#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkt n ASP 164 N 0.00 4.18 0.15 1.62 2.03 -1.26 -4.56 116.55 118.71 3kkt n ASP 164 Ca 0.00 -0.01 -0.00 0.00 0.52 0.00 0.00 54.79 55.29 3kkt n ASP 164 Cb 0.00 1.14 0.23 0.00 -0.72 0.00 0.00 41.12 41.77 3kkt n ASP 164 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 3kkt h HIS 165 N 0.00 0.00 -0.60 -0.67 3.86 -2.01 -3.03 115.15 112.71 3kkt h HIS 165 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kkt h HIS 165 Cb 0.14 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 3kkt h HIS 165 CO 0.00 0.54 0.38 1.25 0.86 0.00 0.00 177.93 180.96 3kkt h LEU 166 N 0.00 0.70 -0.60 2.43 5.85 -1.85 -2.74 115.31 119.10 3kkt h LEU 166 Ca -0.01 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3kkt h LEU 166 Cb 0.96 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 3kkt h LEU 166 CO 0.07 0.52 0.37 0.00 -0.34 0.00 0.00 178.44 179.07 3kkt h ALA 167 N 1.20 0.77 -0.46 1.25 0.00 -1.78 -1.51 119.26 118.74 3kkt h ALA 167 Ca 0.22 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3kkt h ALA 167 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3kkt h ALA 167 CO -0.04 0.13 -0.10 -0.22 0.00 0.00 0.00 179.25 179.01 3kkt h LYS 168 N 0.75 0.83 -0.15 0.00 3.64 -1.50 -2.93 116.57 117.20 3kkt h LYS 168 Ca 0.23 -0.28 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 3kkt h LYS 168 Cb -0.01 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3kkt h LYS 168 CO -0.09 0.90 -0.53 1.49 -2.27 0.00 0.00 179.45 178.96 3kkt h GLU 169 N 0.75 0.44 0.00 1.90 4.57 -1.21 -2.86 114.58 118.18 3kkt h GLU 169 Ca 0.13 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3kkt h GLU 169 Cb 0.60 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 3kkt h GLU 169 CO 0.04 0.86 0.00 1.28 -1.18 0.00 0.00 179.01 180.01 3kkt n LEU 170 N -3.95 0.00 0.19 1.64 4.77 -0.59 -2.50 117.00 116.56 3kkt n LEU 170 Ca -0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.03 3kkt n LEU 170 Cb 0.58 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 42.00 3kkt n LEU 170 CO 0.46 0.00 0.70 -0.33 -1.33 0.00 0.00 177.39 176.88 3kkt h GLU 171 N 0.00 0.00 -0.49 3.23 5.08 -1.48 -2.98 114.58 117.94 3kkt h GLU 171 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kkt h GLU 171 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kkt h GLU 171 CO 0.00 0.32 0.00 -0.25 -1.00 0.00 0.00 179.01 178.08 3kkt n ASP 172 N -3.40 2.25 -0.18 1.42 10.43 -1.04 -4.57 116.55 121.46 3kkt n ASP 172 Ca 0.00 -2.14 -0.04 0.00 2.57 0.00 0.00 54.79 55.19 3kkt n ASP 172 Cb 0.52 -0.34 0.03 0.00 1.84 0.00 0.00 41.12 43.16 3kkt n ASP 172 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3kkt h LEU 173 N 1.94 -0.83 -0.16 0.64 5.85 -1.73 0.68 115.31 121.70 3kkt h LEU 173 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3kkt h LEU 173 Cb 0.69 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3kkt h LEU 173 CO 0.07 -0.26 0.00 0.59 -0.34 0.00 0.00 178.44 178.51 3kkt n ASN 174 N -5.42 0.20 -4.60 1.25 3.02 -1.26 -4.80 115.26 103.63 3kkt n ASN 174 Ca 0.05 -2.00 -0.30 0.00 -0.03 0.00 0.00 54.58 52.29 3kkt n ASN 174 Cb 0.33 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.36 3kkt n ASN 174 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kkt s LYS 175 N -1.90 2.29 0.29 3.52 1.02 0.23 -4.83 119.74 120.35 3kkt s LYS 175 Ca 0.01 -0.93 0.06 0.00 0.02 0.00 0.00 55.97 55.13 3kkt s LYS 175 Cb 0.01 -2.39 0.42 0.00 -0.52 0.00 0.00 37.83 35.35 3kkt s LYS 175 CO 0.01 0.53 1.68 2.35 -0.92 0.00 0.00 175.35 179.00 3kkt h TRP 176 N 3.72 0.32 0.00 3.18 2.91 -1.89 -3.15 115.95 121.04 3kkt h TRP 176 Ca -0.48 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 59.45 3kkt h TRP 176 Cb 1.17 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 3kkt h TRP 176 CO 0.60 0.65 0.00 0.41 -1.03 0.00 0.00 178.44 179.07 3kkt n GLY 177 N -0.15 -0.85 3.70 2.65 0.00 -1.26 -4.87 105.19 104.41 3kkt n GLY 177 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3kkt n GLY 177 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kkt s LEU 178 N -0.97 4.37 -0.91 0.99 2.96 -1.19 -4.95 118.68 118.98 3kkt s LEU 178 Ca 0.00 2.59 -0.18 0.00 -0.22 0.00 0.00 54.13 56.32 3kkt s LEU 178 Cb 0.00 -3.58 0.15 0.00 0.50 0.00 0.00 46.19 43.26 3kkt s LEU 178 CO 0.00 -0.89 1.07 0.21 -1.32 0.00 0.00 176.35 175.42 3kkt s ASN 179 N 1.98 6.65 0.52 3.68 3.84 -1.26 -4.89 114.94 125.46 3kkt s ASN 179 Ca 0.74 -2.15 0.22 0.00 0.21 0.00 0.00 52.86 51.88 3kkt s ASN 179 Cb -0.43 -2.37 1.38 0.00 -0.55 0.00 0.00 41.25 39.29 3kkt s ASN 179 CO 0.33 -0.98 2.11 -0.29 -2.79 0.00 0.00 177.10 175.48 3kkt h ILE 180 N 5.66 0.81 -0.36 -5.21 6.09 -1.98 -1.89 117.51 120.64 3kkt h ILE 180 Ca 0.15 -0.31 -0.05 0.00 -1.37 0.00 0.00 64.86 63.28 3kkt h ILE 180 Cb 1.03 1.18 -0.02 0.00 0.47 0.00 0.00 36.82 39.48 3kkt h ILE 180 CO 1.05 0.08 0.02 -0.26 -3.07 0.00 0.00 178.15 175.97 3kkt h PHE 181 N 0.00 0.56 -0.20 2.19 0.04 -1.97 -0.70 116.94 116.86 3kkt h PHE 181 Ca -0.00 -0.05 -0.12 0.00 2.80 0.00 0.00 57.97 60.60 3kkt h PHE 181 Cb 0.17 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3kkt h PHE 181 CO 0.00 0.54 -0.35 -0.91 -0.60 0.00 0.00 178.31 176.99 3kkt h ASN 182 N 0.53 0.65 0.25 2.17 2.35 -1.77 -3.10 115.58 116.67 3kkt h ASN 182 Ca 0.12 -0.54 -0.04 0.00 -0.55 0.00 0.00 56.30 55.28 3kkt h ASN 182 Cb 0.31 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3kkt h ASN 182 CO 0.01 1.06 -0.21 1.62 -1.65 0.00 0.00 177.43 178.26 3kkt h VAL 183 N 0.26 1.07 -0.17 2.81 3.04 -1.44 -2.62 116.25 119.20 3kkt h VAL 183 Ca 0.01 -0.74 0.03 0.00 -1.01 0.00 0.00 66.70 65.00 3kkt h VAL 183 Cb 0.94 1.41 -0.03 0.00 -2.01 0.00 0.00 31.29 31.60 3kkt h VAL 183 CO 0.08 0.21 -0.05 0.00 -1.01 0.00 0.00 177.57 176.80 3kkt h ALA 184 N 1.79 0.10 -0.32 3.17 0.00 -1.05 0.15 119.26 123.10 3kkt h ALA 184 Ca -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kkt h ALA 184 Cb 0.39 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3kkt h ALA 184 CO 0.03 -0.48 0.12 0.78 0.00 0.00 0.00 179.25 179.69 3kkt h GLY 185 N -0.01 0.48 -1.67 0.00 0.00 -1.42 -2.81 103.07 97.64 3kkt h GLY 185 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3kkt h GLY 185 CO -0.17 0.21 0.00 -1.72 0.00 0.00 0.00 176.54 174.86 3kkt n TYR 186 N -4.40 0.07 0.09 5.60 4.01 -1.07 -4.04 117.16 117.42 3kkt n TYR 186 Ca 0.02 -0.04 0.10 0.00 -0.16 0.00 0.00 57.90 57.82 3kkt n TYR 186 Cb 0.14 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.44 3kkt n TYR 186 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3kkt n SER 187 N 1.12 3.28 -3.14 7.72 3.41 0.02 -4.31 113.62 121.71 3kkt n SER 187 Ca 0.16 -1.99 -0.19 0.00 -0.26 0.00 0.00 58.87 56.58 3kkt n SER 187 Cb 0.55 -0.39 0.07 0.00 -0.26 0.00 0.00 64.21 64.17 3kkt n SER 187 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3kkt n HIS 188 N 1.30 -2.37 -3.54 7.33 -0.00 -1.25 -2.99 115.22 113.70 3kkt n HIS 188 Ca 0.20 0.86 -0.22 0.00 0.46 0.00 0.00 57.72 59.03 3kkt n HIS 188 Cb 0.52 -4.50 0.08 0.00 -0.12 0.00 0.00 29.99 25.97 3kkt n HIS 188 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 3kkt n ASN 189 N -2.46 -5.22 -2.75 0.26 2.85 -1.18 -4.95 115.26 101.81 3kkt n ASN 189 Ca -0.04 -0.56 -0.09 0.00 -0.11 0.00 0.00 54.58 53.78 3kkt n ASN 189 Cb 0.57 -5.02 0.06 0.00 1.24 0.00 0.00 39.78 36.63 3kkt n ASN 189 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3kkt n ARG 190 N -4.75 1.13 0.19 1.20 3.00 -1.16 -5.02 116.66 111.24 3kkt n ARG 190 Ca -0.07 -2.63 0.06 0.00 -0.00 0.00 0.00 57.85 55.21 3kkt n ARG 190 Cb 0.59 -0.86 0.32 0.00 0.00 0.00 0.00 32.46 32.50 3kkt n ARG 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3kkt h PRO 191 N 2.65 0.00 0.01 -0.14 0.13 -1.85 -3.01 132.00 129.80 3kkt h PRO 191 Ca -0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3kkt h PRO 191 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kkt h PRO 191 CO 0.26 0.37 -0.00 1.25 -0.23 0.00 0.00 178.00 179.65 3kkt h LEU 192 N 0.00 -0.01 -0.53 1.56 5.85 -1.94 -0.08 115.31 120.15 3kkt h LEU 192 Ca -0.00 -0.52 0.05 0.00 0.84 0.00 0.00 57.88 58.25 3kkt h LEU 192 Cb 0.93 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 3kkt h LEU 192 CO 0.05 0.51 0.25 0.74 -0.34 0.00 0.00 178.44 179.66 3kkt h THR 193 N -0.54 0.92 0.46 1.05 2.02 -1.84 0.83 112.91 115.81 3kkt h THR 193 Ca -0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3kkt h THR 193 Cb 0.53 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3kkt h THR 193 CO 0.00 0.09 -0.50 0.00 0.37 0.00 0.00 175.52 175.48 3kkt h ILE 195 N -0.97 1.22 -0.47 0.00 6.09 -0.84 -1.78 117.51 120.77 3kkt h ILE 195 Ca -0.05 -0.95 -0.12 0.00 -1.37 0.00 0.00 64.86 62.37 3kkt h ILE 195 Cb 0.85 1.10 -0.02 0.00 0.47 0.00 0.00 36.82 39.23 3kkt h ILE 195 CO -0.08 0.31 -0.18 0.24 -3.07 0.00 0.00 178.15 175.37 3kkt h MET 196 N 0.46 0.91 -0.66 2.19 2.86 -0.64 0.11 114.93 120.15 3kkt h MET 196 Ca 0.09 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.31 3kkt h MET 196 Cb 0.45 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3kkt h MET 196 CO 0.02 1.01 0.19 -0.92 1.06 0.00 0.00 176.91 178.27 3kkt h TYR 197 N 0.80 1.08 0.09 -0.22 3.20 -0.55 -1.41 116.97 119.96 3kkt h TYR 197 Ca 0.12 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3kkt h TYR 197 Cb 0.72 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.68 3kkt h TYR 197 CO 0.04 0.88 -0.04 0.00 -1.64 0.00 0.00 178.16 177.40 3kkt h ALA 198 N 1.07 -0.12 -0.29 1.82 0.00 -1.03 -2.78 119.26 117.93 3kkt h ALA 198 Ca 0.21 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3kkt h ALA 198 Cb 0.33 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3kkt h ALA 198 CO -0.00 -0.52 0.12 0.82 0.00 0.00 0.00 179.25 179.67 3kkt h ILE 199 N -0.23 0.95 0.00 0.00 2.04 -0.71 -1.94 117.51 117.62 3kkt h ILE 199 Ca -0.01 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 3kkt h ILE 199 Cb 0.19 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3kkt h ILE 199 CO 0.02 0.05 -0.18 -0.26 0.00 0.00 0.00 178.15 177.78 3kkt h PHE 200 N 0.26 0.00 0.16 1.37 -1.00 -1.26 -2.39 116.94 114.07 3kkt h PHE 200 Ca 0.13 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.68 3kkt h PHE 200 Cb 0.08 0.00 0.03 0.00 3.61 0.00 0.00 35.95 39.66 3kkt h PHE 200 CO -0.12 0.18 -0.99 1.96 -1.61 0.00 0.00 178.31 177.74 3kkt h GLN 201 N 0.00 0.39 0.00 1.51 4.20 -1.28 0.69 115.11 120.62 3kkt h GLN 201 Ca -0.00 -0.63 -0.00 0.00 0.06 0.00 0.00 58.65 58.08 3kkt h GLN 201 Cb 0.36 0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 3kkt h GLN 201 CO 0.02 1.29 -0.00 1.49 -0.67 0.00 0.00 178.83 180.96 3kkt h GLU 202 N -0.18 0.00 -0.06 1.46 4.57 -1.08 -2.21 114.58 117.09 3kkt h GLU 202 Ca -0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3kkt h GLU 202 Cb 1.