#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3e s LEU 188 N 0.00 2.37 0.51 2.23 1.43 -1.26 -5.08 118.68 118.87 3k3e s LEU 188 Ca 0.00 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 3k3e s LEU 188 Cb 0.00 -1.49 -0.08 0.00 0.03 0.00 0.00 46.19 44.65 3k3e s LEU 188 CO 0.00 0.17 1.04 -0.94 0.23 0.00 0.00 176.35 176.85 3k3e s SER 189 N 0.27 6.27 0.34 2.29 1.04 -1.26 -4.83 113.70 117.83 3k3e s SER 189 Ca -0.14 1.88 0.20 0.00 0.48 0.00 0.00 55.95 58.37 3k3e s SER 189 Cb -0.17 -2.55 1.09 0.00 0.10 0.00 0.00 66.02 64.50 3k3e s SER 189 CO 0.07 -0.83 1.58 1.55 0.98 0.00 0.00 173.24 176.60 3k3e h PRO 190 N 1.32 0.00 0.13 4.02 0.13 -1.99 -0.56 132.00 135.05 3k3e h PRO 190 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3k3e h PRO 190 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3k3e h PRO 190 CO 0.59 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.23 3k3e h GLU 191 N 0.00 -0.17 -0.05 0.86 3.07 -1.99 -2.42 114.58 113.89 3k3e h GLU 191 Ca 0.00 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 3k3e h GLU 191 Cb 0.20 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.11 3k3e h GLU 191 CO 0.00 0.28 -0.16 1.15 -1.40 0.00 0.00 179.01 178.87 3k3e h THR 192 N -0.90 0.59 -0.16 1.13 2.02 -1.52 0.56 112.91 114.64 3k3e h THR 192 Ca -0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.21 3k3e h THR 192 Cb 0.52 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3k3e h THR 192 CO 0.03 0.00 0.16 0.40 0.37 0.00 0.00 175.52 176.47 3k3e h ILE 193 N -0.25 0.57 0.04 3.11 2.04 -1.34 -0.02 117.51 121.66 3k3e h ILE 193 Ca 0.07 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.78 3k3e h ILE 193 Cb 0.34 0.88 0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3k3e h ILE 193 CO -0.19 0.00 -0.60 -0.08 0.00 0.00 0.00 178.15 177.28 3k3e h GLU 194 N 0.00 0.33 0.00 2.37 4.57 -0.52 -3.27 114.58 118.06 3k3e h GLU 194 Ca 0.07 -0.41 -0.03 0.00 -1.18 0.00 0.00 59.36 57.80 3k3e h GLU 194 Cb 0.38 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3k3e h GLU 194 CO -0.00 1.12 -0.16 0.00 -1.18 0.00 0.00 179.01 178.78 3k3e h ALA 195 N 0.23 1.09 0.00 2.92 0.00 0.02 -3.03 119.26 120.48 3k3e h ALA 195 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3k3e h ALA 195 Cb 1.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3k3e h ALA 195 CO 0.12 0.21 0.04 -0.11 0.00 0.00 0.00 179.25 179.50 3k3e n LEU 196 N -3.41 0.14 0.05 0.00 7.94 -0.12 -0.85 117.00 120.75 3k3e n LEU 196 Ca -0.00 0.54 0.11 0.00 -1.11 0.00 0.00 56.01 55.55 3k3e n LEU 196 Cb 0.35 -0.55 0.03 0.00 0.53 0.00 0.00 43.42 43.79 3k3e n LEU 196 CO 0.31 -0.58 0.02 0.54 -1.11 0.00 0.00 177.39 176.57 3k3e n ARG 197 N -1.67 0.38 -3.82 1.96 1.74 -1.15 -4.60 116.66 109.50 3k3e n ARG 197 Ca -0.00 0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 3k3e n ARG 197 Cb 0.05 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 29.79 3k3e n ARG 197 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3k3e s LYS 198 N -3.25 3.50 -0.00 5.56 -0.14 -0.03 -4.30 119.74 121.08 3k3e s LYS 198 Ca 0.02 -0.37 0.02 0.00 -1.36 0.00 0.00 55.97 54.28 3k3e s LYS 198 Cb 0.13 -2.94 0.06 0.00 -1.68 0.00 0.00 37.83 33.40 3k3e s LYS 198 CO 0.79 0.52 1.03 -0.35 -0.76 0.00 0.00 175.35 176.58 3k3e n PRO 199 N -0.10 1.16 0.00 -1.68 -0.04 -1.26 -2.67 135.00 130.41 3k3e n PRO 199 Ca -0.05 -0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.28 3k3e n PRO 199 Cb 0.52 -1.07 0.05 0.00 -0.04 0.00 0.00 33.50 32.96 3k3e n PRO 199 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3k3e n THR 200 N -0.29 0.00 -1.60 0.52 -2.24 -1.26 -4.26 114.28 105.14 3k3e n THR 200 Ca 0.02 -0.22 -0.48 0.00 -2.27 0.00 0.00 64.05 61.10 3k3e n THR 200 Cb 0.07 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 3k3e n THR 200 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3k3e n PHE 201 N -0.24 1.52 -2.82 4.78 7.35 -1.09 -4.78 117.46 122.17 3k3e n PHE 201 Ca 0.09 0.61 -0.43 0.00 -0.76 0.00 0.00 57.45 56.97 3k3e n PHE 201 Cb 0.44 -2.33 -0.03 0.00 0.35 0.00 0.00 39.48 37.91 3k3e n PHE 201 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3k3e s ASP 202 N 0.13 6.39 0.03 -2.13 3.68 -1.26 -4.87 116.67 118.64 3k3e s ASP 202 Ca 0.73 -1.42 0.11 0.00 2.13 0.00 0.00 52.55 54.10 3k3e s ASP 202 Cb -0.82 -2.44 0.47 0.00 -1.45 0.00 0.00 42.92 38.68 3k3e s ASP 202 CO 0.51 -1.34 1.34 1.33 0.13 0.00 0.00 175.17 177.14 3k3e n VAL 203 N 5.93 1.31 0.07 1.11 0.24 -1.26 -2.76 118.33 122.98 3k3e n VAL 203 Ca 0.12 0.35 0.02 0.00 -2.04 0.00 0.00 64.34 62.79 3k3e n VAL 203 Cb 0.48 -1.20 -0.04 0.00 -1.47 0.00 0.00 33.84 31.60 3k3e n VAL 203 CO 0.00 0.00 0.00 -0.50 -2.14 0.00 0.00 176.83 174.19 3k3e h TRP 204 N 0.00 0.00 0.00 6.34 4.06 -1.95 -3.35 115.95 121.05 3k3e h TRP 204 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3k3e h TRP 204 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 3k3e h TRP 204 CO 0.00 0.50 0.00 1.28 -3.56 0.00 0.00 178.44 176.66 3k3e n LEU 205 N -2.97 0.00 -4.61 -4.49 4.77 -1.11 -4.82 117.00 103.77 3k3e n LEU 205 Ca -0.05 0.46 -0.24 0.00 -0.03 0.00 0.00 56.01 56.14 