13 0.00 0.00 32.58 30.63 2qkk s HIS 260 CO 0.01 0.49 -0.07 0.14 -2.47 0.00 0.00 174.74 172.84 2qkk s VAL 261 N -1.12 0.50 0.66 0.89 -7.23 -1.17 -4.91 120.40 108.02 2qkk s VAL 261 Ca 0.20 -0.98 -0.14 0.00 -1.81 0.00 0.00 61.98 59.26 2qkk s VAL 261 Cb -0.12 -0.56 -0.00 0.00 0.56 0.00 0.00 36.38 36.26 2qkk s VAL 261 CO 0.11 -0.34 1.08 -2.84 -0.31 0.00 0.00 175.10 172.80 2qkk s PRO 262 N -1.42 2.94 0.36 4.82 0.02 -1.26 -3.99 135.00 136.47 2qkk s PRO 262 Ca -0.09 1.19 0.07 0.00 0.02 0.00 0.00 61.00 62.18 2qkk s PRO 262 Cb -0.09 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 2qkk s PRO 262 CO 0.00 -1.11 0.48 0.20 -0.33 0.00 0.00 177.00 176.24 2qkk s GLY 263 N -3.06 1.71 -0.30 0.52 0.00 -1.26 -4.05 107.32 100.87 2qkk s GLY 263 Ca 0.63 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2qkk s GLY 263 CO 0.45 -1.43 0.00 1.42 0.00 0.00 0.00 173.10 173.54 2qkk n HIS 264 N -1.67 -0.10 0.00 1.90 8.25 -1.26 -4.82 115.22 117.52 2qkk n HIS 264 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2qkk n HIS 264 Cb 0.58 -1.61 0.00 0.00 1.12 0.00 0.00 29.99 30.09 2qkk n HIS 264 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2qkk n SER 265 N 0.46 0.00 0.00 0.41 3.41 -1.26 -5.05 113.62 111.59 2qkk n SER 265 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2qkk n SER 265 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2qkk n SER 265 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qkk n GLY 266 N 2.54 1.00 3.70 5.00 0.00 -1.26 -5.11 105.19 111.05 2qkk n GLY 266 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2qkk n GLY 266 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qkk s PHE 267 N 0.00 3.41 0.01 1.61 5.99 -1.26 -5.00 117.98 122.74 2qkk s PHE 267 Ca 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 56.93 57.47 2qkk s PHE 267 Cb 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 43.02 40.60 2qkk s PHE 267 CO 0.00 0.12 0.58 0.44 -0.00 0.00 0.00 175.22 176.35 2qkk n ILE 268 N 3.97 -0.06 0.00 3.12 -0.00 -1.26 -2.66 119.36 122.47 2qkk n ILE 268 Ca -0.11 0.87 0.00 0.00 -0.00 0.00 0.00 62.75 63.52 2qkk n ILE 268 Cb 0.52 -1.14 0.00 0.00 -0.00 0.00 0.00 39.64 39.01 2qkk n ILE 268 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2qkk n GLY 269 N -1.02 0.00 0.24 3.28 0.00 -1.26 0.25 105.19 106.68 2qkk n GLY 269 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2qkk n GLY 269 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2qkk h ASN 270 N 0.00 -0.49 -0.96 1.61 -0.73 -1.89 -1.17 115.58 111.96 2qkk h ASN 270 Ca 0.00 0.03 0.12 0.00 1.87 0.00 0.00 56.30 58.32 2qkk h ASN 270 Cb 0.00 0.14 -0.14 0.00 0.27 0.00 0.00 38.32 38.59 2qkk h ASN 270 CO 0.00 -0.32 -0.45 -0.62 -0.37 0.00 0.00 177.43 175.67 2qkk n GLU 271 N -5.33 -0.30 -0.28 6.67 1.02 0.70 0.11 120.64 123.23 2qkk n GLU 271 Ca -0.10 1.46 -0.06 0.00 -0.02 0.00 0.00 57.16 58.44 2qkk n GLU 271 Cb 0.24 -2.16 0.06 0.00 -0.02 0.00 0.00 31.44 29.55 2qkk n GLU 271 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2qkk h GLU 272 N 0.00 1.15 -0.28 3.49 4.39 -0.65 0.11 114.58 122.79 2qkk h GLU 272 Ca 0.26 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2qkk h GLU 272 Cb 0.50 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2qkk h GLU 272 CO -0.93 0.94 0.14 0.00 -1.16 0.00 0.00 179.01 178.00 2qkk h ALA 273 N 1.15 0.36 -0.28 3.43 0.00 0.85 -1.59 119.26 123.19 2qkk h ALA 273 Ca 0.25 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2qkk h ALA 273 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2qkk h ALA 273 CO -0.02 -0.08 0.17 0.22 0.00 0.00 0.00 179.25 179.55 2qkk h ASP 274 N 0.32 0.29 -0.90 0.00 3.58 0.10 0.91 116.42 120.73 2qkk h ASP 274 Ca 0.10 -0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.62 2qkk h ASP 274 Cb 0.12 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.03 2qkk h ASP 274 CO -0.01 0.21 0.56 -0.09 -2.88 0.00 0.00 179.24 177.03 2qkk h ARG 275 N 0.36 0.95 -0.20 0.28 2.43 -0.57 -1.00 114.38 116.63 2qkk h ARG 275 Ca 0.11 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 2qkk h ARG 275 Cb -0.02 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.31 2qkk h ARG 275 CO -0.04 0.63 -0.29 -0.07 -1.51 0.00 0.00 179.97 178.69 2qkk h LEU 276 N 0.97 0.59 -0.63 3.80 3.38 -0.82 -2.42 115.31 120.17 2qkk h LEU 276 Ca 0.41 -0.52 0.08 0.00 0.09 0.00 0.00 57.88 57.94 2qkk h LEU 276 Cb 0.26 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 2qkk h LEU 276 CO -0.20 0.99 0.29 0.00 0.09 0.00 0.00 178.44 179.61 2qkk h ALA 277 N 0.61 0.84 -0.70 1.53 0.00 -0.24 -0.86 119.26 120.44 2qkk h ALA 277 Ca 0.02 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2qkk h ALA 277 Cb 0.86 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2qkk h ALA 277 CO 0.07 -0.10 0.17 0.00 0.00 0.00 0.00 179.25 179.38 2qkk h ARG 278 N 0.52 1.13 0.00 0.00 3.08 -1.19 0.50 114.38 118.42 2qkk h ARG 278 Ca 0.31 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2qkk h ARG 278 Cb 0.31 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2qkk h ARG 278 CO -0.26 1.00 0.00 0.39 -1.07 0.00 0.00 179.97 180.03 2qkk n GLU 279 N -4.23 0.23 0.00 0.04 -0.58 -0.37 -0.79 120.64 114.95 2qkk n GLU 279 Ca 0.05 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.92 2qkk n GLU 279 Cb 0.26 -1.12 0.30 0.00 -0.57 0.00 0.00 31.44 30.32 2qkk n GLU 279 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qkk n GLY 280 N -0.33 -0.96 3.31 0.62 0.00 0.18 -4.80 105.19 103.20 2qkk n GLY 280 Ca 0.01 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2qkk n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkk s ALA 281 N -2.77 1.94 0.00 4.61 0.00 0.03 -3.72 121.76 121.84 2qkk s ALA 281 Ca 0.17 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2qkk s ALA 281 Cb 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2qkk s ALA 281 CO 0.62 0.36 0.00 1.63 0.00 0.00 0.00 175.76 178.37