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.35 3kkt h GLU 202 CO 0.19 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.56 3kkt n ARG 203 N -3.10 0.67 -2.22 1.92 1.74 -0.92 -5.00 116.66 109.75 3kkt n ARG 203 Ca -0.03 -1.16 -0.20 0.00 -0.77 0.00 0.00 57.85 55.70 3kkt n ARG 203 Cb 0.10 -1.16 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 3kkt n ARG 203 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kkt n ASP 204 N 0.39 -5.66 0.02 0.55 10.43 -0.83 -4.90 116.55 116.55 3kkt n ASP 204 Ca 0.05 0.11 -0.05 0.00 2.57 0.00 0.00 54.79 57.48 3kkt n ASP 204 Cb 0.23 -4.78 0.16 0.00 1.84 0.00 0.00 41.12 38.58 3kkt n ASP 204 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3kkt h LEU 205 N 0.00 0.49 -0.47 0.64 3.38 -1.16 -1.63 115.31 116.56 3kkt h LEU 205 Ca -0.46 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 3kkt h LEU 205 Cb 1.35 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3kkt h LEU 205 CO 0.57 0.81 0.21 -0.07 0.09 0.00 0.00 178.44 180.05 3kkt h LEU 206 N 0.41 0.63 0.00 1.67 3.38 -1.84 -1.15 115.31 118.40 3kkt h LEU 206 Ca 0.05 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3kkt h LEU 206 Cb 0.80 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3kkt h LEU 206 CO 0.06 0.59 -0.48 0.11 0.09 0.00 0.00 178.44 178.82 3kkt h LYS 207 N 0.62 0.00 -0.03 1.13 1.57 -1.78 0.37 116.57 118.45 3kkt h LYS 207 Ca 0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3kkt h LYS 207 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3kkt h LYS 207 CO -0.02 0.43 -0.05 1.15 -0.57 0.00 0.00 179.45 180.39 3kkt h THR 208 N 0.00 1.43 -0.53 -0.16 2.02 -1.15 -3.33 112.91 111.19 3kkt h THR 208 Ca -0.01 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 3kkt h THR 208 Cb 1.35 2.26 -0.01 0.00 -1.74 0.00 0.00 68.15 70.00 3kkt h THR 208 CO 0.06 0.36 0.03 0.49 0.37 0.00 0.00 175.52 176.82 3kkt n PHE 209 N -4.74 1.90 -3.73 3.16 3.72 -0.45 -4.95 117.46 112.37 3kkt n PHE 209 Ca -0.08 -0.82 -0.24 0.00 -0.05 0.00 0.00 57.45 56.26 3kkt n PHE 209 Cb 0.31 -0.50 0.04 0.00 -0.94 0.00 0.00 39.48 38.40 3kkt n PHE 209 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3kkt n ARG 210 N 0.30 -5.47 -3.70 -1.08 1.74 -0.83 -4.62 116.66 103.00 3kkt n ARG 210 Ca 0.28 0.65 -0.38 0.00 -0.77 0.00 0.00 57.85 57.63 3kkt n ARG 210 Cb 1.16 -5.38 -0.12 0.00 -1.02 0.00 0.00 32.46 27.10 3kkt n ARG 210 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kkt s ILE 211 N -3.51 4.39 0.69 0.55 1.01 0.12 -4.74 121.20 119.71 3kkt s ILE 211 Ca 0.24 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.33 3kkt s ILE 211 Cb -0.11 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3kkt s ILE 211 CO 0.80 0.11 1.06 -0.94 0.00 0.00 0.00 174.94 175.98 3kkt s SER 212 N 1.58 5.44 0.26 3.58 1.04 -1.26 -4.53 113.70 119.81 3kkt s SER 212 Ca 0.04 1.60 -0.01 0.00 0.48 0.00 0.00 55.95 58.06 3kkt s SER 212 Cb -0.17 -2.49 0.51 0.00 0.10 0.00 0.00 66.02 63.98 3kkt s SER 212 CO 0.05 -1.41 1.77 0.28 0.98 0.00 0.00 173.24 174.92 3kkt h SER 213 N -0.69 0.58 0.48 7.02 0.02 -1.98 -2.66 113.55 116.31 3kkt h SER 213 Ca -0.44 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 3kkt h SER 213 Cb 1.21 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 3kkt h SER 213 CO 0.57 0.26 -0.49 0.44 -1.14 0.00 0.00 176.83 176.48 3kkt h ASP 214 N 0.67 -1.35 -0.50 3.07 3.32 -1.96 -1.29 116.42 118.39 3kkt h ASP 214 Ca 0.45 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.62 3kkt h ASP 214 Cb 0.60 0.45 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3kkt h ASP 214 CO -0.34 -0.65 0.32 0.74 -1.72 0.00 0.00 179.24 177.60 3kkt h THR 215 N -0.97 1.11 0.56 0.35 2.02 -1.73 -1.85 112.91 112.41 3kkt h THR 215 Ca -0.06 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 3kkt h THR 215 Cb 0.85 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3kkt h THR 215 CO -0.07 0.12 -0.27 0.15 0.37 0.00 0.00 175.52 175.82 3kkt h PHE 216 N 0.66 -0.70 -0.28 3.16 3.57 -1.36 -0.48 116.94 121.50 3kkt h PHE 216 Ca 0.19 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.72 3kkt h PHE 216 Cb -0.06 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 3kkt h PHE 216 CO -0.05 -0.37 -0.05 0.82 -2.23 0.00 0.00 178.31 176.43 3kkt h ILE 217 N -0.96 0.74 -0.44 1.41 1.08 -1.27 -0.06 117.51 118.01 3kkt h ILE 217 Ca -0.08 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.45 3kkt h ILE 217 Cb 0.64 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 35.06 3kkt h ILE 217 CO 0.13 0.00 0.14 0.74 -0.69 0.00 0.00 178.15 178.47 3kkt h THR 218 N 0.02 0.84 0.06 -0.27 2.02 -1.30 0.27 112.91 114.55 3kkt h THR 218 Ca 0.13 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3kkt h THR 218 Cb 0.20 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3kkt h THR 218 CO -0.27 0.05 -0.03 0.22 0.37 0.00 0.00 175.52 175.86 3kkt h TYR 219 N 0.30 -0.08 -0.87 3.16 3.20 -0.70 -1.27 116.97 120.70 3kkt h TYR 219 Ca 0.21 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.10 3kkt h TYR 219 Cb 0.22 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 3kkt h TYR 219 CO -0.17 0.02 0.57 0.52 -1.64 0.00 0.00 178.16 177.47 3kkt h MET 220 N -0.16 1.11 -0.69 1.82 2.86 -0.60 0.36 114.93 119.63 3kkt h MET 220 Ca -0.01 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 3kkt h MET 220 Cb 0.14 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3kkt h MET 220 CO 0.01 0.73 0.31 0.52 1.06 0.00 0.00 176.91 179.55 3kkt h MET 221 N 1.14 1.01 -0.08 1.72 2.86 -0.41 0.17 114.93 121.34 3kkt h MET 221 Ca 0.33 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 3kkt h MET 221 Cb -0.07 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.41 3kkt h MET 221 CO -0.09 0.81 0.00 1.15 1.06 0.00 0.00 176.91 179.84 3kkt h THR 222 N 0.97 1.24 0.20 2.22 2.02 -0.55 -2.19 112.91 116.82 3kkt h THR 222 Ca 0.24 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3kkt h THR 222 Cb 0.15 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3kkt h THR 222 CO -0.03 0.21 -0.10 0.25 0.37 0.00 0.00 175.52 176.22 3kkt h LEU 223 N -0.13 -0.23 -1.57 2.58 5.85 -0.20 -2.73 115.31 118.88 3kkt h LEU 223 Ca 0.02 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3kkt h LEU 223 Cb 0.32 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3kkt h LEU 223 CO 0.00 -0.16 0.36 -0.08 -0.34 0.00 0.00 178.44 178.23 3kkt h GLU 224 N -0.28 0.52 0.00 1.25 4.81 -0.69 0.78 114.58 120.97 3kkt h GLU 224 Ca -0.03 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3kkt h GLU 224 Cb 0.21 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3kkt h GLU 224 CO 0.05 0.34 -0.02 0.22 -0.73 0.00 0.00 179.01 178.87 3kkt h ASP 225 N 0.54 0.00 0.54 1.04 1.82 -1.15 -2.48 116.42 116.72 3kkt h ASP 225 Ca 0.23 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 3kkt h ASP 225 Cb 0.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.24 3kkt h ASP 225 CO -0.06 0.02 -0.11 1.41 -1.61 0.00 0.00 179.24 178.89 3kkt n HIS 226 N -3.12 0.00 -2.66 0.28 8.25 0.26 -4.73 115.22 113.50 3kkt n HIS 226 Ca 0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 3kkt n HIS 226 Cb 0.34 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 3kkt n HIS 226 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kkt s TYR 227 N -2.65 3.55 -0.21 4.41 1.51 -0.93 -1.78 117.35 121.24 3kkt s TYR 227 Ca 0.24 1.73 -0.24 0.00 -1.01 0.00 0.00 57.07 57.79 3kkt s TYR 227 Cb 0.20 -3.04 -0.01 0.00 -0.11 0.00 0.00 41.96 38.99 3kkt s TYR 227 CO 0.51 -0.16 0.81 -1.01 -1.11 0.00 0.00 175.55 174.59 3kkt s HIS 228 N -1.54 3.35 -0.66 2.71 3.76 -1.26 -4.86 115.29 116.79 3kkt s HIS 228 Ca 0.51 1.15 0.26 0.00 -0.15 0.00 0.00 55.06 56.83 3kkt s HIS 228 Cb -0.22 -3.01 0.77 0.00 1.11 0.00 0.00 32.58 31.23 3kkt s HIS 228 CO 0.28 -0.32 1.75 0.66 -0.85 0.00 0.00 174.74 176.26 3kkt h SER 229 N 7.55 0.00 0.13 1.40 4.64 -1.93 -3.19 113.55 122.15 3kkt h SER 229 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3kkt h SER 229 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3kkt h SER 229 CO 0.85 0.00 -0.25 -0.90 -0.87 0.00 0.00 176.83 175.66 3kkt n ASP 230 N -2.39 1.43 -4.73 4.97 5.75 -1.26 -4.85 116.55 115.48 3kkt n ASP 230 Ca 0.05 -1.19 -0.39 0.00 -0.01 0.00 0.00 54.79 53.25 3kkt n ASP 230 Cb 0.43 0.18 -0.05 0.00 -1.03 0.00 0.00 41.12 40.64 3kkt n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3kkt s VAL 231 N -2.39 5.06 0.06 2.12 1.01 -1.20 -5.00 120.40 120.06 3kkt s VAL 231 Ca 0.26 1.23 -0.26 0.00 0.00 0.00 0.00 61.98 63.21 3kkt s VAL 231 Cb 0.19 -3.94 -0.17 0.00 0.00 0.00 0.00 36.38 32.47 3kkt s VAL 231 CO 0.49 0.32 1.58 0.00 0.00 0.00 0.00 175.10 177.49 3kkt h ALA 232 N 6.46 -0.27 0.00 5.51 0.00 -1.88 -3.38 119.26 125.69 3kkt h ALA 232 Ca -0.42 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.09 3kkt h ALA 232 Cb 1.19 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3kkt h ALA 232 CO 0.74 -0.60 -1.96 0.98 0.00 0.00 0.00 179.25 178.42 3kkt n TYR 233 N -5.16 0.00 -1.00 0.00 9.36 -1.25 -4.68 117.16 114.43 3kkt n TYR 233 Ca -0.09 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 60.97 3kkt n TYR 233 Cb 0.17 -0.74 -0.13 0.00 -0.63 0.00 0.00 39.34 38.01 3kkt n TYR 233 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3kkt n HIS 234 N -4.11 0.46 -3.59 2.98 8.25 -1.26 -4.33 115.22 113.62 3kkt n HIS 234 Ca -0.38 -1.72 -0.24 0.00 -0.26 0.00 0.00 57.72 55.12 3kkt n HIS 234 Cb 0.73 -1.70 0.02 0.00 1.12 0.00 0.00 29.99 30.17 3kkt n HIS 234 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3kkt s ASN 235 N 2.12 4.78 0.62 0.41 2.20 -1.26 -4.45 114.94 119.35 3kkt s ASN 235 Ca 0.63 -1.13 0.35 0.00 -0.94 0.00 0.00 52.86 51.77 3kkt s ASN 235 Cb 0.27 0.45 2.03 0.00 -2.00 0.00 0.00 41.25 42.00 3kkt s ASN 235 CO -0.01 -1.23 2.28 0.77 -2.94 0.00 0.00 177.10 175.96 3kkt h SER 236 N 0.51 0.00 -0.43 3.54 4.64 -1.88 -2.42 113.55 117.51 3kkt h SER 236 Ca -0.34 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.92 3kkt h SER 236 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 3kkt h SER 236 CO 0.51 0.00 0.03 0.25 -0.87 0.00 0.00 176.83 176.75 3kkt h LEU 237 N 0.00 0.72 -0.78 5.97 5.85 -1.95 0.18 115.31 125.30 3kkt h LEU 237 Ca 0.01 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.50 3kkt h LEU 237 Cb 0.07 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3kkt h LEU 237 CO -0.00 0.83 0.47 -0.74 -0.34 0.00 0.00 178.44 178.67 3kkt h HIS 238 N 0.59 0.87 -0.61 1.25 2.76 -1.63 0.19 115.15 118.58 3kkt h HIS 238 Ca 0.13 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.24 3kkt h HIS 238 Cb 0.44 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 3kkt h HIS 238 CO 0.03 0.44 0.06 0.00 -1.30 0.00 0.00 177.93 177.16 3kkt h ALA 239 N 1.38 0.95 -0.45 5.26 0.00 -1.48 -1.09 119.26 123.82 3kkt h ALA 239 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kkt h ALA 239 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kkt h ALA 239 CO -0.17 0.65 0.29 0.00 0.00 0.00 0.00 179.25 180.01 3kkt h ALA 240 N 1.10 0.58 -0.62 0.00 0.00 -0.09 -1.70 119.26 118.53 3kkt h ALA 240 Ca 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kkt h ALA 240 Cb 0.47 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3kkt h ALA 240 CO 0.02 0.05 0.41 0.22 0.00 0.00 0.00 179.25 179.94 3kkt h ASP 241 N 0.61 0.71 -0.21 0.00 3.58 -0.36 -1.80 116.42 118.95 3kkt h ASP 241 Ca 0.16 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.46 3kkt h ASP 241 Cb -0.04 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 3kkt h ASP 241 CO -0.03 0.51 -0.36 0.58 -2.88 0.00 0.00 179.24 177.06 3kkt h VAL 242 N 0.84 1.28 -0.04 2.25 2.07 -1.09 -1.70 116.25 119.86 3kkt h VAL 242 Ca 0.23 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 3kkt h VAL 242 Cb -0.10 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3kkt h VAL 242 CO -0.05 0.49 0.02 0.00 0.02 0.00 0.00 177.57 178.06 3kkt h ALA 243 N 0.99 0.05 -0.43 1.67 0.00 -1.07 -1.42 119.26 119.06 3kkt h ALA 243 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kkt h ALA 243 Cb 0.90 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3kkt h ALA 243 CO 0.08 -0.41 0.16 0.37 0.00 0.00 0.00 179.25 179.45 3kkt h GLN 244 N -0.02 0.65 -0.69 0.00 -0.00 -1.26 -1.46 115.11 112.34 3kkt h GLN 244 Ca 0.01 -0.12 -0.02 0.00 -0.00 0.00 0.00 58.65 58.52 3kkt h GLN 244 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.42 3kkt h GLN 244 CO -0.00 0.61 0.34 0.77 0.00 0.00 0.00 178.83 180.54 3kkt h SER 245 N 0.55 0.89 -0.54 -0.69 0.02 -1.31 -2.03 113.55 110.44 3kkt h SER 245 Ca 0.14 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3kkt h SER 245 Cb 0.21 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3kkt h SER 245 CO -0.01 0.77 0.32 0.74 -1.14 0.00 0.00 176.83 177.51 3kkt h THR 246 N 0.95 1.05 -0.80 -2.27 2.02 -1.00 -1.42 112.91 111.45 3kkt h THR 246 Ca 0.24 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3kkt h THR 246 Cb 0.11 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 3kkt h THR 246 CO -0.03 0.12 0.51 -0.74 0.37 0.00 0.00 175.52 175.74 3kkt h HIS 247 N 0.63 1.02 0.07 3.16 -0.00 -0.90 -0.52 115.15 118.62 3kkt h HIS 247 Ca 0.22 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.60 3kkt h HIS 247 Cb 0.04 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.10 3kkt h HIS 247 CO -0.07 0.66 -0.03 0.28 -0.00 0.00 0.00 177.93 178.77 3kkt h VAL 248 N 1.09 1.06 -0.18 5.26 2.07 -0.99 -3.11 116.25 121.45 3kkt h VAL 248 Ca 0.29 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3kkt h VAL 248 Cb -0.09 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3kkt h VAL 248 CO -0.06 0.12 0.10 -0.07 0.02 0.00 0.00 177.57 177.67 3kkt h LEU 249 N -0.30 0.21 -1.31 2.57 3.38 -0.62 -0.16 115.31 119.07 3kkt h LEU 249 Ca -0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3kkt h LEU 249 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kkt h LEU 249 CO 0.02 0.18 -0.34 -0.07 0.09 0.00 0.00 178.44 178.32 3kkt h LEU 250 