3k3e n LEU 205 Cb 0.78 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 3k3e n LEU 205 CO 0.42 -0.37 -0.33 0.26 -1.33 0.00 0.00 177.39 176.03 3k3e s TRP 206 N -2.91 2.56 0.15 -1.77 0.52 -1.26 -5.13 118.94 111.10 3k3e s TRP 206 Ca 0.03 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 55.84 3k3e s TRP 206 Cb 0.04 -1.32 -0.04 0.00 -1.15 0.00 0.00 33.47 31.00 3k3e s TRP 206 CO 0.09 0.56 0.16 -1.21 0.02 0.00 0.00 176.95 176.57 3k3e s GLU 207 N -3.67 2.99 0.23 4.98 2.02 -1.26 -4.95 118.70 119.04 3k3e s GLU 207 Ca 0.33 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.43 3k3e s GLU 207 Cb -0.03 -2.71 0.35 0.00 0.10 0.00 0.00 34.13 31.84 3k3e s GLU 207 CO 0.19 0.50 1.32 -0.35 0.02 0.00 0.00 175.26 176.94 3k3e n PRO 208 N -0.30 -0.10 -0.29 0.39 -0.04 -1.26 0.16 135.00 133.56 3k3e n PRO 208 Ca -0.08 1.32 0.02 0.00 -0.04 0.00 0.00 63.50 64.71 3k3e n PRO 208 Cb 0.54 -1.97 0.15 0.00 -0.04 0.00 0.00 33.50 32.19 3k3e n PRO 208 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3k3e h ASN 209 N 0.00 0.72 1.01 3.54 2.35 -1.99 0.17 115.58 121.38 3k3e h ASN 209 Ca 0.38 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 56.09 3k3e h ASN 209 Cb 0.60 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3k3e h ASN 209 CO -0.87 0.44 -0.37 -0.33 -1.65 0.00 0.00 177.43 174.64 3k3e h GLU 210 N 0.85 0.00 0.10 0.81 5.08 -0.67 -2.52 114.58 118.22 3k3e h GLU 210 Ca 0.38 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.47 3k3e h GLU 210 Cb 0.28 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.56 3k3e h GLU 210 CO -0.21 0.37 -1.12 0.52 -1.00 0.00 0.00 179.01 177.57 3k3e h MET 211 N 0.00 0.59 -0.74 2.33 2.86 -0.32 -2.71 114.93 116.93 3k3e h MET 211 Ca -0.00 -0.76 0.06 0.00 -2.06 0.00 0.00 59.70 56.94 3k3e h MET 211 Cb 0.98 0.25 -0.05 0.00 0.06 0.00 0.00 31.60 32.84 3k3e h MET 211 CO 0.05 1.34 0.49 -0.07 1.06 0.00 0.00 176.91 179.77 3k3e h LEU 212 N 0.20 0.69 -0.42 1.22 3.38 -0.55 0.11 115.31 119.93 3k3e h LEU 212 Ca -0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 3k3e h LEU 212 Cb 1.81 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 3k3e h LEU 212 CO 0.22 0.45 -0.25 0.28 0.09 0.00 0.00 178.44 179.22 3k3e h SER 213 N 0.78 0.94 -0.37 -0.43 0.02 -1.43 -1.18 113.55 111.89 3k3e h SER 213 Ca 0.32 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 3k3e h SER 213 Cb 0.25 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3k3e h SER 213 CO -0.11 1.16 0.14 0.00 -1.14 0.00 0.00 176.83 176.88 3k3e h LEU 215 N 0.45 0.48 -0.42 0.00 3.38 -0.95 -0.66 115.31 117.59 3k3e h LEU 215 Ca 0.12 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3k3e h LEU 215 Cb 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3k3e h LEU 215 CO -0.01 0.33 0.25 -0.08 0.09 0.00 0.00 178.44 179.03 3k3e h GLU 216 N 0.59 0.50 -0.73 1.13 4.81 -0.72 -2.17 114.58 117.99 3k3e h GLU 216 Ca 0.21 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.50 3k3e h GLU 216 Cb 0.04 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.24 3k3e h GLU 216 CO -0.10 0.33 0.39 1.25 -0.73 0.00 0.00 179.01 180.15 3k3e h HIS 217 N 0.51 0.71 -0.94 0.92 2.76 0.40 -2.23 115.15 117.28 3k3e h HIS 217 Ca 0.16 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.44 3k3e h HIS 217 Cb -0.01 -0.21 -0.07 0.00 1.55 0.00 0.00 27.41 28.68 3k3e h HIS 217 CO -0.07 0.29 0.59 0.52 -1.30 0.00 0.00 177.93 177.96 3k3e h MET 218 N 0.68 1.01 -0.47 5.26 2.86 -0.51 0.99 114.93 124.74 3k3e h MET 218 Ca 0.35 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.82 3k3e h MET 218 Cb 0.32 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3k3e h MET 218 CO -0.24 0.67 -0.14 1.88 1.06 0.00 0.00 176.91 180.14 3k3e h TYR 219 N 1.04 0.99 0.54 -0.22 -1.99 -1.09 -1.95 116.97 114.29 3k3e h TYR 219 Ca 0.42 -0.20 -0.03 0.00 2.00 0.00 0.00 58.73 60.92 3k3e h TYR 219 Cb 0.25 -0.25 0.01 0.00 2.00 0.00 0.00 36.73 38.74 3k3e h TYR 219 CO -0.02 0.96 -0.26 0.45 -0.00 0.00 0.00 178.16 179.30 3k3e h HIS 220 N 0.79 -0.67 -0.49 4.88 3.86 -1.20 -1.94 115.15 120.38 3k3e h HIS 220 Ca 0.12 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.46 3k3e h HIS 220 Cb 0.66 0.22 -0.02 0.00 1.06 0.00 0.00 27.41 29.33 3k3e h HIS 220 CO 0.04 -0.38 0.52 0.22 0.86 0.00 0.00 177.93 179.18 3k3e h ASP 221 N -1.15 0.00 0.59 2.45 -0.00 -0.83 0.17 116.42 117.64 3k3e h ASP 221 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.96 3k3e h ASP 221 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.91 3k3e h ASP 221 CO 0.12 0.00 -0.26 0.18 -0.00 0.00 0.00 179.24 179.28 3k3e n LEU 222 N -3.72 0.40 0.00 2.28 4.77 -0.74 -4.91 117.00 115.09 3k3e n LEU 222 Ca 0.09 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3k3e n LEU 222 Cb 0.71 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3k3e n LEU 222 CO 0.28 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3k3e n GLY 223 N 1.44 0.45 0.13 -0.72 0.00 0.58 -4.95 105.19 102.12 3k3e n GLY 223 Ca 0.08 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 3k3e n GLY 223 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k3e h LEU 224 N 0.00 