N 0.25 0.00 -0.03 1.67 3.38 -1.10 -2.84 115.31 116.64 3kkt h LEU 250 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kkt h LEU 250 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kkt h LEU 250 CO -0.01 0.34 -0.14 -1.20 0.09 0.00 0.00 178.44 177.52 3kkt n SER 251 N -4.00 0.19 -4.55 -0.43 7.64 -0.09 -4.74 113.62 107.63 3kkt n SER 251 Ca -0.02 0.12 -0.55 0.00 1.01 0.00 0.00 58.87 59.43 3kkt n SER 251 Cb 0.39 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 3kkt n SER 251 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3kkt n THR 252 N -1.41 0.05 -0.25 0.44 -1.04 -1.07 -4.82 114.28 106.18 3kkt n THR 252 Ca 0.08 -0.01 0.05 0.00 -2.04 0.00 0.00 64.05 62.13 3kkt n THR 252 Cb 0.32 -0.43 0.18 0.00 -1.82 0.00 0.00 70.33 68.58 3kkt n THR 252 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3kkt h PRO 253 N 3.76 0.26 0.00 -2.82 0.11 -1.91 -1.18 132.00 130.22 3kkt h PRO 253 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kkt h PRO 253 Cb 1.38 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3kkt h PRO 253 CO 0.71 0.17 0.00 0.00 -0.21 0.00 0.00 178.00 178.68 3kkt n ALA 254 N -2.66 1.41 -0.00 -0.75 0.00 -1.26 -1.58 120.51 115.67 3kkt n ALA 254 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3kkt n ALA 254 Cb 0.45 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.82 3kkt n ALA 254 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kkt n LEU 255 N -1.31 1.89 -4.69 0.00 4.77 -0.45 -1.43 117.00 115.77 3kkt n LEU 255 Ca 0.02 -1.83 -0.44 0.00 -0.03 0.00 0.00 56.01 53.74 3kkt n LEU 255 Cb 0.05 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3kkt n LEU 255 CO 0.04 0.47 1.35 -0.67 -1.33 0.00 0.00 177.39 177.25 3kkt n ASP 256 N -0.35 3.64 0.00 -1.43 2.03 -0.62 -1.83 116.55 117.99 3kkt n ASP 256 Ca 0.01 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.36 3kkt n ASP 256 Cb 0.22 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.12 3kkt n ASP 256 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kkt n ALA 257 N 4.43 0.00 -0.03 -1.67 0.00 -1.26 -4.84 120.51 117.14 3kkt n ALA 257 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 3kkt n ALA 257 Cb 0.33 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 19.03 3kkt n ALA 257 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kkt h VAL 258 N 0.00 1.39 -3.22 0.00 2.07 -1.73 -3.45 116.25 111.32 3kkt h VAL 258 Ca 0.00 -1.26 -0.58 0.00 0.82 0.00 0.00 66.70 65.68 3kkt h VAL 258 Cb 0.00 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 3kkt h VAL 258 CO 0.00 0.34 -0.06 -0.36 0.02 0.00 0.00 177.57 177.51 3kkt s PHE 259 N -4.17 3.75 0.80 1.57 0.08 -1.26 -5.04 117.98 113.71 3kkt s PHE 259 Ca -0.15 1.19 -0.12 0.00 0.12 0.00 0.00 56.93 57.97 3kkt s PHE 259 Cb 0.03 -2.49 0.07 0.00 -0.57 0.00 0.00 43.02 40.05 3kkt s PHE 259 CO 0.70 0.52 1.12 0.95 -0.10 0.00 0.00 175.22 178.41 3kkt s THR 260 N -0.79 2.84 0.46 0.64 -4.23 -1.26 -4.87 115.64 108.43 3kkt s THR 260 Ca 0.28 0.27 0.13 0.00 -1.18 0.00 0.00 61.69 61.20 3kkt s THR 260 Cb -0.18 -3.11 0.23 0.00 1.34 0.00 0.00 72.50 70.78 3kkt s THR 260 CO 0.17 -0.36 2.06 0.44 -0.54 0.00 0.00 174.62 176.40 3kkt h ASP 261 N -1.05 0.13 0.35 3.99 3.32 -1.99 -1.51 116.42 119.66 3kkt h ASP 261 Ca -0.47 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.39 3kkt h ASP 261 Cb 1.28 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3kkt h ASP 261 CO 0.62 0.17 -0.72 0.25 -1.72 0.00 0.00 179.24 177.83 3kkt h LEU 262 N 0.15 0.38 -0.45 1.55 5.85 -1.99 -1.11 115.31 119.69 3kkt h LEU 262 Ca 0.04 -0.25 -0.18 0.00 0.84 0.00 0.00 57.88 58.33 3kkt h LEU 262 Cb 0.11 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3kkt h LEU 262 CO 0.00 0.97 -0.68 -0.33 -0.34 0.00 0.00 178.44 178.07 3kkt h GLU 263 N 0.21 0.44 -0.15 1.25 5.08 -1.80 -1.22 114.58 118.39 3kkt h GLU 263 Ca -0.03 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 3kkt h GLU 263 Cb 1.29 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 3kkt h GLU 263 CO 0.12 0.96 -0.01 0.82 -1.00 0.00 0.00 179.01 179.90 3kkt h ILE 264 N 0.31 1.26 -0.43 3.13 2.04 -1.22 -2.21 117.51 120.38 3kkt h ILE 264 Ca -0.02 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.03 3kkt h ILE 264 Cb 1.24 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 3kkt h ILE 264 CO 0.12 0.25 0.17 0.25 0.00 0.00 0.00 178.15 178.94 3kkt h LEU 265 N -0.01 0.19 -0.69 1.44 5.85 -1.18 -2.80 115.31 118.11 3kkt h LEU 265 Ca 0.04 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3kkt h LEU 265 Cb 0.39 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3kkt h LEU 265 CO 0.01 0.14 0.46 0.00 -0.34 0.00 0.00 178.44 178.71 3kkt h ALA 266 N 1.27 0.87 0.08 1.25 0.00 -1.18 -2.23 119.26 119.33 3kkt h ALA 266 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kkt h ALA 266 Cb 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kkt h ALA 266 CO -0.19 0.29 -0.04 0.00 0.00 0.00 0.00 179.25 179.31 3kkt h ALA 267 N 1.25 -0.11 -0.33 0.00 0.00 -1.15 0.12 119.26 119.04 3kkt h ALA 267 Ca 0.25 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 3kkt h ALA 267 Cb -0.11 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kkt h ALA 267 CO -0.06 -0.51 -0.40 0.82 0.00 0.00 0.00 179.25 179.10 3kkt h ILE 268 N -0.21 1.28 -0.27 0.00 2.04 -1.51 -1.95 117.51 116.90 3kkt h ILE 268 Ca -0.01 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 3kkt h ILE 268 Cb 0.17 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3kkt h ILE 268 CO 0.02 0.52 0.12 0.15 0.00 0.00 0.00 178.15 178.96 3kkt h PHE 269 N 0.65 0.40 -0.45 1.37 3.57 -1.40 -1.88 116.94 119.20 3kkt h PHE 269 Ca 0.05 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.61 3kkt h PHE 269 Cb 0.99 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 3kkt h PHE 269 CO 0.07 0.39 -0.00 0.00 -2.23 0.00 0.00 178.31 176.54 3kkt h ALA 270 N 0.97 0.42 -0.83 2.41 0.00 -0.88 -1.30 119.26 120.05 3kkt h ALA 270 Ca 0.09 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.22 3kkt h ALA 270 Cb 0.15 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3kkt h ALA 270 CO -0.01 -0.39 0.54 0.00 0.00 0.00 0.00 179.25 179.39 3kkt h ALA 271 N 1.40 1.68 -0.38 0.00 0.00 -1.15 -1.46 119.26 119.36 3kkt h ALA 271 Ca 0.23 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 3kkt h ALA 271 Cb 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kkt h ALA 271 CO -0.38 0.16 -0.33 0.00 0.00 0.00 0.00 179.25 178.70 3kkt h ALA 272 N 1.57 0.70 -0.01 0.00 0.00 -0.42 -3.23 119.26 117.88 3kkt h ALA 272 Ca 0.38 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kkt h ALA 272 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kkt h ALA 272 CO -0.15 0.66 -0.36 0.44 0.00 0.00 0.00 179.25 179.85 3kkt n ILE 273 N -4.07 0.00 0.32 0.00 -5.35 -0.88 -4.63 119.36 104.74 3kkt n ILE 273 Ca -0.01 -0.21 0.05 0.00 -0.27 0.00 0.00 62.75 62.31 3kkt n ILE 273 Cb 0.51 0.88 0.23 0.00 -1.74 0.00 0.00 39.64 39.52 3kkt n ILE 273 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kkt n HIS 274 N -0.24 0.09 -1.32 4.28 1.44 -0.58 -2.04 115.22 116.85 3kkt n HIS 274 Ca 0.11 0.04 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 3kkt n HIS 274 Cb 0.42 -0.56 0.01 0.00 0.12 0.00 0.00 29.99 29.97 3kkt n HIS 274 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3kkt n ASP 275 N -1.58 0.23 -4.76 4.39 8.00 -1.26 -4.90 116.55 116.68 3kkt n ASP 275 Ca 0.02 -1.54 -0.42 0.00 0.71 0.00 0.00 54.79 53.56 3kkt n ASP 275 Cb 0.11 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.11 3kkt n ASP 275 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3kkt n VAL 276 N -0.10 1.62 -2.51 2.53 3.14 -0.86 -2.66 118.33 119.49 3kkt n VAL 276 Ca 0.01 -0.41 -0.15 0.00 -2.96 0.00 0.00 64.34 60.84 3kkt n VAL 276 Cb 0.57 -1.93 0.01 0.00 -1.06 0.00 0.00 33.84 31.43 3kkt n VAL 276 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3kkt n ASP 277 N 1.14 -4.47 -4.67 6.55 2.03 -0.73 -4.37 116.55 112.01 3kkt n ASP 277 Ca 0.04 -0.10 -0.43 0.00 0.52 0.00 0.00 54.79 54.83 3kkt n ASP 277 Cb 0.38 -3.50 -0.02 0.00 -0.72 0.00 0.00 41.12 37.25 3kkt n ASP 277 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3kkt s HIS 278 N -2.83 3.26 -1.52 -0.67 2.46 -1.09 -4.93 115.29 109.98 3kkt s HIS 278 Ca 0.10 1.36 0.30 0.00 0.47 0.00 0.00 55.06 57.29 3kkt s HIS 278 Cb -0.04 -3.33 1.58 0.00 -0.13 0.00 0.00 32.58 30.66 3kkt s HIS 278 CO 0.12 -0.84 2.08 -0.35 -2.47 0.00 0.00 174.74 173.28 3kkt n PRO 279 N 5.75 0.51 -0.86 2.88 -0.04 -1.26 -4.51 135.00 137.48 3kkt n PRO 279 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3kkt n PRO 279 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3kkt n PRO 279 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kkt n GLY 280 N 1.23 0.48 3.27 0.55 0.00 -1.26 -4.97 105.19 104.48 3kkt n GLY 280 Ca 0.16 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 3kkt n GLY 280 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kkt s VAL 281 N -2.00 1.55 0.75 1.61 -7.23 -1.26 -4.65 120.40 109.17 3kkt s VAL 281 Ca 0.00 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 3kkt s VAL 281 Cb 0.00 -1.54 0.04 0.00 0.56 0.00 0.00 36.38 35.44 3kkt s VAL 281 CO 0.00 -0.23 1.08 -0.94 -0.31 0.00 0.00 175.10 174.70 3kkt s SER 282 N -2.19 4.76 0.25 4.85 1.04 -1.26 -4.90 113.70 116.24 3kkt s SER 282 Ca 0.08 1.68 -0.07 0.00 0.48 0.00 0.00 55.95 58.11 3kkt s SER 282 Cb -0.08 -2.45 0.44 0.00 0.10 0.00 0.00 66.02 64.03 3kkt s SER 282 CO 0.04 -1.85 1.63 0.78 0.98 0.00 0.00 173.24 174.82 3kkt h ASN 283 N -1.00 -0.41 -0.70 7.02 2.35 -2.01 -2.30 115.58 118.53 3kkt h ASN 283 Ca -0.44 0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.48 3kkt h ASN 283 Cb 1.23 0.37 -0.03 0.00 0.05 0.00 0.00 38.32 39.94 3kkt h ASN 283 CO 0.54 -0.20 0.34 -0.61 -1.65 0.00 0.00 177.43 175.85 3kkt h GLN 284 N 0.08 1.03 -0.66 0.81 5.75 -1.98 0.44 115.11 120.59 3kkt h GLN 284 Ca 0.42 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.77 3kkt h GLN 284 Cb 0.73 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 3kkt h GLN 284 CO -0.70 0.80 0.40 0.35 -2.65 0.00 0.00 178.83 177.03 3kkt h PHE 285 N 1.02 0.86 -0.45 3.99 3.04 -1.79 0.12 116.94 123.73 3kkt h PHE 285 Ca 0.25 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.12 3kkt h PHE 285 Cb 0.11 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.32 3kkt h PHE 285 CO 0.01 0.58 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.78 3kkt h LEU 286 N 0.89 0.74 -0.25 0.59 3.38 -0.98 -2.55 115.31 117.14 3kkt h LEU 286 Ca 0.24 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3kkt h LEU 286 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3kkt h LEU 286 CO -0.05 0.83 -0.10 0.40 0.09 0.00 0.00 178.44 179.61 3kkt h ILE 287 N 0.71 1.29 0.00 1.22 2.04 -0.44 -2.82 117.51 119.52 3kkt h ILE 287 Ca 0.13 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 3kkt h ILE 287 Cb 0.48 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3kkt h ILE 287 CO 0.02 0.36 -0.22 0.78 0.00 0.00 0.00 178.15 179.10 3kkt h ASN 288 N 0.24 0.00 0.22 1.72 2.35 -0.72 -2.92 115.58 116.46 3kkt h ASN 288 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3kkt h ASN 288 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3kkt h ASN 288 CO 0.03 0.22 -0.24 0.35 -1.65 0.00 0.00 177.43 176.14 3kkt n THR 289 N -3.74 0.00 -3.58 2.81 -2.24 -0.97 -4.96 114.28 101.61 3kkt n THR 289 Ca -0.01 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.38 3kkt n THR 289 Cb 0.33 0.41 0.06 0.00 -2.10 0.00 0.00 70.33 69.03 3kkt n THR 289 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kkt n ASN 290 N -0.58 -6.02 -4.76 3.42 3.02 -1.10 -4.98 115.26 104.24 3kkt n ASN 290 Ca 0.13 -0.55 -0.33 0.00 -0.03 0.00 0.00 54.58 53.79 3kkt n ASN 290 Cb 0.35 -4.77 0.05 0.00 -0.61 0.00 0.00 39.78 34.80 3kkt n ASN 290 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kkt s SER 291 N -3.22 5.06 0.28 6.41 1.04 -1.07 -4.82 113.70 117.38 3kkt s SER 291 Ca 0.56 2.07 -0.07 0.00 0.48 0.00 0.00 55.95 58.99 3kkt s SER 291 Cb -0.26 -2.56 0.49 0.00 0.10 0.00 0.00 66.02 63.80 3kkt s SER 291 CO 0.70 -1.66 1.57 -0.33 0.98 0.00 0.00 173.24 174.50 3kkt h GLU 292 N 0.12 0.01 -0.70 4.02 5.08 -1.94 -1.53 114.58 119.65 3kkt h GLU 292 Ca -0.47 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 3kkt h GLU 292 Cb 1.25 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 3kkt h GLU 292 CO 0.54 0.00 0.20 -0.07 -1.00 0.00 0.00 179.01 178.68 3kkt h LEU 293 N 0.01 1.03 -0.43 1.33 3.38 -1.94 0.19 115.31 118.88 3kkt h LEU 293 Ca 0.48 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3kkt h LEU 293 Cb 0.80 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3kkt h LEU 293 CO -0.95 0.98 0.18 0.00 0.09 0.00 0.00 178.44 178.74 3kkt h ALA 294 N 1.09 0.56 -0.07 1.53 0.00 -1.63 -0.73 119.26 120.02 3kkt h ALA 294 Ca 0.22 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3kkt h ALA 294 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kkt h ALA 294 CO -0.00 0.17 -0.38 -0.07 0.00 0.00 0.00 179.25 178.96 3kkt h LEU 295 N 0.56 0.15 -0.04 0.00 3.38 -0.86 -0.28 115.31 118.21 3kkt h LEU 295 Ca 0.14 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3kkt h LEU 295 Cb 0.19 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kkt h LEU 295 CO -0.01 0.52 -0.53 -0.03 0.09 0.00 0.00 178.44 178.48 3kkt h MET 296 N 0.13 0.44 -0.51 1.13 4.05 -0.50 -3.34 114.93 116.33 3kkt h MET 296 Ca 0.01 -0.41 0.00 0.00 -0.28 0.00 0.00 59.70 59.02 3kkt h MET 296 Cb 0.73 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 3kkt h MET 296 CO 0.06 1.06 0.00 0.66 0.23 0.00 0.00 176.91 178.92 3kkt n TYR 297 N -4.25 0.67 -3.64 1.39 4.01 -0.29 -4.94 117.16 110.11 3kkt n TYR 297 Ca -0.09 -0.34 -0.24 0.00 -0.16 0.00 0.00 57.90 57.07 3kkt n TYR 297 Cb 0.63 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.73 3kkt n TYR 297 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kkt n ASN 298 N 1.12 -5.25 -0.82 7.72 3.02 -0.20 -1.48 115.26 119.37 3kkt n ASN 298 Ca 0.19 -0.61 -0.09 0.00 -0.03 0.00 0.00 54.58 54.04 3kkt n ASN 298 Cb 0.48 -4.79 -0.04 0.00 -0.61 0.00 0.00 39.78 34.82 3kkt n ASN 298 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kkt n ASP 299 N -3.00 -4.45 -4.23 6.41 8.00 -0.70 -4.92 116.55 113.66 3kkt n ASP 299 Ca -0.04 0.23 -0.37 0.00 0.71 0.00 0.00 54.79 55.32 3kkt n ASP 299 Cb 0.57 -3.42 -0.13 0.00 -0.02 0.00 0.00 41.12 38.12 3kkt n ASP 299 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3kkt s GLU 300 N -2.57 2.53 -1.50 -1.24 2.56 -0.55 -4.57 118.70 113.36 3kkt s GLU 300 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 54.97 53.72 3kkt s GLU 300 Cb 0.00 -3.35 0.00 0.00 2.00 0.00 0.00 34.13 32.78 3kkt s GLU 300 CO 0.00 -0.66 0.14 0.43 -0.56 0.00 0.00 175.26 174.61 3kkt n SER 301 N 4.73 0.41 -0.12 -1.70 7.64 -1.26 -4.81 113.62 118.51 3kkt n SER 301 Ca -0.12 -1.20 -0.08 0.00 1.01 0.00 0.00 58.87 58.47 3kkt n SER 301 Cb 0.44 -2.02 -0.02 0.00 -1.01 0.00 0.00 64.21 61.60 3kkt n SER 301 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3kkt h VAL 302 N -1.83 0.20 -0.05 0.44 2.07 -1.87 -0.15 116.25 115.06 3kkt h VAL 302 Ca -0.65 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 66.62 3kkt h VAL 302 Cb 1.39 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3kkt h VAL 302 CO 0.68 0.00 -0.93 -0.07 0.02 0.00 0.00 177.57 177.26 3kkt h LEU 303 N -0.27 0.83 -0.83 2.57 3.38 -1.94 -2.64 115.31 116.41 3kkt h LEU 303 Ca 0.17 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 3kkt h LEU 303 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3kkt h LEU 303 CO -0.55 1.42 0.07 -0.33 0.09 0.00 0.00 178.44 179.14 3kkt h GLU 304 N 0.40 0.95 -0.25 1.13 3.07 -1.80 0.20 114.58 118.28 3kkt h GLU 304 Ca -0.09 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.51 3kkt h GLU 304 Cb 1.57 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.35 3kkt h GLU 304 CO 0.18 0.90 0.11 -0.91 -1.40 0.00 0.00 179.01 177.89 3kkt h ASN 305 N 0.90 0.34 -0.81 1.42 2.35 -1.07 -2.94 115.58 115.76 3kkt h ASN 305 Ca 0.18 -0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3kkt h ASN 305 Cb 0.42 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 3kkt h ASN 305 CO 0.01 0.39 0.51 -0.74 -1.65 0.00 0.00 177.43 175.95 3kkt h HIS 306 N 0.26 0.95 -0.01 1.19 2.76 -1.01 -0.58 115.15 118.72 3kkt h HIS 306 Ca 0.08 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3kkt h HIS 306 Cb 0.15 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 3kkt h HIS 306 CO -0.01 0.53 -0.14 0.45 -1.30 0.00 0.00 177.93 177.45 3kkt h HIS 307 N 0.97 -0.37 -0.31 5.26 3.86 -0.58 0.04 115.15 124.02 3kkt h HIS 307 Ca 0.33 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.56 3kkt h HIS 307 Cb 0.06 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 3kkt h HIS 307 CO -0.03 -0.21 0.20 -0.07 0.86 0.00 0.00 177.93 178.68 3kkt h LEU 308 N -0.23 0.34 -0.24 2.43 3.38 -1.33 0.13 115.31 119.79 3kkt h LEU 308 Ca 0.05 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3kkt h LEU 308 Cb 0.30 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3kkt h LEU 308 CO -0.15 0.25 -0.07 0.00 0.09 0.00 0.00 178.44 178.56 3kkt h ALA 309 N 1.12 0.15 -0.15 1.53 0.00 -0.78 -1.55 119.26 119.58 3kkt h ALA 309 Ca 0.12 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3kkt h ALA 309 Cb -0.04 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kkt h ALA 309 CO -0.03 -0.48 0.03 0.28 0.00 0.00 0.00 179.25 179.04 3kkt h VAL 310 N -0.02 1.21 -0.87 0.00 2.07 -0.81 -0.31 116.25 117.52 3kkt h VAL 310 Ca 0.12 -0.69 0.21 0.00 0.82 0.00 0.00 66.70 67.16 3kkt h VAL 310 Cb 0.20 1.38 -0.12 0.00 -1.52 0.00 0.00 31.29 31.23 3kkt h VAL 310 CO -0.26 0.21 0.36 1.23 0.02 0.00 0.00 177.57 179.13 3kkt h GLY 311 N 0.04 1.45 1.18 2.17 0.00 -0.46 -2.18 103.07 105.26 3kkt h GLY 311 Ca 0.05 -0.15 -0.29 0.00 0.00 0.00 0.00 47.33 46.94 3kkt h GLY 311 CO 0.00 -0.25 -1.58 0.74 0.00 0.00 0.00 176.54 175.46 3kkt h PHE 312 N 0.39 0.13 -0.40 5.60 0.04 -1.14 -3.34 116.94 118.21 3kkt h PHE 312 Ca 0.54 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 61.18 3kkt h PHE 312 Cb 1.00 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.12 3kkt h PHE 312 CO -0.16 1.15 0.14 0.87 -0.60 0.00 0.00 178.31 179.71 3kkt h LYS 313 N 0.02 0.58 0.00 1.51 1.79 -0.69 -2.74 116.57 117.03 3kkt h LYS 313 Ca -0.24 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 3kkt h LYS 313 Cb 1.97 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 32.52 3kkt h LYS 313 CO 0.10 0.50 0.00 1.28 -1.08 0.00 0.00 179.45 180.25 3kkt n LEU 314 N -4.36 0.07 0.27 2.94 4.77 -0.85 -1.21 117.00 118.63 3kkt n LEU 314 Ca 0.03 0.51 0.15 0.00 -0.03 0.00 0.00 56.01 56.67 3kkt n LEU 314 Cb 0.16 -0.50 0.70 0.00 -2.33 0.00 0.00 43.42 41.45 3kkt n LEU 314 CO 0.37 -0.21 0.96 -0.07 -1.33 0.00 0.00 177.39 177.12 3kkt h LEU 315 N 0.00 0.00 0.00 2.23 3.38 -1.65 -3.15 115.31 116.12 3kkt h LEU 315 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kkt h LEU 315 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kkt h LEU 315 CO 0.00 0.09 -0.32 0.00 0.09 0.00 0.00 178.44 178.30 3kkt n GLN 316 N -3.30 0.01 -1.54 1.13 1.13 -0.35 -2.10 117.38 112.36 3kkt n GLN 316 Ca -0.01 0.01 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 3kkt n GLN 316 Cb 0.29 -1.51 0.11 0.00 0.11 0.00 0.00 30.24 29.25 3kkt n GLN 316 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3kkt s GLU 317 N -3.01 1.59 0.16 -1.09 2.02 -1.19 -4.95 118.70 112.23 3kkt s GLU 317 Ca 0.12 0.46 -0.32 0.00 0.02 0.00 0.00 54.97 55.25 3kkt s GLU 317 Cb 0.18 -1.88 -0.10 0.00 0.10 0.00 0.00 34.13 32.43 3kkt s GLU 317 CO 0.64 -1.92 1.58 -2.00 0.02 0.00 0.00 175.26 173.58 3kkt s GLU 318 N -5.22 4.21 -1.49 1.61 2.56 -1.26 -2.52 118.70 116.60 3kkt s GLU 318 Ca 0.62 2.37 -0.04 0.00 0.00 0.00 0.00 54.97 57.93 3kkt s GLU 318 Cb -0.15 -3.19 0.00 0.00 2.00 0.00 0.00 34.13 32.80 3kkt s GLU 318 CO 0.54 -0.63 0.47 0.72 -0.56 0.00 0.00 175.26 175.80 3kkt n HIS 319 N 4.11 -1.68 0.04 5.30 8.25 -1.26 -4.92 115.22 125.06 3kkt n HIS 319 Ca 0.14 0.40 0.01 0.00 -0.26 0.00 0.00 57.72 58.01 3kkt n HIS 319 Cb 0.38 -4.18 -0.01 0.00 1.12 0.00 0.00 29.99 27.30 3kkt n HIS 319 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kkt s ASP 321 N -1.71 5.44 0.00 0.00 -1.08 -0.89 -4.58 116.67 113.85 3kkt s ASP 321 Ca -0.00 -0.56 0.29 0.00 -0.52 0.00 0.00 52.55 51.76 3kkt s ASP 321 Cb 0.01 -2.55 1.26 0.00 -1.46 0.00 0.00 42.92 40.18 3kkt s ASP 321 CO 0.07 -2.42 1.93 2.30 0.52 0.00 0.00 175.17 177.58 3kkt n ILE 322 N 7.49 0.00 -0.39 4.11 -5.35 -1.26 -2.90 119.36 121.05 3kkt n ILE 322 Ca 0.32 -0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.90 3kkt n ILE 322 Cb 0.49 -0.49 0.28 0.00 -1.74 0.00 0.00 39.64 38.18 3kkt n ILE 322 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3kkt n PHE 323 N -1.48 0.93 -0.27 4.28 3.72 -1.26 -4.69 117.46 118.69 3kkt n PHE 323 Ca 0.08 -0.54 -0.06 0.00 -0.05 0.00 0.00 57.45 56.87 3kkt n PHE 323 Cb 0.33 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.78 3kkt n PHE 323 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 3kkt h MET 324 N 3.47 -0.14 -0.11 -1.08 4.05 -1.90 -2.37 114.93 116.85 3kkt h MET 324 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3kkt h MET 324 Cb 1.03 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.86 3kkt h MET 324 CO 0.06 -0.09 0.00 0.09 0.23 0.00 0.00 176.91 177.20 3kkt n ASN 325 N -5.41 1.36 -4.79 1.39 3.02 -1.26 -4.89 115.26 104.68 3kkt n ASN 325 Ca 0.04 -1.60 -0.34 0.00 -0.03 0.00 0.00 54.58 52.65 3kkt n ASN 325 Cb 0.35 -0.07 0.01 0.00 -0.61 0.00 0.00 39.78 39.46 3kkt n ASN 325 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kkt s LEU 326 N -1.67 3.62 0.61 3.41 1.43 -0.89 -4.97 118.68 120.21 3kkt s LEU 326 Ca 0.33 1.99 -0.18 0.00 -1.03 0.00 0.00 54.13 55.24 3kkt s LEU 326 Cb 0.18 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.81 3kkt s LEU 326 CO 0.27 -1.21 1.21 -0.89 0.23 0.00 0.00 176.35 175.96 3kkt s THR 327 N -2.13 2.62 0.49 5.49 2.01 -1.26 -4.83 115.64 118.03 3kkt s THR 327 Ca 0.68 0.37 0.21 0.00 0.31 0.00 0.00 61.69 63.26 3kkt s THR 327 Cb -0.19 -3.12 0.37 0.00 0.01 0.00 0.00 72.50 69.56 3kkt s THR 327 CO 0.31 -0.09 2.00 0.50 -0.69 0.00 0.00 174.62 176.65 3kkt h LYS 328 N 0.77 0.14 0.09 4.92 3.64 -1.97 -0.25 116.57 123.91 3kkt h LYS 328 Ca -0.50 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3kkt h LYS 328 Cb 1.30 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3kkt h LYS 328 CO 0.55 0.09 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.55 3kkt h LYS 329 N 0.14 -0.12 -0.93 1.90 3.64 -1.99 -2.83 116.57 116.38 3kkt h LYS 329 Ca 0.25 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.75 3kkt h LYS 329 Cb 0.80 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 3kkt h LYS 329 CO -0.03 0.40 0.57 1.96 -2.27 0.00 0.00 179.45 180.08 3kkt h GLN 330 N -0.81 0.89 -0.36 1.90 4.20 -1.83 -0.96 115.11 118.14 3kkt h GLN 330 Ca -0.01 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 3kkt h GLN 330 Cb 0.58 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3kkt h GLN 330 CO 0.02 0.59 -0.03 -0.09 -0.67 0.00 0.00 178.83 178.65 3kkt h ARG 331 N 0.91 0.66 -0.80 1.46 2.43 -1.14 0.85 114.38 118.75 3kkt h ARG 331 Ca 0.46 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3kkt h ARG 331 Cb 0.44 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 3kkt h ARG 331 CO -0.26 0.79 0.46 1.96 -1.51 0.00 0.00 179.97 181.40 3kkt h GLN 332 N 0.46 1.10 -0.11 0.20 4.20 -1.16 0.27 115.11 120.06 3kkt h GLN 332 Ca 0.10 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 3kkt h GLN 332 Cb 0.51 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 28.07 3kkt h GLN 332 CO 0.02 0.79 -0.44 1.15 -0.67 0.00 0.00 178.83 179.68 3kkt h THR 333 N 1.11 1.37 -0.33 -0.54 2.02 -0.99 -2.33 112.91 113.21 3kkt h THR 333 Ca 0.28 -1.76 0.04 0.00 0.77 0.00 0.00 66.41 65.75 3kkt h THR 333 Cb -0.01 2.