0.51 -1.00 0.99 3.38 -1.52 -1.16 115.31 116.50 3k3e h LEU 224 Ca 0.00 -0.87 0.06 0.00 0.09 0.00 0.00 57.88 57.16 3k3e h LEU 224 Cb 0.00 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 3k3e h LEU 224 CO 0.00 1.33 0.65 0.58 0.09 0.00 0.00 178.44 181.09 3k3e h VAL 225 N -0.24 1.12 0.00 1.22 2.07 -1.78 -1.76 116.25 116.88 3k3e h VAL 225 Ca -0.12 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3k3e h VAL 225 Cb 1.52 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3k3e h VAL 225 CO 0.14 0.22 -0.00 -0.09 0.02 0.00 0.00 177.57 177.86 3k3e h ARG 226 N 1.21 -0.01 0.00 1.57 2.43 -1.85 0.16 114.38 117.88 3k3e h ARG 226 Ca 0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 3k3e h ARG 226 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3k3e h ARG 226 CO -0.16 0.48 0.00 -0.25 -1.51 0.00 0.00 179.97 178.53 3k3e n ASP 227 N -4.86 0.00 0.00 -3.80 8.00 -0.44 -3.33 116.55 112.12 3k3e n ASP 227 Ca -0.08 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.19 3k3e n ASP 227 Cb 0.25 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3k3e n ASP 227 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3k3e n PHE 228 N -1.26 0.00 -3.83 1.24 3.72 -0.68 -5.00 117.46 111.65 3k3e n PHE 228 Ca 0.15 -0.22 -0.23 0.00 -0.05 0.00 0.00 57.45 57.10 3k3e n PHE 228 Cb 0.23 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.75 3k3e n PHE 228 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3k3e n SER 229 N -0.22 -0.79 -4.66 4.37 7.64 -0.68 -4.49 113.62 114.80 3k3e n SER 229 Ca 0.00 -0.91 -0.43 0.00 1.01 0.00 0.00 58.87 58.54 3k3e n SER 229 Cb 0.24 -3.56 -0.02 0.00 -1.01 0.00 0.00 64.21 59.86 3k3e n SER 229 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3k3e s ILE 230 N -3.81 4.42 -0.21 0.44 1.01 -0.04 -4.57 121.20 118.44 3k3e s ILE 230 Ca 0.01 1.71 -0.29 0.00 0.00 0.00 0.00 60.65 62.09 3k3e s ILE 230 Cb -0.01 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 3k3e s ILE 230 CO 0.85 -0.17 2.20 -3.20 0.00 0.00 0.00 174.94 174.62 3k3e n ASN 231 N 6.56 3.19 -0.03 3.58 2.85 -1.26 -4.80 115.26 125.35 3k3e n ASN 231 Ca 0.13 0.28 0.24 0.00 -0.11 0.00 0.00 54.58 55.13 3k3e n ASN 231 Cb 0.45 -1.52 0.69 0.00 1.24 0.00 0.00 39.78 40.64 3k3e n ASN 231 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3k3e h PRO 232 N 14.40 0.00 0.03 1.20 0.13 -1.95 0.20 132.00 146.02 3k3e h PRO 232 Ca -0.40 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.61 3k3e h PRO 232 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 3k3e h PRO 232 CO 0.97 0.00 -0.47 0.28 -0.23 0.00 0.00 178.00 178.55 3k3e h VAL 233 N 0.00 1.53 -0.48 1.56 2.07 -2.01 -3.20 116.25 115.72 3k3e h VAL 233 Ca 0.31 -2.17 0.04 0.00 0.82 0.00 0.00 66.70 65.70 3k3e h VAL 233 Cb 1.63 2.88 -0.04 0.00 -1.52 0.00 0.00 31.29 34.24 3k3e h VAL 233 CO -0.00 0.61 0.24 0.74 0.02 0.00 0.00 177.57 179.17 3k3e h THR 234 N -0.40 0.96 -0.63 2.57 2.02 -0.98 -1.45 112.91 115.00 3k3e h THR 234 Ca -0.07 -0.16 0.13 0.00 0.77 0.00 0.00 66.41 67.08 3k3e h THR 234 Cb 1.25 0.45 -0.12 0.00 -1.74 0.00 0.00 68.15 67.99 3k3e h THR 234 CO 0.09 0.09 -0.18 0.25 0.37 0.00 0.00 175.52 176.14 3k3e h LEU 235 N 0.47 -0.66 -0.83 2.58 5.85 -1.15 0.54 115.31 122.12 3k3e h LEU 235 Ca 0.21 0.20 -0.12 0.00 0.84 0.00 0.00 57.88 59.00 3k3e h LEU 235 Cb 0.12 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3k3e h LEU 235 CO -0.15 -0.22 -0.56 -0.09 -0.34 0.00 0.00 178.44 177.08 3k3e h ARG 236 N -0.02 0.09 -0.15 1.25 2.43 -1.43 -2.24 114.38 114.30 3k3e h ARG 236 Ca 0.30 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.22 3k3e h ARG 236 Cb 0.48 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3k3e h ARG 236 CO -0.66 0.62 -0.68 -0.09 -1.51 0.00 0.00 179.97 177.65 3k3e h ARG 237 N 0.07 0.61 -0.05 0.20 2.43 0.08 -2.67 114.38 115.05 3k3e h ARG 237 Ca -0.00 -0.46 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3k3e h ARG 237 Cb 1.00 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3k3e h ARG 237 CO 0.08 1.08 0.03 2.35 -1.51 0.00 0.00 179.97 181.99 3k3e h TRP 238 N 0.44 0.06 -0.63 2.20 7.01 0.13 -1.01 115.95 124.14 3k3e h TRP 238 Ca -0.02 0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.08 3k3e h TRP 238 Cb 1.27 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 28.27 3k3e h TRP 238 CO 0.06 0.07 0.42 -0.07 -2.79 0.00 0.00 178.44 176.14 3k3e h LEU 239 N 0.03 0.40 -0.24 0.65 3.38 -1.39 0.31 115.31 118.45 3k3e h LEU 239 Ca 0.02 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 3k3e h LEU 239 Cb 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3k3e h LEU 239 CO -0.00 0.24 -0.59 -0.26 0.09 0.00 0.00 178.44 177.92 3k3e h PHE 240 N 0.45 1.05 -0.21 1.13 -1.00 -1.03 -1.52 116.94 115.82 3k3e h PHE 240 Ca 0.29 -0.40 -0.12 0.00 2.81 0.00 0.00 57.97 60.55 3k3e h PHE 240 Cb 0.55 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 3k3e h PHE 240 CO -0.00 1.23 -0.38 0.00 -1.61 0.00 0.00 178.31 177.55 3k3e h VAL 242 N 0.38 0.82 -0.34 0.00 2.07 -0.40 -1.90 116.25 116.88 3k3e h VAL 242 Ca 0.04 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.49 3k3e h VAL 