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 3kkt h THR 333 CO -0.05 0.53 0.10 0.25 0.37 0.00 0.00 175.52 176.71 3kkt h LEU 334 N 0.09 0.08 -0.09 2.58 5.85 -0.68 -1.85 115.31 121.28 3kkt h LEU 334 Ca -0.02 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.76 3kkt h LEU 334 Cb 1.08 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3kkt h LEU 334 CO 0.09 0.08 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.17 3kkt h ARG 335 N 0.23 0.01 -0.44 1.25 2.43 -0.95 -0.61 114.38 116.30 3kkt h ARG 335 Ca 0.15 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 3kkt h ARG 335 Cb 0.15 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3kkt h ARG 335 CO -0.18 0.01 0.12 -0.22 -1.51 0.00 0.00 179.97 178.20 3kkt h LYS 336 N 0.01 0.27 -0.07 0.20 3.64 -1.21 -1.10 116.57 118.31 3kkt h LYS 336 Ca 0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3kkt h LYS 336 Cb 0.06 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3kkt h LYS 336 CO -0.09 0.18 0.03 0.52 -2.27 0.00 0.00 179.45 177.82 3kkt h MET 337 N 0.27 0.10 -0.13 1.90 2.86 -1.07 -2.23 114.93 116.63 3kkt h MET 337 Ca 0.21 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3kkt h MET 337 Cb 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3kkt h MET 337 CO -0.24 0.19 0.05 0.28 1.06 0.00 0.00 176.91 178.24 3kkt h VAL 338 N -0.02 0.97 -0.61 -2.22 2.07 -0.84 0.53 116.25 116.14 3kkt h VAL 338 Ca 0.02 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3kkt h VAL 338 Cb 0.12 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 3kkt h VAL 338 CO -0.00 0.02 0.28 0.40 0.02 0.00 0.00 177.57 178.29 3kkt h ILE 339 N 0.12 0.86 -0.09 4.57 2.04 -1.23 -1.55 117.51 122.24 3kkt h ILE 339 Ca 0.06 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3kkt h ILE 339 Cb 0.03 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3kkt h ILE 339 CO -0.05 0.09 0.04 -0.78 0.00 0.00 0.00 178.15 177.45 3kkt h ASP 340 N 0.51 0.11 -0.72 1.72 1.82 -0.77 -1.65 116.42 117.44 3kkt h ASP 340 Ca 0.29 -0.13 -0.04 0.00 -0.39 0.00 0.00 57.03 56.77 3kkt h ASP 340 Cb 0.29 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.24 3kkt h ASP 340 CO -0.24 0.21 0.28 0.24 -1.61 0.00 0.00 179.24 178.12 3kkt h MET 341 N 0.01 1.08 -0.01 0.28 2.86 -0.61 -2.43 114.93 116.11 3kkt h MET 341 Ca 0.03 -0.20 -0.26 0.00 -2.06 0.00 0.00 59.70 57.22 3kkt h MET 341 Cb 0.12 -0.17 0.02 0.00 0.06 0.00 0.00 31.60 31.63 3kkt h MET 341 CO -0.00 0.89 -1.01 0.28 1.06 0.00 0.00 176.91 178.13 3kkt h VAL 342 N 1.03 1.31 -0.08 -2.22 2.07 -1.26 -3.06 116.25 114.04 3kkt h VAL 342 Ca 0.24 -2.28 -0.04 0.00 0.82 0.00 0.00 66.70 65.44 3kkt h VAL 342 Cb 0.22 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3kkt h VAL 342 CO -0.02 0.70 -0.14 -0.07 0.02 0.00 0.00 177.57 178.07 3kkt h LEU 343 N 0.37 0.11 -2.65 2.57 3.38 -1.31 -1.20 115.31 116.58 3kkt h LEU 343 Ca -0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kkt h LEU 343 Cb 1.65 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 3kkt h LEU 343 CO 0.19 0.26 -0.00 0.00 0.09 0.00 0.00 178.44 178.98 3kkt h ALA 344 N 1.75 1.03 0.00 1.53 0.00 -1.33 -2.38 119.26 119.86 3kkt h ALA 344 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kkt h ALA 344 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kkt h ALA 344 CO 0.02 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.52 3kkt n THR 345 N -3.13 0.02 -1.98 0.00 -2.24 -0.45 -4.75 114.28 101.73 3kkt n THR 345 Ca -0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 3kkt n THR 345 Cb 0.12 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.71 3kkt n THR 345 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kkt s ASP 346 N -2.04 6.65 0.45 3.42 -1.08 -0.90 -4.90 116.67 118.28 3kkt s ASP 346 Ca 0.37 2.26 0.16 0.00 -0.52 0.00 0.00 52.55 54.82 3kkt s ASP 346 Cb 0.17 -2.53 1.04 0.00 -1.46 0.00 0.00 42.92 40.14 3kkt s ASP 346 CO 0.30 -0.94 1.99 0.24 0.52 0.00 0.00 175.17 177.28 3kkt h MET 347 N 9.63 0.00 0.00 4.34 2.86 -1.91 -1.31 114.93 128.54 3kkt h MET 347 Ca -0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3kkt h MET 347 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3kkt h MET 347 CO 0.95 0.19 0.00 -1.13 1.06 0.00 0.00 176.91 177.98 3kkt n SER 348 N -4.21 0.00 -0.83 1.22 3.41 -1.26 -2.33 113.62 109.62 3kkt n SER 348 Ca -0.02 -0.06 0.08 0.00 -0.26 0.00 0.00 58.87 58.61 3kkt n SER 348 Cb 0.26 -0.25 0.17 0.00 -0.26 0.00 0.00 64.21 64.13 3kkt n SER 348 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kkt n LYS 349 N -1.25 2.36 0.05 4.33 4.76 -0.49 -4.72 118.16 123.19 3kkt n LYS 349 Ca 0.10 -2.05 -0.13 0.00 -2.87 0.00 0.00 58.31 53.36 3kkt n LYS 349 Cb 0.14 -1.36 -0.08 0.00 -1.84 0.00 0.00 35.03 31.89 3kkt n LYS 349 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3kkt h HIS 350 N 2.96 -0.06 0.49 2.13 -0.00 -1.52 -2.05 115.15 117.10 3kkt h HIS 350 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 3kkt h HIS 350 Cb 0.78 0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.21 3kkt h HIS 350 CO 0.24 0.07 -0.28 0.52 -0.00 0.00 0.00 177.93 178.48 3kkt h MET 351 N -0.18 -0.70 -0.90 5.26 2.86 -1.84 -0.30 114.93 119.12 3kkt h MET 351 Ca -0.01 0.05 0.25 0.00 -2.06 0.00 0.00 59.70 57.93 3kkt h MET 351 Cb 0.16 0.16 -0.15 0.00 0.06 0.00 0.00 31.60 31.83 3kkt h MET 351 CO 0.01 -0.47 0.17 1.03 1.06 0.00 0.00 176.91 178.72 3kkt h SER 352 N -0.73 -0.14 0.08 1.22 0.87 -1.88 -1.62 113.55 111.35 3kkt h SER 352 Ca -0.06 0.22 -0.28 0.00 -1.23 0.00 0.00 61.79 60.44 3kkt h SER 352 Cb 0.58 0.33 0.03 0.00 -0.44 0.00 0.00 62.40 62.90 3kkt h SER 352 CO 0.07 -0.23 -1.16 0.25 -0.53 0.00 0.00 176.83 175.24 3kkt h LEU 353 N 0.13 0.88 -0.74 2.23 5.85 -0.85 -3.17 115.31 119.63 3kkt h LEU 353 Ca 0.57 -0.80 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 3kkt h LEU 353 Cb 1.17 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 3kkt h LEU 353 CO -0.73 1.58 0.33 0.25 -0.34 0.00 0.00 178.44 179.53 3kkt h LEU 354 N 0.28 1.00 -1.07 2.25 5.85 -0.66 -2.15 115.31 120.81 3kkt h LEU 354 Ca -0.17 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3kkt h LEU 354 Cb 1.83 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.57 3kkt h LEU 354 CO 0.22 0.87 0.47 0.00 -0.34 0.00 0.00 178.44 179.67 3kkt h ALA 355 N 1.17 1.30 -0.06 1.25 0.00 -1.36 -0.86 119.26 120.69 3kkt h ALA 355 Ca 0.25 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 3kkt h ALA 355 Cb 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kkt h ALA 355 CO -0.03 0.59 -0.74 -0.44 0.00 0.00 0.00 179.25 178.63 3kkt h ASP 356 N 1.13 0.39 -0.51 0.00 5.19 -1.50 -2.64 116.42 118.48 3kkt h ASP 356 Ca 0.29 -0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 3kkt h ASP 356 Cb -0.02 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 3kkt h ASP 356 CO -0.05 1.00 0.10 0.25 -3.12 0.00 0.00 179.24 177.42 3kkt h LEU 357 N 0.22 0.79 -0.53 1.55 5.85 -0.92 -1.24 115.31 121.03 3kkt h LEU 357 Ca -0.03 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.50 3kkt h LEU 357 Cb 1.31 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 3kkt h LEU 357 CO 0.12 0.84 0.24 0.11 -0.34 0.00 0.00 178.44 179.41 3kkt h LYS 358 N 0.71 0.45 -0.10 1.25 1.57 -1.17 -0.93 116.57 118.35 3kkt h LYS 358 Ca 0.16 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3kkt h LYS 358 Cb 0.37 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3kkt h LYS 358 CO 0.01 0.30 0.07 1.15 -0.57 0.00 0.00 179.45 180.40 3kkt h THR 359 N 0.46 1.02 0.04 -0.16 2.02 -1.15 -0.53 112.91 114.61 3kkt h THR 359 Ca 0.25 -0.04 -0.23 0.00 0.77 0.00 0.00 66.41 67.15 3kkt h THR 359 Cb 0.21 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3kkt h THR 359 CO -0.20 0.02 -1.05 -0.03 0.37 0.00 0.00 175.52 174.63 3kkt h MET 360 N 0.13 0.12 -0.19 6.66 -1.53 -0.28 -3.25 114.93 116.58 3kkt h MET 360 Ca 0.04 -0.18 -0.08 0.00 -3.44 0.00 0.00 59.70 56.03 3kkt h MET 360 Cb -0.01 0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 31.11 3kkt h MET 360 CO -0.01 1.06 -0.20 0.28 0.14 0.00 0.00 176.91 178.18 3kkt h VAL 361 N 0.04 1.33 0.00 -5.77 2.07 -0.54 -2.87 116.25 110.51 3kkt h VAL 361 Ca -0.06 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3kkt h VAL 361 Cb 1.78 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 3kkt h VAL 361 CO 0.15 0.41 0.21 -0.33 0.02 0.00 0.00 177.57 178.04 3kkt h GLU 362 N 0.14 0.00 -0.01 1.57 5.08 -1.17 -0.79 114.58 119.40 3kkt h GLU 362 Ca 0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3kkt h GLU 362 Cb 0.74 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.85 3kkt h GLU 362 CO 0.05 0.00 -0.70 0.25 -1.00 0.00 0.00 179.01 177.61 3kkt n THR 363 N -2.67 1.42 -2.04 1.13 -2.24 -1.19 -5.10 114.28 103.60 3kkt n THR 363 Ca -0.02 -2.46 -0.38 0.00 -2.27 0.00 0.00 64.05 58.92 3kkt n THR 363 Cb 0.26 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.70 3kkt n THR 363 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3kkt s LYS 364 N -2.09 3.57 -0.08 -0.78 -2.85 -0.31 -5.04 119.74 112.16 3kkt s LYS 364 Ca 0.37 2.03 0.03 0.00 -1.00 0.00 0.00 55.97 57.39 3kkt s LYS 364 Cb 0.38 -2.43 0.01 0.00 -2.06 0.00 0.00 37.83 33.73 3kkt s LYS 364 CO -0.10 -0.78 -0.18 0.15 0.10 0.00 0.00 175.35 174.54 3kkt s LYS 365 N -2.68 2.33 0.10 1.78 1.02 -1.26 -5.09 119.74 115.95 3kkt s LYS 365 Ca 0.65 -0.63 0.05 0.00 0.02 0.00 0.00 55.97 56.06 3kkt s LYS 365 Cb -0.35 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 3kkt s LYS 365 CO 0.43 0.09 -0.12 0.14 -0.92 0.00 0.00 175.35 174.96 3kkt s VAL 366 N 0.55 1.10 0.70 3.17 -7.23 -1.26 -0.32 120.40 117.10 3kkt s VAL 366 Ca -0.16 -1.62 -0.09 0.00 -1.81 0.00 0.00 61.98 58.30 3kkt s VAL 366 Cb -0.17 -1.37 0.04 0.00 0.56 0.00 0.00 36.38 35.44 3kkt s VAL 366 CO 0.06 -0.46 1.05 0.42 -0.31 0.00 0.00 175.10 175.85 3kkt s THR 367 N -2.17 2.84 0.47 5.32 -4.23 0.08 -4.93 115.64 113.02 3kkt s THR 367 Ca 0.06 0.04 0.23 0.00 -1.18 0.00 0.00 61.69 60.84 3kkt s THR 367 Cb -0.05 -3.23 0.27 0.00 1.34 0.00 0.00 72.50 70.84 3kkt s THR 367 CO 0.01 -0.27 2.09 0.77 -0.54 0.00 0.00 174.62 176.69 3kkt h SER 368 N -0.62 0.00 1.00 3.99 4.64 -2.02 -0.87 113.55 119.67 3kkt h SER 368 Ca -0.45 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 3kkt h SER 368 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3kkt h SER 368 CO 0.63 0.11 -0.25 0.77 -0.87 0.00 0.00 176.83 177.21 3kkt h SER 369 N 0.00 0.00 0.00 4.97 4.64 -2.05 -3.47 113.55 117.64 3kkt h SER 369 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kkt h SER 369 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3kkt h SER 369 CO 0.01 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 3kkt n GLY 370 N 0.28 1.67 3.74 -0.77 0.00 -0.33 -5.10 105.19 104.67 3kkt n GLY 370 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3kkt n GLY 370 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kkt s VAL 371 N -2.00 3.01 0.60 1.61 1.01 -1.26 -4.71 120.40 118.66 3kkt s VAL 371 Ca 0.00 0.82 -0.18 0.00 0.00 0.00 0.00 61.98 62.62 3kkt s VAL 371 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 3kkt s VAL 371 CO 0.00 0.12 1.15 -0.76 0.00 0.00 0.00 175.10 175.61 3kkt s LEU 372 N -0.06 3.60 -0.25 3.92 1.43 -0.51 -0.74 118.68 126.06 3kkt s LEU 372 Ca 0.59 2.21 -0.03 0.00 -1.03 0.00 0.00 54.13 55.87 3kkt s LEU 372 Cb -0.39 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.28 3kkt s LEU 372 CO 0.39 -1.52 -0.04 -0.22 0.23 0.00 0.00 176.35 175.20 3kkt s LEU 373 N -4.26 3.27 -0.47 1.79 2.96 0.56 -4.82 118.68 117.72 3kkt s LEU 373 Ca 0.73 -0.82 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3kkt s LEU 373 Cb -0.25 -1.70 0.14 0.00 0.50 0.00 0.00 46.19 44.88 3kkt s LEU 373 CO 0.34 -0.13 0.27 -0.76 -1.32 0.00 0.00 176.35 174.74 3kkt s LEU 374 N 1.36 2.97 0.10 -0.68 1.43 -1.26 -4.59 118.68 118.00 3kkt s LEU 374 Ca 0.01 -2.80 -0.18 0.00 -1.03 0.00 0.00 54.13 50.13 3kkt s LEU 374 Cb -0.17 -1.11 -0.07 0.00 0.03 0.00 0.00 46.19 44.87 3kkt s LEU 374 CO -0.03 -0.24 1.58 -2.24 0.23 0.00 0.00 176.35 175.65 3kkt h ASP 375 N 6.53 0.41 -1.92 2.29 -0.00 -1.99 -3.44 116.42 118.31 3kkt h ASP 375 Ca 0.01 -0.24 -0.61 0.00 -0.00 0.00 0.00 57.03 56.19 3kkt h ASP 375 Cb 0.91 -0.11 -0.13 0.00 -0.00 0.00 0.00 39.33 40.00 3kkt h ASP 375 CO 0.52 0.55 -0.66 0.20 -0.00 0.00 0.00 179.24 179.84 3kkt s ASN 376 N -5.83 3.82 0.28 4.15 -0.87 -1.26 -5.04 114.94 110.19 3kkt s ASN 376 Ca -0.14 -1.17 0.02 0.00 -1.57 0.00 0.00 52.86 50.01 3kkt s ASN 376 Cb 0.08 -0.38 0.61 0.00 -0.02 0.00 0.00 41.25 41.53 3kkt s ASN 376 CO 0.74 -0.22 1.80 0.22 -2.57 0.00 0.00 177.10 177.07 3kkt h TYR 377 N 1.97 1.05 -0.91 2.20 3.20 -1.99 -2.13 116.97 120.36 3kkt h TYR 377 Ca -0.42 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.58 3kkt h TYR 377 Cb 1.25 -0.32 -0.07 0.00 1.54 0.00 0.00 36.73 39.13 3kkt h TYR 377 CO 0.76 0.33 0.55 1.15 -1.64 0.00 0.00 178.16 179.30 3kkt h THR 378 N 0.84 0.95 -0.07 1.81 2.02 -1.98 0.19 112.91 116.67 3kkt h THR 378 Ca 0.52 -0.32 -0.10 0.00 0.77 0.00 0.00 66.41 67.28 3kkt h THR 378 Cb 0.66 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3kkt h THR 378 CO -0.32 0.17 -0.35 