242 Cb 0.84 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3k3e h VAL 242 CO 0.07 0.03 0.04 -0.74 0.02 0.00 0.00 177.57 176.99 3k3e h HIS 243 N -0.35 0.06 -0.70 1.57 6.17 -1.01 -0.44 115.15 120.46 3k3e h HIS 243 Ca -0.03 0.02 0.16 0.00 0.71 0.00 0.00 60.37 61.24 3k3e h HIS 243 Cb 0.27 0.02 -0.04 0.00 2.52 0.00 0.00 27.41 30.18 3k3e h HIS 243 CO -0.05 -0.01 0.48 0.22 0.71 0.00 0.00 177.93 179.28 3k3e h ASP 244 N 0.15 0.23 -0.09 3.26 3.58 -0.51 -1.26 116.42 121.78 3k3e h ASP 244 Ca 0.16 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.63 3k3e h ASP 244 Cb 0.20 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.22 3k3e h ASP 244 CO -0.23 0.12 0.00 0.59 -2.88 0.00 0.00 179.24 176.83 3k3e n ASN 245 N -4.43 1.26 -4.86 2.28 3.02 -0.20 -4.83 115.26 107.50 3k3e n ASN 245 Ca 0.13 -1.56 -0.35 0.00 -0.03 0.00 0.00 54.58 52.77 3k3e n ASN 245 Cb 0.60 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.66 3k3e n ASN 245 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3k3e s TYR 246 N -1.89 3.61 0.30 3.10 1.51 -0.48 -1.79 117.35 121.72 3k3e s TYR 246 Ca 0.34 0.88 -0.08 0.00 -1.01 0.00 0.00 57.07 57.20 3k3e s TYR 246 Cb 0.18 -2.22 -0.06 0.00 -0.11 0.00 0.00 41.96 39.75 3k3e s TYR 246 CO 0.28 0.52 0.61 1.03 -1.11 0.00 0.00 175.55 176.88 3k3e s ARG 247 N -1.78 3.72 -1.51 -0.62 0.52 -1.26 -4.88 118.95 113.15 3k3e s ARG 247 Ca 0.32 0.20 -0.10 0.00 -0.52 0.00 0.00 55.73 55.64 3k3e s ARG 247 Cb -0.15 -2.58 -0.07 0.00 0.52 0.00 0.00 34.95 32.67 3k3e s ARG 247 CO 0.17 0.18 2.76 -1.71 0.02 0.00 0.00 175.30 176.72 3k3e n ASN 248 N -0.80 7.61 -4.94 0.23 2.85 -1.26 -4.33 115.26 114.62 3k3e n ASN 248 Ca -0.00 -2.57 -0.25 0.00 -0.11 0.00 0.00 54.58 51.65 3k3e n ASN 248 Cb 0.53 -1.51 0.04 0.00 1.24 0.00 0.00 39.78 40.08 3k3e n ASN 248 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 3k3e s ASN 249 N 2.50 5.41 0.30 1.20 0.01 -1.26 -5.00 114.94 118.09 3k3e s ASN 249 Ca 0.63 0.43 0.06 0.00 -0.71 0.00 0.00 52.86 53.27 3k3e s ASN 249 Cb 0.16 -1.38 0.47 0.00 0.41 0.00 0.00 41.25 40.92 3k3e s ASN 249 CO -0.06 -1.13 1.73 1.55 -1.51 0.00 0.00 177.10 177.69 3k3e h PRO 250 N -0.11 0.31 0.00 -0.60 0.13 -1.92 -3.41 132.00 126.40 3k3e h PRO 250 Ca -0.45 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 3k3e h PRO 250 Cb 1.28 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3k3e h PRO 250 CO 0.58 0.62 -0.23 0.34 -0.23 0.00 0.00 178.00 179.08 3k3e n PHE 251 N -4.08 -0.09 -1.82 1.56 7.35 -1.25 -4.77 117.46 114.36 3k3e n PHE 251 Ca -0.01 0.02 -0.41 0.00 -0.76 0.00 0.00 57.45 56.29 3k3e n PHE 251 Cb 0.44 0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.27 3k3e n PHE 251 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3k3e n HIS 252 N -3.37 3.28 -4.42 -5.13 8.25 -1.26 -4.45 115.22 108.11 3k3e n HIS 252 Ca 0.00 -2.47 -0.23 0.00 -0.26 0.00 0.00 57.72 54.76 3k3e n HIS 252 Cb 0.12 -2.37 -0.07 0.00 1.12 0.00 0.00 29.99 28.78 3k3e n HIS 252 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3k3e n ASN 253 N 7.99 0.73 0.20 0.41 0.23 -1.26 -4.32 115.26 119.24 3k3e n ASN 253 Ca 0.50 -3.07 0.12 0.00 -0.53 0.00 0.00 54.58 51.60 3k3e n ASN 253 Cb 0.42 1.14 0.69 0.00 -2.08 0.00 0.00 39.78 39.95 3k3e n ASN 253 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3k3e h PHE 254 N 1.74 0.00 -0.15 -2.53 3.57 -1.88 -1.30 116.94 116.40 3k3e h PHE 254 Ca -0.28 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.10 3k3e h PHE 254 Cb 1.15 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3k3e h PHE 254 CO 0.00 0.00 -0.43 -0.09 -2.23 0.00 0.00 178.31 175.56 3k3e h ARG 255 N 0.00 0.35 -0.18 1.11 2.43 -1.96 -1.08 114.38 115.04 3k3e h ARG 255 Ca 0.07 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3k3e h ARG 255 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3k3e h ARG 255 CO -0.00 0.73 0.03 1.25 -1.51 0.00 0.00 179.97 180.47 3k3e h HIS 256 N 0.29 0.32 -0.17 2.20 2.76 -1.47 0.19 115.15 119.27 3k3e h HIS 256 Ca 0.02 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3k3e h HIS 256 Cb 0.89 -0.09 -0.07 0.00 1.55 0.00 0.00 27.41 29.69 3k3e h HIS 256 CO 0.02 0.45 -0.46 0.00 -1.30 0.00 0.00 177.93 176.64 3k3e h PHE 258 N -0.50 1.10 0.00 0.00 3.04 -1.08 -1.46 116.94 118.05 3k3e h PHE 258 Ca 0.07 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.07 3k3e h PHE 258 Cb 0.64 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 3k3e h PHE 258 CO -0.53 0.53 -0.10 0.00 -2.02 0.00 0.00 178.31 176.18 3k3e h VAL 260 N -0.18 1.22 -0.58 0.00 2.07 -0.53 -1.40 116.25 116.85 3k3e h VAL 260 Ca 0.04 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 3k3e h VAL 260 Cb 0.23 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3k3e h VAL 260 CO -0.10 0.27 0.06 0.00 0.02 0.00 0.00 177.57 177.81 3k3e h ALA 261 N 1.02 0.78 -0.37 1.67 0.00 -1.04 -1.02 119.26 120.31 3k3e h ALA 261 Ca 0.16 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3k3e h ALA 261 Cb 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3k3e h ALA 261 CO -0.01 0.56 -0.20 0.37 0.00 0.00 0.00 179.25 179.97 3k3e h GLN 262 N 0.88 0.70 -0.37 0.00 -0.00 -0.22 -0.47 115.11 115.63 3k3e h GLN 262 Ca 0.17 -0.26 -0.12 0.00 -0.00 0.00 0.00 58.65 58.43 3k3e h GLN 262 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.90 3k3e h GLN 262 CO 0.02 0.85 -0.25 1.98 0.00 0.00 0.00 178.83 181.43 3k3e h MET 263 N 0.62 0.82 -0.72 1.69 4.05 -1.08 -1.26 114.93 119.05 3k3e h MET 263 Ca 0.09 -0.39 0.04 0.00 -0.28 0.00 0.00 59.70 59.16 3k3e h MET 263 Cb 0.68 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.42 3k3e h MET 263 CO 0.05 1.03 0.44 1.98 0.23 0.00 0.00 176.91 180.64 3k3e h MET 264 N 0.62 0.82 -0.36 0.39 1.85 -0.91 -0.43 114.93 116.90 3k3e h MET 264 Ca 0.07 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 59.14 3k3e h MET 264 Cb 0.82 -0.18 -0.03 0.00 0.43 0.00 0.00 31.60 32.64 3k3e h MET 264 CO 0.07 0.54 0.18 -0.92 -0.40 0.00 0.00 176.91 176.38 3k3e h TYR 265 N 0.84 0.33 -0.72 1.39 3.20 -0.73 -1.81 116.97 119.48 3k3e h TYR 265 Ca 0.30 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.23 3k3e h TYR 265 Cb 0.07 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 3k3e h TYR 265 CO -0.05 0.17 0.43 0.77 -1.64 0.00 0.00 178.16 177.84 3k3e h SER 266 N 0.37 0.66 -0.34 -2.11 0.02 -0.07 -1.29 113.55 110.78 3k3e h SER 266 Ca 0.15 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3k3e h SER 266 Cb 0.06 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3k3e h SER 266 CO -0.11 0.43 0.12 0.24 -1.14 0.00 0.00 176.83 176.37 3k3e h MET 267 N 0.79 0.60 -0.62 3.45 2.86 -0.65 0.40 114.93 121.75 3k3e h MET 267 Ca 0.31 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 3k3e h MET 267 Cb 0.14 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 3k3e h MET 267 CO -0.16 0.54 0.29 0.28 1.06 0.00 0.00 176.91 178.91 3k3e h VAL 268 N 0.59 1.21 0.06 -2.22 2.07 -0.39 0.57 116.25 118.13 3k3e h VAL 268 Ca 0.14 -0.60 -0.21 0.00 0.82 0.00 0.00 66.70 66.85 3k3e h VAL 268 Cb 0.20 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3k3e h VAL 268 CO -0.01 0.25 -1.12 -0.50 0.02 0.00 0.00 177.57 176.21 3k3e h TRP 269 N 0.88 0.22 -0.00 1.57 -0.00 -1.23 -0.55 115.95 116.84 3k3e h TRP 269 Ca 0.22 -0.16 0.03 0.00 -0.00 0.00 0.00 58.89 58.97 3k3e h TRP 269 Cb 0.11 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 29.22 3k3e h TRP 269 CO 0.01 1.44 -0.22 1.25 -0.00 0.00 0.00 178.44 180.91 3k3e h LEU 270 N -0.65 -0.66 -1.92 -4.49 5.85 -0.18 -2.48 115.31 110.79 3k3e h LEU 270 Ca -0.27 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3k3e h LEU 270 Cb 1.48 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.78 3k3e h LEU 270 CO -0.04 -0.29 0.00 0.00 -0.34 0.00 0.00 178.44 177.77 3k3e n SER 272 N 0.70 -0.74 0.26 0.00 7.64 -0.93 -4.81 113.62 115.74 3k3e n SER 272 Ca 0.16 -1.22 0.10 0.00 1.01 0.00 0.00 58.87 58.92 3k3e n SER 272 Cb 0.51 -1.96 0.70 0.00 -1.01 0.00 0.00 64.21 62.45 3k3e n SER 272 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3k3e h LEU 273 N -2.00 0.00 0.00 -3.43 3.38 -1.29 -2.82 115.31 109.15 3k3e h LEU 273 Ca -0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.30 3k3e h LEU 273 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3k3e h LEU 273 CO 0.64 0.09 0.00 0.00 0.09 0.00 0.00 178.44 179.26 3k3e n GLN 274 N -4.05 0.51 -0.00 1.13 6.02 -1.26 -0.97 117.38 118.75 3k3e n GLN 274 Ca -0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.02 3k3e n GLN 274 Cb 0.17 -1.07 -0.08 0.00 1.02 0.00 0.00 30.24 30.28 3k3e n GLN 274 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3k3e n GLU 275 N -0.57 1.53 -0.01 -1.09 1.02 -1.06 -4.54 120.64 115.93 3k3e n GLU 275 Ca 0.02 -0.06 0.05 0.00 -0.02 0.00 0.00 57.16 57.14 3k3e n GLU 275 Cb 0.01 -1.19 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 3k3e n GLU 275 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3k3e n LYS 276 N -1.65 0.34 -5.01 3.49 4.76 -0.37 -5.02 118.16 114.71 3k3e n LYS 276 Ca -0.00 -0.09 -0.31 0.00 -2.87 0.00 0.00 58.31 55.04 3k3e n LYS 276 Cb 0.26 -1.23 -0.14 0.00 -1.84 0.00 0.00 35.03 32.08 3k3e n LYS 276 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3k3e s PHE 277 N -2.65 2.50 0.88 2.13 0.08 -0.14 -5.05 117.98 115.72 3k3e s PHE 277 Ca -0.04 -0.31 -0.11 0.00 0.12 0.00 0.00 56.93 56.59 3k3e s PHE 277 Cb 0.06 -1.53 0.12 0.00 -0.57 0.00 0.00 43.02 41.10 3k3e s PHE 277 CO 0.40 0.11 1.09 -1.54 -0.10 0.00 0.00 175.22 175.18 3k3e s SER 278 N -0.87 3.60 0.43 1.36 1.04 -1.26 -4.67 113.70 113.33 3k3e s SER 278 Ca 0.12 1.62 0.14 0.00 0.48 0.00 0.00 55.95 58.31 3k3e s SER 278 Cb -0.10 -2.29 0.94 0.00 0.10 0.00 0.00 66.02 64.67 3k3e s SER 278 CO 0.01 -2.58 1.96 1.56 0.98 0.00 0.00 173.24 175.17 3k3e h GLN 279 N -1.51 0.01 -0.20 4.02 1.08 -1.99 -1.21 115.11 115.32 3k3e h GLN 279 Ca -0.48 -0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 56.64 3k3e h GLN 279 Cb 1.27 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.69 3k3e h GLN 279 CO 0.53 0.22 -0.23 1.15 -0.95 0.00 0.00 178.83 179.54 3k3e h THR 280 N 0.01 1.25 -0.39 -0.54 2.02 -1.99 0.18 112.91 113.44 3k3e h THR 280 Ca -0.00 -1.16 -0.11 0.00 0.77 0.00 0.00 66.41 65.91 3k3e h THR 280 Cb 0.38 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3k3e h THR 280 CO 0.03 0.36 -0.17 0.44 0.37 0.00 0.00 175.52 176.55 3k3e h ASP 281 N 0.33 0.83 -0.14 4.18 3.32 -1.58 -1.92 116.42 121.44 3k3e h ASP 281 Ca 0.05 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 3k3e h ASP 281 Cb 0.60 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3k3e h ASP 281 CO 0.04 1.05 -0.01 0.40 -1.72 0.00 0.00 179.24 179.00 3k3e h ILE 282 N 0.62 1.26 -0.60 0.35 1.08 -1.01 -1.28 117.51 117.92 3k3e h ILE 282 Ca 0.09 -0.86 0.12 0.00 -0.39 0.00 0.00 64.86 63.82 3k3e h ILE 282 Cb 0.72 1.56 -0.09 0.00 -3.07 0.00 0.00 36.82 35.94 3k3e h ILE 282 CO 0.05 0.25 0.08 0.25 -0.69 0.00 0.00 178.15 178.10 3k3e h LEU 283 N -0.02 -0.10 -0.40 1.44 5.85 -0.61 -0.13 115.31 121.33 3k3e h LEU 283 Ca 0.04 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3k3e h LEU 283 Cb 0.39 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3k3e h LEU 283 CO 0.01 -0.04 0.23 0.40 -0.34 0.00 0.00 178.44 178.70 3k3e h ILE 284 N 0.20 1.14 -0.28 4.05 2.04 -1.09 0.39 117.51 123.97 3k3e h ILE 284 Ca 0.32 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3k3e h ILE 284 Cb 0.49 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3k3e h ILE 284 CO -0.45 0.15 0.19 -0.07 0.00 0.00 0.00 178.15 177.96 3k3e h LEU 285 N 0.52 0.32 -0.24 1.44 3.38 -0.34 0.15 115.31 120.55 3k3e h LEU 285 Ca 0.14 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3k3e h LEU 285 Cb 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3k3e h LEU 285 CO -0.02 0.23 -0.08 0.24 0.09 0.00 0.00 178.44 178.90 3k3e h MET 286 N 0.38 0.47 -0.25 1.13 2.86 -0.91 -1.58 114.93 117.03 3k3e h MET 286 Ca 0.10 -0.19 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 3k3e h MET 286 Cb -0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3k3e h MET 286 CO -0.02 0.72 -0.41 1.15 1.06 0.00 0.00 176.91 179.41 3k3e h THR 287 N 0.20 1.30 -0.37 2.22 2.02 -0.86 -2.17 112.91 115.25 3k3e h THR 287 Ca 0.06 -1.57 -0.06 0.00 0.77 0.00 0.00 66.41 65.61 3k3e h THR 287 Cb 0.56 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 3k3e h THR 287 CO 0.03 0.50 0.01 0.00 0.37 0.00 0.00 175.52 176.43 3k3e h ALA 288 N 1.07 0.50 -0.64 6.16 0.00 -0.96 -2.19 119.26 123.20 3k3e h ALA 288 Ca 0.04 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3k3e h ALA 288 Cb 0.91 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 3k3e h ALA 288 CO 0.08 0.25 0.36 0.00 0.00 0.00 0.00 179.25 179.94 3k3e h ALA 289 N 0.88 0.84 0.00 0.00 0.00 -1.11 0.22 119.26 120.09 3k3e h ALA 289 Ca 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3k3e h ALA 289 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3k3e h ALA 289 CO 0.02 0.04 -0.34 0.82 0.00 0.00 0.00 179.25 179.79 3k3e h ILE 290 N 0.67 1.05 -0.00 0.00 2.04 -1.22 -3.28 117.51 116.77 3k3e h ILE 290 Ca 0.28 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3k3e h ILE 290 Cb 0.16 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3k3e h ILE 290 CO -0.17 0.33 -0.65 0.00 0.00 0.00 0.00 178.15 177.66 3k3e h HIS 292 N 0.35 0.00 0.00 0.00 2.07 -0.64 -2.06 115.15 114.87 3k3e h HIS 292 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3k3e h HIS 292 Cb 0.40 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.38 3k3e h HIS 292 CO 0.00 0.00 -0.02 -0.25 -3.07 0.00 0.00 177.93 174.59 3k3e n ASP 293 N -3.21 2.13 -4.54 3.10 8.00 -1.26 -4.83 116.55 115.93 3k3e n ASP 293 Ca 0.04 -2.70 -0.52 0.00 0.71 0.00 0.00 54.79 52.31 3k3e n ASP 293 Cb 0.61 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.36 3k3e n ASP 293 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3k3e n LEU 294 N -1.09 0.90 -1.80 0.64 4.77 -0.77 -1.93 117.00 117.71 3k3e n LEU 294 Ca 0.11 1.14 -0.21 0.00 -0.03 0.00 0.00 56.01 57.02 3k3e n LEU 294 Cb 0.53 -1.11 -0.07 0.00 -2.33 0.00 0.00 43.42 40.44 3k3e n LEU 294 CO 0.01 -1.54 -0.21 -0.67 -1.33 0.00 0.00 177.39 173.64 3k3e n ASP 295 N 2.02 -5.56 -4.70 -1.43 2.03 -0.74 -4.23 116.55 103.94 3k3e n ASP 295 Ca 0.18 0.38 -0.43 0.00 0.52 0.00 0.00 54.79 55.44 3k3e n ASP 295 Cb 0.19 -4.84 -0.01 0.00 -0.72 0.00 0.00 41.12 35.74 3k3e n ASP 295 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 3k3e n HIS 296 N -2.78 2.30 1.20 -0.67 -0.00 -0.81 -4.88 115.22 109.59 3k3e n HIS 296 Ca -0.22 0.51 0.13 0.00 -0.00 0.00 0.00 57.72 58.13 3k3e n HIS 296 Cb 0.68 -2.44 0.31 0.00 -0.00 0.00 0.00 29.99 28.55 3k3e n HIS 296 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3k3e n PRO 297 N 0.99 0.86 0.00 1.57 -0.04 -1.26 -4.56 135.00 132.55 3k3e n PRO 297 Ca 0.06 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 3k3e n PRO 297 Cb 0.35 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3k3e n PRO 297 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k3e n GLY 298 N 1.36 2.18 3.24 0.55 0.00 -1.26 -5.02 105.19 106.23 3k3e n GLY 298 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3k3e n GLY 298 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k3e s TYR 299 N -2.40 2.82 0.88 1.61 1.51 -1.26 -4.75 117.35 115.75 3k3e s TYR 299 Ca 0.00 -1.18 -0.15 0.00 -1.01 0.00 