0.44 0.37 0.00 0.00 175.52 175.83 3kkt h ASP 379 N 0.93 0.43 -0.48 4.18 3.32 -1.77 -2.90 116.42 120.12 3kkt h ASP 379 Ca 0.43 -0.65 0.01 0.00 0.02 0.00 0.00 57.03 56.85 3kkt h ASP 379 Cb 0.35 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3kkt h ASP 379 CO -0.23 1.01 0.30 0.03 -1.72 0.00 0.00 179.24 178.63 3kkt h ARG 380 N -0.11 0.60 -0.19 3.56 3.08 -1.15 -2.59 114.38 117.58 3kkt h ARG 380 Ca -0.02 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 3kkt h ARG 380 Cb 1.00 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3kkt h ARG 380 CO 0.07 0.39 -0.25 0.97 -1.07 0.00 0.00 179.97 180.09 3kkt h ILE 381 N 0.61 1.25 -0.42 2.04 6.09 -0.73 -2.90 117.51 123.46 3kkt h ILE 381 Ca 0.19 -1.19 -0.09 0.00 -1.37 0.00 0.00 64.86 62.40 3kkt h ILE 381 Cb -0.03 1.39 -0.02 0.00 0.47 0.00 0.00 36.82 38.63 3kkt h ILE 381 CO -0.06 0.37 -0.10 -0.61 -3.07 0.00 0.00 178.15 174.68 3kkt h GLN 382 N 0.31 0.74 -0.20 2.19 4.15 -1.25 -1.46 115.11 119.59 3kkt h GLN 382 Ca 0.05 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.19 3kkt h GLN 382 Cb 0.61 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 3kkt h GLN 382 CO 0.04 0.82 -0.05 0.28 -1.93 0.00 0.00 178.83 178.00 3kkt h VAL 383 N 0.68 1.29 -0.74 2.39 2.07 -1.34 -2.84 116.25 117.75 3kkt h VAL 383 Ca 0.12 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 3kkt h VAL 383 Cb 0.56 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3kkt h VAL 383 CO 0.03 0.31 0.29 -0.07 0.02 0.00 0.00 177.57 178.15 3kkt h LEU 384 N 0.10 1.02 -0.07 2.57 3.38 -1.36 0.28 115.31 121.23 3kkt h LEU 384 Ca 0.05 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3kkt h LEU 384 Cb 0.49 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3kkt h LEU 384 CO 0.02 0.91 -0.42 0.03 0.09 0.00 0.00 178.44 179.07 3kkt h ARG 385 N 1.08 -0.51 0.00 1.13 3.08 -1.25 -1.78 114.38 116.13 3kkt h ARG 385 Ca 0.25 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.24 3kkt h ARG 385 Cb 0.21 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3kkt h ARG 385 CO -0.02 -0.34 -0.45 -0.91 -1.07 0.00 0.00 179.97 177.17 3kkt h ASN 386 N -0.53 0.00 0.29 7.04 2.35 -1.16 -1.81 115.58 121.77 3kkt h ASN 386 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3kkt h ASN 386 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 3kkt h ASN 386 CO -0.36 0.45 -0.14 -0.03 -1.65 0.00 0.00 177.43 175.70 3kkt h MET 387 N 0.00 -0.38 -0.33 0.81 4.05 -0.19 0.21 114.93 119.10 3kkt h MET 387 Ca -0.00 0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 3kkt h MET 387 Cb 0.91 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.78 3kkt h MET 387 CO 0.06 -0.14 -0.04 0.28 0.23 0.00 0.00 176.91 177.30 3kkt h VAL 388 N -0.57 1.21 -0.42 -5.77 2.07 -1.26 0.83 116.25 112.34 3kkt h VAL 388 Ca -0.04 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 3kkt h VAL 388 Cb 0.42 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3kkt h VAL 388 CO 0.07 0.29 -0.15 -0.74 0.02 0.00 0.00 177.57 177.06 3kkt h HIS 389 N 0.50 0.87 -0.26 1.57 6.17 -1.23 -0.66 115.15 122.11 3kkt h HIS 389 Ca 0.10 -0.17 -0.08 0.00 0.71 0.00 0.00 60.37 60.93 3kkt h HIS 389 Cb 0.39 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 30.10 3kkt h HIS 389 CO 0.01 0.88 -0.16 0.00 0.71 0.00 0.00 177.93 179.37 3kkt h ALA 391 N 0.72 1.32 -0.35 0.00 0.00 -0.73 -0.72 119.26 119.50 3kkt h ALA 391 Ca 0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3kkt h ALA 391 Cb 0.69 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3kkt h ALA 391 CO 0.05 0.40 -0.09 0.22 0.00 0.00 0.00 179.25 179.83 3kkt h ASP 392 N 1.12 0.57 -0.86 0.00 -0.00 -1.06 -2.96 116.42 113.22 3kkt h ASP 392 Ca 0.41 -0.14 -0.57 0.00 -0.00 0.00 0.00 57.03 56.73 3kkt h ASP 392 Cb 0.15 -0.15 -0.31 0.00 -0.00 0.00 0.00 39.33 39.02 3kkt h ASP 392 CO -0.17 0.70 0.32 0.18 -0.00 0.00 0.00 179.24 180.27 3kkt n LEU 393 N -4.21 6.51 0.03 2.28 4.77 -0.54 -4.59 117.00 121.24 3kkt n LEU 393 Ca 0.01 -4.27 0.11 0.00 -0.03 0.00 0.00 56.01 51.84 3kkt n LEU 393 Cb 0.32 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.63 3kkt n LEU 393 CO 0.41 1.56 -0.09 -1.54 -1.33 0.00 0.00 177.39 176.39 3kkt n SER 394 N -0.92 0.58 -0.35 -1.43 3.41 -0.39 -4.56 113.62 109.97 3kkt n SER 394 Ca 0.55 -0.19 -0.02 0.00 -0.26 0.00 0.00 58.87 58.95 3kkt n SER 394 Cb 0.90 0.92 0.04 0.00 -0.26 0.00 0.00 64.21 65.81 3kkt n SER 394 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3kkt h ASN 395 N 0.00 -1.36 0.28 4.04 -0.26 -1.82 0.25 115.58 116.70 3kkt h ASN 395 Ca 0.00 0.29 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 3kkt h ASN 395 Cb 0.77 0.72 0.00 0.00 -1.06 0.00 0.00 38.32 38.74 3kkt h ASN 395 CO 0.00 -0.29 0.00 -2.65 -1.06 0.00 0.00 177.43 173.43 3kkt n PRO 396 N -5.47 0.12 0.00 0.81 -0.02 -1.26 -2.16 135.00 127.02 3kkt n PRO 396 Ca 0.09 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.89 3kkt n PRO 396 Cb 0.40 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3kkt n PRO 396 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kkt n THR 397 N -1.35 0.00 -2.35 3.45 -2.24 0.86 -4.27 114.28 108.38 3kkt n THR 397 Ca 0.05 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 3kkt n THR 397 Cb 0.11 1.25 0.02 0.00 -2.10 0.00 0.00 70.33 69.61 3kkt n THR 397 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kkt s LYS 398 N -2.49 3.15 0.21 -0.78 -0.14 -0.92 -4.57 119.74 114.21 3kkt s LYS 398 Ca 0.18 0.18 -0.32 0.00 -1.36 0.00 0.00 55.97 54.65 3kkt s LYS 398 Cb 0.18 -2.25 -0.14 0.00 -1.68 0.00 0.00 37.83 33.94 3kkt s LYS 398 CO 0.58 -0.59 1.34 -1.13 -0.76 0.00 0.00 175.35 174.79 3kkt n SER 399 N -2.56 2.34 0.22 2.83 3.41 -1.26 -4.56 113.62 114.04 3kkt n SER 399 Ca 0.04 1.14 0.09 0.00 -0.26 0.00 0.00 58.87 59.88 3kkt n SER 399 Cb 0.56 -1.36 0.47 0.00 -0.26 0.00 0.00 64.21 63.62 3kkt n SER 399 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kkt h LEU 400 N 4.05 0.00 -1.19 1.04 5.85 -1.94 0.43 115.31 123.55 3kkt h LEU 400 Ca -0.45 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.20 3kkt h LEU 400 Cb 1.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 3kkt h LEU 400 CO 0.75 0.00 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.49 3kkt h GLU 401 N 0.00 0.20 0.02 1.25 4.81 -2.01 -2.98 114.58 115.87 3kkt h GLU 401 Ca 0.00 -0.07 -0.36 0.00 -0.13 0.00 0.00 59.36 58.80 3kkt h GLU 401 Cb 0.68 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 3kkt h GLU 401 CO 0.00 0.47 -2.00 1.28 -0.73 0.00 0.00 179.01 178.04 3kkt n LEU 402 N -4.15 2.17 -0.24 1.64 4.77 0.15 -4.28 117.00 117.06 3kkt n LEU 402 Ca -0.01 0.28 0.04 0.00 -0.03 0.00 0.00 56.01 56.29 3kkt n LEU 402 Cb 0.37 -0.93 0.16 0.00 -2.33 0.00 0.00 43.42 40.69 3kkt n LEU 402 CO 0.40 0.56 0.90 0.22 -1.33 0.00 0.00 177.39 178.14 3kkt h TYR 403 N -0.70 0.19 -0.14 -1.77 3.20 -1.56 0.11 116.97 116.30 3kkt h TYR 403 Ca -0.52 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.33 3kkt h TYR 403 Cb 1.61 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.90 3kkt h TYR 403 CO 0.02 -0.11 -0.19 0.00 -1.64 0.00 0.00 178.16 176.24 3kkt h ARG 404 N 0.22 0.23 -0.18 1.82 3.08 -1.75 -0.91 114.38 116.89 3kkt h ARG 404 Ca 0.39 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 3kkt h ARG 404 Cb 0.66 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3kkt h ARG 404 CO -0.52 0.43 0.02 1.96 -1.07 0.00 0.00 179.97 180.79 3kkt h GLN 405 N 0.22 0.30 -1.01 0.04 4.20 -1.19 -1.41 115.11 116.26 3kkt h GLN 405 Ca 0.04 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.70 3kkt h GLN 405 Cb 0.47 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 3kkt h GLN 405 CO 0.03 0.48 0.66 -1.49 -0.67 0.00 0.00 178.83 177.84 3kkt h TRP 406 N 0.08 1.24 -0.10 2.96 -0.00 -0.97 -1.21 115.95 117.94 3kkt h TRP 406 Ca 0.05 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.97 3kkt h TRP 406 Cb 0.32 -0.41 -0.00 0.00 -0.00 0.00 0.00 29.16 29.07 3kkt h TRP 406 CO 0.02 0.72 0.04 1.15 -0.00 0.00 0.00 178.44 180.37 3kkt h THR 407 N 1.28 1.15 -0.54 1.49 2.02 -1.07 -0.27 112.91 116.98 3kkt h THR 407 Ca 0.40 -0.46 0.10 0.00 0.77 0.00 0.00 66.41 67.22 3kkt h THR 407 Cb -0.01 1.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 3kkt h THR 407 CO -0.12 0.13 0.08 -0.78 0.37 0.00 0.00 175.52 175.20 3kkt h ASP 408 N 0.00 -0.06 -0.38 4.18 3.58 -0.98 -1.91 116.42 120.84 3kkt h ASP 408 Ca 0.03 0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 3kkt h ASP 408 Cb 0.18 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 3kkt h ASP 408 CO -0.00 -0.01 0.07 0.03 -2.88 0.00 0.00 179.24 176.44 3kkt h ARG 409 N 0.21 0.63 -0.25 0.28 3.08 -0.95 -2.43 114.38 114.95 3kkt h ARG 409 Ca 0.28 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 3kkt h ARG 409 Cb 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3kkt h ARG 409 CO -0.38 0.69 -0.22 0.97 -1.07 0.00 0.00 179.97 179.95 3kkt h ILE 410 N 0.48 1.25 -0.24 2.04 6.09 -0.82 -2.50 117.51 123.82 3kkt h ILE 410 Ca 0.12 -1.19 -0.12 0.00 -1.37 0.00 0.00 64.86 62.29 3kkt h ILE 410 Cb 0.36 1.31 -0.01 0.00 0.47 0.00 0.00 36.82 38.95 3kkt h ILE 410 CO 0.01 0.38 -0.36 0.24 -3.07 0.00 0.00 178.15 175.34 3kkt h MET 411 N 0.41 0.52 -0.43 2.19 2.86 -1.28 -0.78 114.93 118.42 3kkt h MET 411 Ca 0.06 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.38 3kkt h MET 411 Cb 0.62 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3kkt h MET 411 CO 0.04 0.81 -0.07 1.49 1.06 0.00 0.00 176.91 180.24 3kkt h GLU 412 N 0.44 0.80 -0.00 1.72 4.81 -1.18 -1.12 114.58 120.05 3kkt h GLU 412 Ca 0.05 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3kkt h GLU 412 Cb 0.83 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 3kkt h GLU 412 CO 0.07 0.91 -0.00 1.49 -0.73 0.00 0.00 179.01 180.74 3kkt h GLU 413 N 0.63 0.01 -0.63 1.92 4.81 -1.35 -1.71 114.58 118.26 3kkt h GLU 413 Ca 0.11 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3kkt h GLU 413 Cb 0.59 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 3kkt h GLU 413 CO 0.04 0.38 0.39 0.74 -0.73 0.00 0.00 179.01 179.83 3kkt h PHE 414 N -0.36 0.74 -0.06 0.92 -1.00 -1.15 -0.67 116.94 115.35 3kkt h PHE 414 Ca 0.00 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.70 3kkt h PHE 414 Cb 0.37 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 3kkt h PHE 414 CO 0.05 0.43 -0.43 0.74 -1.61 0.00 0.00 178.31 177.50 3kkt h PHE 415 N 0.78 0.16 -0.18 -0.55 0.04 -1.25 -2.22 116.94 113.73 3kkt h PHE 415 Ca 0.25 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.89 3kkt h PHE 415 Cb -0.01 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 3kkt h PHE 415 CO -0.05 0.55 -0.26 0.37 -0.60 0.00 0.00 178.31 178.32 3kkt h GLN 416 N 0.12 0.33 -0.81 1.51 4.15 -0.71 -1.26 115.11 118.43 3kkt h GLN 416 Ca 0.01 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 3kkt h GLN 416 Cb 0.81 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.44 3kkt h GLN 416 CO 0.06 0.57 0.36 0.37 -1.93 0.00 0.00 178.83 178.27 3kkt h GLN 417 N 0.29 1.18 -0.27 1.69 4.15 -0.62 -2.59 115.11 118.93 3kkt h GLN 417 Ca 0.04 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.24 3kkt h GLN 417 Cb 0.63 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3kkt h GLN 417 CO 0.04 0.92 0.01 0.78 -1.93 0.00 0.00 178.83 178.65 3kkt h GLY 418 N 1.17 0.44 0.92 2.39 0.00 -0.76 -1.66 103.07 105.57 3kkt h GLY 418 Ca 0.27 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 3kkt h GLY 418 CO -0.03 0.22 -0.03 -0.55 0.00 0.00 0.00 176.54 176.15 3kkt h ASP 419 N 0.40 0.62 -0.55 0.19 3.32 -1.02 -2.91 116.42 116.48 3kkt h ASP 419 Ca 0.09 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.83 3kkt h ASP 419 Cb 0.26 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3kkt h ASP 419 CO 0.01 0.80 0.34 0.11 -1.72 0.00 0.00 179.24 178.78 3kkt h LYS 420 N 0.43 0.65 -0.64 3.56 1.79 -1.03 -1.48 116.57 119.85 3kkt h LYS 420 Ca 0.09 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 3kkt h LYS 420 Cb 0.50 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 3kkt h LYS 420 CO 0.02 0.43 0.33 0.93 -1.08 0.00 0.00 179.45 180.09 3kkt h GLU 421 N 0.67 0.91 0.23 3.15 5.08 -1.28 -0.90 114.58 122.43 3kkt h GLU 421 Ca 0.22 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3kkt h GLU 421 Cb 0.01 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3kkt h GLU 421 CO -0.09 0.70 -0.11 0.00 -1.00 