0.00 57.07 54.74 3k3e s TYR 299 Cb 0.00 -1.94 0.22 0.00 -0.11 0.00 0.00 41.96 40.13 3k3e s TYR 299 CO 0.00 -0.58 0.67 0.27 -1.11 0.00 0.00 175.55 174.81 3k3e n ASN 300 N 4.36 -2.38 -0.30 2.29 2.04 -1.26 -4.71 115.26 115.29 3k3e n ASN 300 Ca -0.19 -0.81 -0.04 0.00 -0.44 0.00 0.00 54.58 53.09 3k3e n ASN 300 Cb 0.51 -0.67 0.08 0.00 -2.53 0.00 0.00 39.78 37.17 3k3e n ASN 300 CO 0.00 0.00 0.00 0.78 -0.44 0.00 0.00 177.26 177.60 3k3e h ASN 301 N -2.51 0.98 -0.87 0.53 2.35 -2.00 -2.39 115.58 111.66 3k3e h ASN 301 Ca -0.27 -0.06 0.10 0.00 -0.55 0.00 0.00 56.30 55.52 3k3e h ASN 301 Cb 0.86 -0.25 -0.08 0.00 0.05 0.00 0.00 38.32 38.91 3k3e h ASN 301 CO 0.17 0.75 0.52 0.74 -1.65 0.00 0.00 177.43 177.95 3k3e h THR 302 N 1.13 0.92 0.45 2.81 2.02 -2.00 0.87 112.91 119.11 3k3e h THR 302 Ca 0.30 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3k3e h THR 302 Cb -0.07 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.34 3k3e h THR 302 CO -0.06 0.16 -0.21 0.22 0.37 0.00 0.00 175.52 175.99 3k3e h TYR 303 N 0.86 -0.56 -0.75 3.16 3.20 -1.79 -1.85 116.97 119.24 3k3e h TYR 303 Ca 0.42 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.42 3k3e h TYR 303 Cb 0.38 0.18 -0.14 0.00 1.54 0.00 0.00 36.73 38.69 3k3e h TYR 303 CO -0.05 -0.26 -0.24 1.96 -1.64 0.00 0.00 178.16 177.93 3k3e h GLN 304 N -0.78 -0.04 0.24 1.82 1.08 -0.81 0.55 115.11 117.18 3k3e h GLN 304 Ca -0.06 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3k3e h GLN 304 Cb 0.54 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3k3e h GLN 304 CO 0.10 -0.02 -0.12 0.82 -0.95 0.00 0.00 178.83 178.66 3k3e h ILE 305 N -0.04 0.82 -0.47 2.54 2.04 -0.86 -0.77 117.51 120.77 3k3e h ILE 305 Ca 0.34 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3k3e h ILE 305 Cb 0.56 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3k3e h ILE 305 CO -0.78 0.13 0.24 0.78 0.00 0.00 0.00 178.15 178.51 3k3e h ASN 306 N -0.64 0.58 0.16 1.72 2.35 -0.81 -1.31 115.58 117.63 3k3e h ASN 306 Ca -0.03 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3k3e h ASN 306 Cb 0.46 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3k3e h ASN 306 CO 0.05 0.49 -0.05 0.00 -1.65 0.00 0.00 177.43 176.27 3k3e n ALA 307 N -2.46 2.69 -3.76 -0.83 0.00 0.19 -4.92 120.51 111.41 3k3e n ALA 307 Ca 0.04 -0.29 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 3k3e n ALA 307 Cb 0.11 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.24 3k3e n ALA 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k3e n ARG 308 N -0.68 -3.54 -1.51 0.00 5.12 -0.49 -4.95 116.66 110.61 3k3e n ARG 308 Ca 0.18 0.52 -0.30 0.00 -1.93 0.00 0.00 57.85 56.32 3k3e n ARG 308 Cb 0.25 -4.77 0.08 0.00 -1.16 0.00 0.00 32.46 26.85 3k3e n ARG 308 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3k3e s THR 309 N -3.72 3.47 0.63 0.55 -4.23 -0.38 -4.83 115.64 107.14 3k3e s THR 309 Ca 0.11 0.48 0.43 0.00 -1.18 0.00 0.00 61.69 61.53 3k3e s THR 309 Cb -0.04 -3.18 0.43 0.00 1.34 0.00 0.00 72.50 71.05 3k3e s THR 309 CO 0.84 -0.63 2.32 -0.33 -0.54 0.00 0.00 174.62 176.29 3k3e h GLU 310 N -0.96 0.00 0.00 3.99 5.08 -1.92 -0.73 114.58 120.04 3k3e h GLU 310 Ca -0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3k3e h GLU 310 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3k3e h GLU 310 CO 0.57 0.00 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.50 3k3e h LEU 311 N 0.00 0.00 -1.83 1.33 3.38 -1.92 -2.96 115.31 113.31 3k3e h LEU 311 Ca 0.00 -0.34 0.17 0.00 0.09 0.00 0.00 57.88 57.80 3k3e h LEU 311 Cb 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3k3e h LEU 311 CO 0.00 0.67 0.47 0.00 0.09 0.00 0.00 178.44 179.67 3k3e h ALA 312 N -0.66 2.40 -0.03 1.53 0.00 -1.61 -1.13 119.26 119.76 3k3e h ALA 312 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3k3e h ALA 312 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3k3e h ALA 312 CO -0.00 -0.59 -0.15 0.28 0.00 0.00 0.00 179.25 178.79 3k3e h VAL 313 N 0.16 1.48 -0.46 0.00 2.07 -1.27 0.68 116.25 118.91 3k3e h VAL 313 Ca 0.33 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 3k3e h VAL 313 Cb 1.06 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 3k3e h VAL 313 CO -0.05 0.45 0.16 -0.09 0.02 0.00 0.00 177.57 178.06 3k3e h ARG 314 N -0.43 0.66 -0.52 1.57 2.43 -1.10 -2.86 114.38 114.12 3k3e h ARG 314 Ca -0.01 -0.10 -0.19 0.00 -0.81 0.00 0.00 59.98 58.87 3k3e h ARG 314 Cb 0.81 -0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 30.13 3k3e h ARG 314 CO 0.03 0.56 0.13 0.66 -1.51 0.00 0.00 179.97 179.84 3k3e n TYR 315 N -4.35 1.68 -4.13 2.20 4.01 -0.53 -4.97 117.16 111.07 3k3e n TYR 315 Ca 0.03 -1.35 -0.28 0.00 -0.16 0.00 0.00 57.90 56.14 3k3e n TYR 315 Cb 0.17 -0.56 -0.09 0.00 -0.31 0.00 0.00 39.34 38.55 3k3e n TYR 315 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3k3e n ASN 316 N -0.72 0.69 -1.52 7.72 3.02 -0.98 0.39 115.26 123.86 3k3e n ASN 316 Ca 0.36 -1.14 -0.16 0.00 -0.03 0.00 0.00 54.58 53.60 3k3e n ASN 316 Cb 1.18 -1.42 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 3k3e n ASN 316 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3k3e