0.00 0.00 179.01 178.51 3kkt h ARG 422 N 0.88 -0.29 -0.97 2.33 3.08 -1.42 -0.63 114.38 117.36 3kkt h ARG 422 Ca 0.22 0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.55 3kkt h ARG 422 Cb 0.07 0.07 -0.13 0.00 0.08 0.00 0.00 29.97 30.06 3kkt h ARG 422 CO -0.03 -0.08 0.52 0.93 -1.07 0.00 0.00 179.97 180.24 3kkt h GLU 423 N -0.46 0.44 -0.02 0.04 5.08 -0.90 0.11 114.58 118.88 3kkt h GLU 423 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kkt h GLU 423 Cb 0.34 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3kkt h GLU 423 CO 0.05 0.29 -0.07 0.54 -1.00 0.00 0.00 179.01 178.83 3kkt n ARG 424 N -4.98 1.68 -2.94 2.33 1.74 -0.38 -4.96 116.66 109.16 3kkt n ARG 424 Ca 0.27 -1.14 -0.19 0.00 -0.77 0.00 0.00 57.85 56.02 3kkt n ARG 424 Cb 0.79 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.78 3kkt n ARG 424 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kkt n GLY 425 N 1.26 -0.33 3.74 -0.13 0.00 0.38 -4.97 105.19 105.14 3kkt n GLY 425 Ca 0.16 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3kkt n GLY 425 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kkt s MET 426 N -5.56 4.47 0.00 1.61 -1.94 -0.33 -4.93 119.30 112.62 3kkt s MET 426 Ca 0.27 1.95 0.06 0.00 -1.71 0.00 0.00 55.69 56.26 3kkt s MET 426 Cb -0.12 -3.20 0.01 0.00 2.01 0.00 0.00 34.83 33.53 3kkt s MET 426 CO 0.34 -0.10 0.54 0.39 -0.01 0.00 0.00 175.02 176.17 3kkt n GLU 427 N 2.18 1.68 -2.21 2.03 1.02 -1.26 -4.77 120.64 119.32 3kkt n GLU 427 Ca 0.04 -0.57 -0.40 0.00 -0.02 0.00 0.00 57.16 56.20 3kkt n GLU 427 Cb 0.44 -0.99 -0.03 0.00 -0.02 0.00 0.00 31.44 30.84 3kkt n GLU 427 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kkt s ILE 428 N -0.85 3.54 -0.73 -3.67 1.01 -1.26 -4.26 121.20 114.98 3kkt s ILE 428 Ca 0.05 0.39 -0.05 0.00 0.00 0.00 0.00 60.65 61.05 3kkt s ILE 428 Cb 0.05 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3kkt s ILE 428 CO 0.13 -1.07 0.65 -1.54 0.00 0.00 0.00 174.94 173.10 3kkt n SER 429 N 11.14 -6.36 -4.74 3.58 3.41 -1.26 -4.91 113.62 114.47 3kkt n SER 429 Ca 0.16 -0.41 -0.37 0.00 -0.26 0.00 0.00 58.87 57.98 3kkt n SER 429 Cb 0.50 -3.46 0.05 0.00 -0.26 0.00 0.00 64.21 61.05 3kkt n SER 429 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3kkt s PRO 430 N -3.76 2.87 0.12 4.33 0.04 -1.26 -4.83 135.00 132.51 3kkt s PRO 430 Ca 0.05 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.98 3kkt s PRO 430 Cb -0.01 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 3kkt s PRO 430 CO 0.83 -1.34 0.53 1.41 0.04 0.00 0.00 177.00 178.47 3kkt s MET 431 N -3.22 3.98 -0.01 4.56 1.75 -1.26 -1.02 119.30 124.09 3kkt s MET 431 Ca 0.78 0.49 -0.30 0.00 -1.25 0.00 0.00 55.69 55.41 3kkt s MET 431 Cb -0.36 -2.99 -0.04 0.00 2.84 0.00 0.00 34.83 34.28 3kkt s MET 431 CO 0.40 0.52 1.10 0.00 -0.65 0.00 0.00 175.02 176.38 3kkt s ASP 433 N 1.13 3.51 0.38 0.00 1.47 -1.26 -4.78 116.67 117.12 3kkt s ASP 433 Ca 0.54 1.38 0.18 0.00 1.18 0.00 0.00 52.55 55.83 3kkt s ASP 433 Cb -0.24 -2.06 1.14 0.00 -0.34 0.00 0.00 42.92 41.42 3kkt s ASP 433 CO 0.26 -2.60 1.70 0.11 0.68 0.00 0.00 175.17 175.32 3kkt h LYS 434 N -1.52 0.32 0.02 2.11 1.57 -1.95 -2.36 116.57 114.76 3kkt h LYS 434 Ca -0.50 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.04 3kkt h LYS 434 Cb 1.29 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 3kkt h LYS 434 CO 0.56 0.21 -0.96 1.12 -0.57 0.00 0.00 179.45 179.81 3kkt h HIS 435 N 0.33 0.53 -0.00 -1.35 2.07 -2.04 -3.28 115.15 111.41 3kkt h HIS 435 Ca 0.69 -0.30 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 3kkt h HIS 435 Cb 1.75 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.67 3kkt h HIS 435 CO -0.01 1.13 -0.18 -2.37 -3.07 0.00 0.00 177.93 173.43 3kkt n THR 436 N -3.70 0.00 -2.53 6.12 5.66 -0.89 -4.91 114.28 114.03 3kkt n THR 436 Ca -0.06 -0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.61 3kkt n THR 436 Cb 0.85 -0.23 -0.04 0.00 -1.55 0.00 0.00 70.33 69.36 3kkt n THR 436 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kkt s ALA 437 N -3.00 2.97 -0.61 1.79 0.00 -1.23 -3.17 121.76 118.51 3kkt s ALA 437 Ca 0.13 0.37 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 3kkt s ALA 437 Cb 0.18 -3.17 0.16 0.00 0.00 0.00 0.00 23.12 20.29 3kkt s ALA 437 CO 0.59 -0.20 0.49 -1.12 0.00 0.00 0.00 175.76 175.52 3kkt s SER 438 N -2.50 5.85 0.12 0.00 0.01 -1.26 -4.96 113.70 110.97 3kkt s SER 438 Ca 0.62 -2.40 -0.17 0.00 1.31 0.00 0.00 55.95 55.31 3kkt s SER 438 Cb -0.12 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 64.06 3kkt s SER 438 CO 0.23 -0.57 1.69 0.58 0.41 0.00 0.00 173.24 175.59 3kkt h VAL 439 N 5.52 1.17 -0.18 3.43 2.07 -1.96 -2.89 116.25 123.41 3kkt h VAL 439 Ca -0.07 -0.48 -0.17 0.00 0.82 0.00 0.00 66.70 66.80 3kkt h VAL 439 Cb 1.03 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3kkt h VAL 439 CO 0.79 0.17 -0.54 -0.33 0.02 0.00 0.00 177.57 177.68 3kkt h GLU 440 N 0.40 0.68 -0.04 1.57 3.07 -1.93 -2.60 114.58 115.73 3kkt h GLU 440 Ca 0.11 -0.50 -0.09 0.00 -0.50 0.00 0.00 59.36 58.39 3kkt h GLU 440 Cb 0.13 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3kkt h GLU 440 CO -0.01 1.12 -0.37 -0.22 -1.40 0.00 0.00 179.01 178.12 3kkt h LYS 441 N 0.37 0.09 -0.32 2.33 3.64 -1.82 -2.42 116.57 118.43 3kkt h LYS 441 Ca -0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3kkt h LYS 441 Cb 1.17 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3kkt h LYS 441 CO 0.12 0.45 0.09 0.77 -2.27 0.00 0.00 179.45 178.61 3kkt h SER 442 N 0.08 0.47 -0.61 4.20 0.02 -1.39 0.24 113.55 116.56 3kkt h SER 442 Ca 0.01 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 3kkt h SER 442 Cb 0.69 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3kkt h SER 442 CO 0.05 0.56 0.36 1.56 -1.14 0.00 0.00 176.83 178.23 3kkt h GLN 443 N 0.36 0.84 0.03 3.45 1.08 -1.29 0.23 115.11 119.80 3kkt h GLN 443 Ca 0.10 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3kkt h GLN 443 Cb 0.27 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3kkt h GLN 443 CO -0.00 0.60 -0.01 0.28 -0.95 0.00 0.00 178.83 178.75 3kkt h VAL 444 N 0.86 1.18 -0.78 -0.54 2.07 -1.20 -1.85 116.25 116.00 3kkt h VAL 444 Ca 0.22 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3kkt h VAL 444 Cb -0.02 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3kkt h VAL 444 CO -0.04 0.17 0.51 1.23 0.02 0.00 0.00 177.57 179.46 3kkt h GLY 445 N -0.32 1.09 1.01 2.17 0.00 -0.71 0.65 103.07 106.96 3kkt h GLY 445 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3kkt h GLY 445 CO 0.01 0.35 0.48 -2.75 0.00 0.00 0.00 176.54 174.63 3kkt h PHE 446 N 0.99 0.99 -0.01 5.60 3.57 -0.42 -0.68 116.94 126.98 3kkt h PHE 446 Ca 0.30 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 3kkt h PHE 446 Cb -0.02 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.39 3kkt h PHE 446 CO -0.00 0.65 -0.06 0.82 -2.23 0.00 0.00 178.31 177.49 3kkt h ILE 447 N 1.04 1.53 -0.40 1.41 2.04 -0.79 -1.20 117.51 121.13 3kkt h ILE 447 Ca 0.28 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.49 3kkt h ILE 447 Cb -0.07 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 3kkt h ILE 447 CO -0.05 0.44 0.26 0.44 0.00 0.00 0.00 178.15 179.23 3kkt h ASP 448 N -0.60 0.47 0.71 1.72 3.32 -0.75 0.24 116.42 121.53 3kkt h ASP 448 Ca -0.00 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 3kkt h ASP 448 Cb 0.74 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3kkt h ASP 448 CO 0.01 0.35 -1.37 -1.22 -1.72 0.00 0.00 179.24 175.30 3kkt n TYR 449 N -4.79 0.87 0.07 4.55 4.02 -0.27 -4.53 117.16 117.07 3kkt n TYR 449 Ca 0.01 0.28 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 3kkt n TYR 449 Cb 0.03 -1.00 0.00 0.00 -0.02 0.00 0.00 39.34 38.35 3kkt n TYR 449 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3kkt n ILE 450 N -2.77 0.82 -0.03 -0.72 5.41 -0.92 -4.84 119.36 116.32 3kkt n ILE 450 Ca -0.07 0.27 -0.13 0.00 1.00 0.00 0.00 62.75 63.82 3kkt n ILE 450 Cb 0.74 -1.31 -0.10 0.00 -0.71 0.00 0.00 39.64 38.26 3kkt n ILE 450 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3kkt h VAL 451 N 0.00 1.43 -0.27 1.39 2.07 -0.94 -3.10 116.25 116.84 3kkt h VAL 451 Ca 0.00 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 3kkt h VAL 451 Cb 0.08 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3kkt h VAL 451 CO 0.00 0.38 0.07 -0.74 0.02 0.00 0.00 177.57 177.30 3kkt h HIS 452 N -0.40 0.46 -0.86 1.57 -0.00 -0.79 -1.97 115.15 113.16 3kkt h HIS 452 Ca 0.00 -0.05 0.12 0.00 -0.00 0.00 0.00 60.37 60.44 3kkt h HIS 452 Cb 0.66 -0.13 -0.08 0.00 -0.00 0.00 0.00 27.41 27.86 3kkt h HIS 452 CO 0.12 0.51 0.48 -1.35 -0.00 0.00 0.00 177.93 177.70 3kkt h PRO 453 N 0.27 0.72 -0.27 5.26 0.11 -1.73 0.13 132.00 136.49 3kkt h PRO 453 Ca 0.09 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.06 3kkt h PRO 453 Cb 0.29 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3kkt h PRO 453 CO 0.00 0.48 -0.17 1.25 -0.21 0.00 0.00 178.00 179.35 3kkt h LEU 454 N 0.75 0.62 -0.46 2.35 5.85 -1.45 -2.62 115.31 120.35 3kkt h LEU 454 Ca 0.44 -0.43 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 3kkt h LEU 454 Cb 0.52 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3kkt h LEU 454 CO -0.30 0.92 -0.72 -0.50 -0.34 0.00 0.00 178.44 177.50 3kkt h TRP 455 N 0.33 0.42 -0.48 1.25 4.06 -1.05 -1.55 115.95 118.93 3kkt h TRP 455 Ca 0.06 -0.19 0.01 0.00 2.06 0.00 0.00 58.89 60.83 3kkt h TRP 455 Cb 0.70 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.77 3kkt h TRP 455 CO 0.07 0.92 0.31 1.49 -3.56 0.00 0.00 178.44 177.67 3kkt h GLU 456 N 0.21 0.62 -0.58 0.49 4.81 -0.79 0.20 114.58 119.54 3kkt h GLU 456 Ca -0.03 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 3kkt h GLU 456 Cb 1.28 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 3kkt h GLU 456 CO 0.12 0.41 0.10 1.15 -0.73 0.00 0.00 179.01 180.05 3kkt h THR 457 N 0.64 1.25 -0.59 0.32 2.02 -1.39 -1.93 112.91 113.23 3kkt h THR 457 Ca 0.18 -0.94 -0.09 0.00 0.77 0.00 0.00 66.41 66.33 3kkt h THR 457 Cb -0.06 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3kkt h THR 457 CO -0.05 0.35 0.03 -0.25 0.37 0.00 0.00 175.52 175.97 3kkt h TRP 458 N 0.88 1.10 -0.20 3.16 2.91 -0.85 -2.19 115.95 120.76 3kkt h TRP 458 Ca 0.18 -0.18 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 3kkt h TRP 458 Cb 0.38 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 3kkt h TRP 458 CO 0.02 0.97 -0.07 0.00 -1.03 0.00 0.00 178.44 178.34 3kkt h ALA 459 N 0.99 1.51 -0.43 2.65 0.00 -0.34 -1.33 119.26 122.29 3kkt h ALA 459 Ca 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kkt h ALA 459 Cb 0.51 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3kkt h ALA 459 CO 0.02 0.35 0.18 -0.44 0.00 0.00 0.00 179.25 179.36 3kkt h ASP 460 N 0.30 0.60 -0.35 0.00 3.32 -1.14 0.74 116.42 119.90 3kkt h ASP 460 Ca 0.07 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 3kkt h ASP 460 Cb 0.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3kkt h ASP 460 CO 0.02 0.60 0.11 0.25 -1.72 0.00 0.00 179.24 178.49 3kkt h LEU 461 N 0.56 0.51 -3.30 1.55 5.85 -0.71 -3.05 115.31 116.72 3kkt h LEU 461 Ca 0.15 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3kkt h LEU 461 Cb 0.19 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3kkt h LEU 461 CO -0.01 0.58 0.00 1.33 -0.34 0.00 0.00 178.44 180.00 3kkt n VAL 462 N -4.64 2.18 -0.90 1.05 0.24 -0.58 -4.98 118.33 110.69 3kkt n VAL 462 Ca -0.01 -1.30 -0.36 0.00 -2.04 0.00 0.00 64.34 60.63 3kkt n VAL 462 Cb 0.17 -0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 32.46 3kkt n VAL 462 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3kkt n GLN 463 N 0.89 0.00 -1.89 7.34 -0.06 0.25 0.19 117.38 124.11 3kkt n GLN 463 Ca 0.26 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.99 3kkt n GLN 463 Cb 1.00 -0.80 0.03 0.00 -4.06 0.00 0.00 30.24 26.41 3kkt n GLN 463 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 3kkt n PRO 464 N 2.38 3.36 0.23 3.69 -0.04 -1.26 -4.99 135.00 138.37 3kkt n PRO 464 Ca 0.18 -3.97 0.09 0.00 -0.04 0.00 0.00 63.50 59.76 3kkt n PRO 464 Cb -0.03 -2.28 0.54 0.00 -0.04 0.00 0.00 33.50 31.69 3kkt n PRO 464 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kkt h ASP 465 N 2.19 0.00 -0.46 3.54 3.32 -0.54 -2.98 116.42 121.49 3kkt h ASP 465 Ca 0.43 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.46 3kkt h ASP 465 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 3kkt h ASP 465 CO 0.98 0.23 0.02 0.00 -1.72 0.00 0.00 179.24 178.75 3kkt n ALA 466 N -2.32 3.60 -0.17 3.45 0.00 -1.26 -4.57 120.51 119.24 3kkt n ALA 466 Ca -0.01 -2.14 -0.10 0.00 0.00 0.00 0.00 53.44 51.18 3kkt n ALA 466 Cb 0.34 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3kkt n ALA 466 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3kkt h GLN 467 N 2.97 0.86 -0.68 0.00 5.75 -1.87 -1.48 115.11 120.66 3kkt h GLN 467 Ca 0.02 -0.28 -0.04 0.00 -0.15 0.00 0.00 58.65 58.20 3kkt h GLN 467 Cb 1.80 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 30.25 3kkt h GLN 467 CO 0.41 0.91 0.25 -0.44 -2.65 0.00 0.00 178.83 177.31 3kkt h ASP 468 N 0.71 0.95 -0.62 -0.69 3.45 -1.84 -0.27 116.42 118.11 3kkt h ASP 468 Ca 0.13 -0.18 0.02 0.00 0.43 0.00 0.00 57.03 57.43 3kkt h ASP 468 Cb 0.54 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 39.03 3kkt h ASP 468 CO 0.03 0.88 0.39 0.40 -1.57 0.00 0.00 179.24 179.36 3kkt h ILE 469 N 0.97 1.10 -0.41 0.35 5.03 -1.85 -2.40 117.51 120.29 3kkt h ILE 469 Ca 0.22 -0.26 -0.11 0.00 -0.12 0.00 0.00 64.86 64.59 3kkt h ILE 469 Cb 0.24 0.26 -0.02 0.00 -3.03 0.00 0.00 36.82 34.27 3kkt h ILE 469 CO -0.01 0.14 -0.19 0.25 -0.68 0.00 0.00 178.15 177.65 3kkt h LEU 470 N 0.77 0.80 -0.09 1.44 5.85 -0.64 -2.35 115.31 121.10 3kkt h LEU 470 Ca 0.24 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3kkt h LEU 470 Cb -0.01 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 3kkt h LEU 470 CO -0.09 0.98 0.04 0.44 -0.34 0.00 0.00 178.44 179.47 3kkt h ASP 471 N 0.70 0.11 -0.66 1.25 3.32 -0.96 -2.31 116.42 117.86 3kkt h ASP 471 Ca 0.10 -0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.14 3kkt h ASP 471 Cb 0.70 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.14 3kkt h ASP 471 CO 0.05 0.20 0.24 0.74 -1.72 0.00 0.00 179.24 178.76 3kkt h THR 472 N 0.01 0.72 -0.01 0.35 2.02 -1.30 -1.48 112.91 113.23 3kkt h THR 472 Ca 0.03 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3kkt h THR 472 Cb 0.12 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3kkt h THR 472 CO -0.00 0.07 -0.01 0.25 0.37 0.00 0.00 175.52 176.20 3kkt h LEU 473 N 0.41 -0.03 -0.59 2.58 5.85 -1.30 -1.90 115.31 120.33 3kkt h LEU 473 Ca 0.35 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 3kkt h LEU 473 Cb 0.47 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3kkt h LEU 473 CO -0.35 -0.01 0.37 -0.33 -0.34 0.00 0.00 178.44 177.77 3kkt h GLU 474 N -0.01 0.80 -0.20 1.25 5.08 -0.83 -0.59 114.58 120.08 3kkt h GLU 474 Ca 0.01 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3kkt h GLU 474 Cb 0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3kkt h GLU 474 CO -0.02 0.56 0.07 -0.44 -1.00 0.00 0.00 179.01 178.19 3kkt h ASP 475 N 0.80 0.08 -0.59 1.42 3.32 -1.25 -2.02 116.42 118.19 3kkt h ASP 475 Ca 0.21 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.32 3kkt h ASP 475 Cb -0.04 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3kkt h ASP 475 CO -0.04 0.08 0.39 0.78 -1.72 0.00 0.00 179.24 178.72 3kkt h ASN 476 N 0.17 0.58 -0.23 6.45 2.35 -0.81 -0.48 115.58 123.61 3kkt h ASN 476 Ca 0.09 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3kkt h ASN 476 Cb 0.05 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3kkt h ASN 476 CO -0.09 0.40 0.03 -0.09 -1.65 0.00 0.00 177.43 176.03 3kkt h ARG 477 N 0.67 0.39 -0.04 0.81 1.12 -0.79 -2.49 114.38 114.07 3kkt h ARG 477 Ca 0.24 -0.11 -0.08 0.00 -1.11 0.00 0.00 59.98 58.92 3kkt h ARG 477 Cb 0.11 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.01 3kkt h ARG 477 CO -0.06 0.54 -0.36 -0.91 -3.11 0.00 0.00 179.97 176.06 3kkt h ASN 478 N 0.19 0.07 0.10 -3.80 2.35 -0.75 -0.86 115.58 112.88 3kkt h ASN 478 Ca 0.07 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3kkt h ASN 478 Cb 0.34 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3kkt h ASN 478 CO 0.01 0.42 -0.05 -0.25 -1.65 0.00 0.00 177.43 175.91 3kkt h TRP 479 N 0.06 -0.12 -0.15 1.19 7.01 -1.04 -1.35 115.95 121.55 3kkt h TRP 479 Ca 0.01 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.93 3kkt h TRP 479 Cb 0.66 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 3kkt h TRP 479 CO 0.00 0.12 -0.24 1.88 -2.79 0.00 0.00 178.44 177.42 3kkt h TYR 480 N -0.35 0.29 -0.33 2.65 0.05 -1.28 -2.36 116.97 115.63 3kkt h TYR 480 Ca -0.01 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 3kkt h TYR 480 Cb 0.30 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3kkt h TYR 480 CO 0.00 0.49 0.12 0.37 -1.05 0.00 0.00 178.16 178.09 3kkt h GLN 481 N 0.24 0.50 0.00 4.88 5.75 -1.12 -2.75 115.11 122.61 3kkt h GLN 481 Ca 0.04 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 3kkt h GLN 481 Cb 0.55 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.02 3kkt h GLN 481 CO 0.04 0.51 -0.11 0.66 -2.65 0.00 0.00 178.83 177.28 3kkt h SER 482 N 0.38 0.00 0.07 -0.69 4.64 -0.94 -2.62 113.55 114.39 3kkt h SER 482 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3kkt h SER 482 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3kkt h SER 482 CO -0.01 0.11 -0.04 0.23 -0.87 0.00 0.00 176.83 176.25 3kkt n MET 483 N -3.88 1.25 -2.27 4.77 2.81 -0.92 -4.83 117.12 114.05 3kkt n MET 483 Ca -0.02 -0.54 -0.43 0.00 -1.81 0.00 0.00 57.70 54.90 3kkt n MET 483 Cb 0.20 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.20 3kkt n MET 483 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3kkt s ILE 484 N -2.12 3.93 -0.09 2.02 1.01 -0.99 -4.96 121.20 120.00 3kkt s ILE 484 Ca 0.38 1.05 -0.30 0.00 0.00 0.00 0.00 60.65 61.79 3kkt s ILE 484 Cb 0.21 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 3kkt s ILE 484 CO 0.38 -0.37 1.19 -2.84 0.00 0.00 0.00 174.94 173.30 3kkt s PRO 485 N 4.38 4.33 0.00 2.79 0.02 -1.26 -4.90 135.00 140.36 3kkt s PRO 485 Ca 0.63 1.63 0.28 0.00 0.02 0.00 0.00 61.00 63.56 3kkt s PRO 485 Cb -0.21 -3.60 1.00 0.00 0.02 0.00 0.00 34.50 31.71 3kkt s PRO 485 CO 0.26 -0.49 1.72 0.94 -0.33 0.00 0.00 177.00 179.10 3kkt n GLN 486 N 5.49 0.68 0.13 5.54 7.27 -1.26 -4.26 117.38 130.96 3kkt n GLN 486 Ca 0.11 -0.31 0.01 0.00 0.07 0.00 0.00 57.00 56.88 3kkt n GLN 486 Cb 0.46 -1.49 0.32 0.00 2.41 0.00 0.00 30.24 31.94 3kkt n GLN 486 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3kkt h SER 487 N 0.76 0.17 -3.62 1.69 4.64 -2.01 -3.31 113.55 111.88 3kkt h SER 487 Ca 0.00 -0.05 -0.70 0.00 -0.47 0.00 0.00 61.79 60.57 3kkt h SER 487 Cb 0.43 -0.05 -0.21 0.00 -0.31 0.00 0.00 62.40 62.26 3kkt h SER 487 CO 0.00 0.47 -0.48 -2.84 -0.87 0.00 0.00 176.83 173.11 3kkt s PRO 488 N -4.38 3.20 -0.06 4.77 0.02 -1.26 -5.08 135.00 132.22 3kkt s PRO 488 Ca -0.04 -0.84 -0.01 0.00 0.02 0.00 0.00 61.00 60.12 3kkt s PRO 488 Cb 0.14 -3.83 0.03 0.00 0.02 0.00 0.00 34.50 30.87 3kkt s PRO 488 CO 0.74 -0.58 0.02 0.45 -0.33 0.00 0.00 177.00 177.31 3kkt s SER 489 N 1.67 1.33 0.92 2.53 0.15 -1.25 -3.58 113.70 115.47 3kkt s SER 489 Ca 0.05 -0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.57 3kkt s SER 489 Cb -0.18 -0.31 0.14 0.00 -1.71 0.00 0.00 66.02 63.97 3kkt s SER 489 CO 0.09 -0.21 1.09 -2.84 1.20 0.00 0.00 173.24 172.58 3kkt s PRO 490 N 1.98 1.05 0.44 5.44 0.02 -1.26 -5.10 135.00 137.57 3kkt s PRO 490 Ca 0.04 0.76 -0.25 0.00 0.02 0.00 0.00 61.00 61.57 3kkt s PRO 490 Cb -0.12 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 3kkt s PRO 490 CO -0.04 -2.37 1.22 -0.35 -0.33 0.00 0.00 177.00 175.13 3kkt n PRO 491 N -3.96 1.76 -0.33 5.54 -0.04 -1.24 -4.78 135.00 131.95 3kkt n PRO 491 Ca 0.07 0.63 0.18 0.00 -0.04 0.00 0.00 63.50 64.33 3kkt n PRO 491 Cb 0.56 -2.33 0.38 0.00 -0.04 0.00 0.00 33.50 32.07 3kkt n PRO 491 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3kkt h LEU 492 N 1.86 0.45 -1.83 1.53 -0.00 -1.85 0.90 115.31 116.39 3kkt h LEU 492 Ca -0.47 0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.54 3kkt h LEU 492 Cb 1.31 0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 42.08 3kkt h LEU 492 CO 0.59 -0.03 -0.13 -2.24 -0.00 0.00 0.00 178.44 176.63 3kkt h ASP 493 N 0.41 0.00 1.76 -0.43 2.03 -1.89 -0.80 116.42 117.50 3kkt h ASP 493 Ca 0.64 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.91 3kkt h ASP 493 Cb 1.31 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.80 3kkt h ASP 493 CO -0.55 0.13 -0.25 -0.08 -1.03 0.00 0.00 179.24 177.46 3kkt h GLU 494 N 0.00 0.00 -0.01 4.15 4.81 -1.16 -3.28 114.58 119.09 3kkt h GLU 494 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kkt h GLU 494 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3kkt h GLU 494 CO 0.02 0.15 -0.03 1.04 -0.73 0.00 0.00 179.01 179.46 3kkt n GLN 495 N -3.10 1.22 -4.04 1.92 6.02 -0.32 -4.70 117.38 114.38 3kkt n GLN 495 Ca 0.03 -0.47 -0.33 0.00 -0.01 0.00 0.00 57.00 56.22 3kkt n GLN 495 Cb 0.60 -1.49 -0.15 0.00 1.02 0.00 0.00 30.24 30.22 3kkt n GLN 495 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3kkt s ASN 496 N -2.11 4.22 0.00 1.08 3.84 -1.13 -4.99 114.94 115.85 3kkt s ASN 496 Ca 0.39 -1.13 0.31 0.00 0.21 0.00 0.00 52.86 52.64 3kkt s ASN 496 Cb 0.21 -1.58 1.65 0.00 -0.55 0.00 0.00 41.25 40.98 3kkt s ASN 496 CO 0.38 -0.15 2.11 0.54 -2.79 0.00 0.00 177.10 177.19 3kkt n ARG 497 N 4.54 0.66 -0.12 0.43 1.74 -1.26 -3.91 116.66 118.75 3kkt n ARG 497 Ca -0.16 -0.02 -0.22 0.00 -0.77 0.00 0.00 57.85 56.69 3kkt n ARG 497 Cb 0.45 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.31 3kkt n ARG 497 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kkt n ASP 498 N -1.15 1.94 -4.75 0.55 8.00 -1.26 -5.01 116.55 114.87 3kkt n ASP 498 Ca 0.18 0.35 -0.30 0.00 0.71 0.00 0.00 54.79 55.73 3kkt n ASP 498 Cb 0.20 -0.80 0.12 0.00 -0.02 0.00 0.00 41.12 40.61 3kkt n ASP 498 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kkt s GLN 500 N -5.02 2.34 0.98 0.00 -0.21 -0.19 -4.85 119.66 112.71 3kkt s GLN 500 Ca 0.63 -0.81 -0.12 0.00 0.02 0.00 0.00 55.36 55.08 3kkt s GLN 500 Cb -0.17 -1.98 0.18 0.00 1.00 0.00 0.00 33.01 32.04 3kkt s GLN 500 CO 0.56 0.33 1.08 0.20 -2.12 0.00 0.00 175.29 175.34 3kkt s GLY 501 N -0.07 1.61 0.14 3.09 0.00 -1.26 -1.79 107.32 109.03 3kkt s GLY 501 Ca -0.05 -0.00 -0.26 0.00 0.00 0.00 0.00 44.72 44.41 3kkt s GLY 501 CO 0.03 0.54 1.61 1.41 0.00 0.00 0.00 173.10 176.70 3kkt h LEU 502 N -1.90 -1.02 -0.65 0.66 4.07 -1.92 -1.19 115.31 113.36 3kkt h LEU 502 Ca -0.52 0.15 -0.12 0.00 0.08 0.00 0.00 57.88 57.47 3kkt h LEU 502 Cb 1.30 0.43 -0.01 0.00 1.08 0.00 0.00 40.66 43.45 3kkt h LEU 502 CO 0.52 -0.37 -0.22 -0.03 -1.08 0.00 0.00 178.44 177.26 3kkt h MET 503 N -0.41 0.83 -0.05 1.13 4.05 -1.92 -2.02 114.93 116.53 3kkt h MET 503 Ca 0.09 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 3kkt h MET 503 Cb 0.55 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.31 3kkt h MET 503 CO -0.35 0.96 0.04 1.49 0.23 0.00 0.00 176.91 179.28 3kkt h GLU 504 N 0.72 0.07 -0.28 0.39 4.81 -1.84 0.37 114.58 118.82 3kkt h GLU 504 Ca 0.10 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3kkt h GLU 504 Cb 0.74 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3kkt h GLU 504 CO 0.06 0.07 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.15 3kkt h LYS 505 N 0.06 0.52 -0.61 1.92 3.64 -1.19 -3.15 116.57 117.75 3kkt h LYS 505 Ca 0.02 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3kkt h LYS 505 Cb 0.01 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3kkt h LYS 505 CO -0.00 0.70 0.33 0.35 -2.27 0.00 0.00 179.45 178.55 3kkt h PHE 506 N 0.29 0.85 -1.56 1.91 3.57 -1.33 -3.45 116.94 117.22 3kkt h PHE 506 Ca 0.08 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3kkt h PHE 506 Cb 0.48 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3kkt h PHE 506 CO 0.04 0.61 0.00 0.94 -2.23 0.00 0.00 178.31 177.68 3kkt n GLN 507 N -4.56 -0.45 -1.82 1.11 7.27 0.11 -4.73 117.38 114.31 3kkt n GLN 507 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 3kkt n GLN 507 Cb 0.09 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.74 3kkt n GLN 507 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 3kkt n PHE 508 N -2.09 0.00 1.34 3.69 3.01 -1.26 -4.97 117.46 117.17 3kkt n PHE 508 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.59 3kkt n PHE 508 Cb 0.00 -0.74 0.39 0.00 -0.01 0.00 0.00 39.48 39.12 3kkt n PHE 508 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16