n ASP 317 N -2.52 -4.29 -4.38 6.41 8.00 0.20 -4.94 116.55 115.03 3k3e n ASP 317 Ca -0.27 0.38 -0.41 0.00 0.71 0.00 0.00 54.79 55.21 3k3e n ASP 317 Cb 0.61 -3.88 -0.11 0.00 -0.02 0.00 0.00 41.12 37.72 3k3e n ASP 317 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k3e s ILE 318 N -2.39 4.61 -0.56 0.53 1.01 0.16 -4.69 121.20 119.86 3k3e s ILE 318 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 3k3e s ILE 318 Cb 0.00 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.90 3k3e s ILE 318 CO 0.00 -0.25 0.08 -1.20 0.00 0.00 0.00 174.94 173.57 3k3e n SER 319 N 5.01 -0.21 -0.26 3.58 7.64 -1.26 -4.77 113.62 123.34 3k3e n SER 319 Ca -0.12 -0.50 0.06 0.00 1.01 0.00 0.00 58.87 59.33 3k3e n SER 319 Cb 0.46 -0.61 0.20 0.00 -1.01 0.00 0.00 64.21 63.24 3k3e n SER 319 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3k3e h PRO 320 N 0.21 0.32 0.67 1.43 0.13 -1.84 -0.13 132.00 132.79 3k3e h PRO 320 Ca -0.26 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 3k3e h PRO 320 Cb 0.54 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.61 3k3e h PRO 320 CO 0.25 0.21 -0.32 -0.07 -0.23 0.00 0.00 178.00 177.84 3k3e h LEU 321 N 0.33 -0.76 -0.59 1.56 3.38 -1.94 -1.02 115.31 116.27 3k3e h LEU 321 Ca 0.43 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.50 3k3e h LEU 321 Cb 0.72 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 3k3e h LEU 321 CO -0.48 -0.45 0.16 -0.33 0.09 0.00 0.00 178.44 177.42 3k3e h GLU 322 N -1.05 0.29 -0.47 1.13 3.07 -1.84 0.11 114.58 115.82 3k3e h GLU 322 Ca -0.09 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.80 3k3e h GLU 322 Cb 0.72 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.52 3k3e h GLU 322 CO 0.15 0.19 0.20 -0.91 -1.40 0.00 0.00 179.01 177.25 3k3e h ASN 323 N 0.30 0.25 -0.72 1.42 2.35 -0.98 -1.98 115.58 116.23 3k3e h ASN 323 Ca 0.31 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 3k3e h ASN 323 Cb 0.43 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 3k3e h ASN 323 CO -0.37 0.18 0.36 -0.74 -1.65 0.00 0.00 177.43 175.21 3k3e h HIS 324 N 0.40 1.02 -0.18 1.19 2.76 0.42 -1.43 115.15 119.33 3k3e h HIS 324 Ca 0.22 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 3k3e h HIS 324 Cb 0.18 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 3k3e h HIS 324 CO -0.13 0.74 0.05 0.45 -1.30 0.00 0.00 177.93 177.74 3k3e h HIS 325 N 1.00 0.09 -0.90 5.26 3.86 -0.42 -1.71 115.15 122.33 3k3e h HIS 325 Ca 0.25 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.52 3k3e h HIS 325 Cb 0.10 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 3k3e h HIS 325 CO 0.00 0.04 0.57 0.00 0.86 0.00 0.00 177.93 179.41 3k3e h ALA 327 N 1.39 0.43 -0.92 0.00 0.00 -0.82 -2.30 119.26 117.05 3k3e h ALA 327 Ca 0.37 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3k3e h ALA 327 Cb 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3k3e h ALA 327 CO -0.14 0.09 0.56 0.28 0.00 0.00 0.00 179.25 180.03 3k3e h VAL 328 N 0.37 1.25 -0.90 0.00 2.07 -0.82 -0.13 116.25 118.09 3k3e h VAL 328 Ca 0.10 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.17 3k3e h VAL 328 Cb 0.28 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 3k3e h VAL 328 CO -0.00 0.26 0.59 0.00 0.02 0.00 0.00 177.57 178.43 3k3e h ALA 329 N 1.35 1.55 0.00 1.67 0.00 -0.66 -1.21 119.26 121.96 3k3e h ALA 329 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3k3e h ALA 329 Cb -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3k3e h ALA 329 CO -0.06 0.29 -0.70 0.74 0.00 0.00 0.00 179.25 179.52 3k3e h PHE 330 N 0.98 0.00 -0.05 0.00 0.04 -0.74 -2.84 116.94 114.34 3k3e h PHE 330 Ca 0.40 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.96 3k3e h PHE 330 Cb 0.28 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 3k3e h PHE 330 CO -0.00 0.00 -0.83 1.96 -0.60 0.00 0.00 178.31 178.84 3k3e h GLN 331 N 0.00 0.43 0.54 1.51 4.20 -0.41 -1.94 115.11 119.43 3k3e h GLN 331 Ca 0.00 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.28 3k3e h GLN 331 Cb 0.79 0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.67 3k3e h GLN 331 CO 0.00 1.05 -0.26 0.82 -0.67 0.00 0.00 178.83 179.77 3k3e h ILE 332 N 0.27 0.41 0.00 2.54 2.04 -1.27 -2.19 117.51 119.32 3k3e h ILE 332 Ca -0.05 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3k3e h ILE 332 Cb 1.44 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3k3e h ILE 332 CO 0.14 0.04 0.00 0.18 0.00 0.00 0.00 178.15 178.51 3k3e n LEU 333 N -5.34 0.12 0.06 1.44 4.77 -1.07 -1.15 117.00 115.83 3k3e n LEU 333 Ca -0.12 0.56 -0.15 0.00 -0.03 0.00 0.00 56.01 56.27 3k3e n LEU 333 Cb 0.32 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 3k3e n LEU 333 CO 0.34 -0.59 0.18 0.00 -1.33 0.00 0.00 177.39 175.98 3k3e h ALA 334 N 2.01 0.33 -1.96 -1.18 0.00 -0.68 -3.38 119.26 114.39 3k3e h ALA 334 Ca 0.00 -0.70 -0.57 0.00 0.00 0.00 0.00 54.91 53.64 3k3e h ALA 334 Cb 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3k3e h ALA 334 CO 0.00 0.78 1.16 -1.21 0.00 0.00 0.00 179.25 179.98 3k3e s GLU 335 N -3.32 3.64 0.49 0.00 0.41 -0.30 -4.87 118.70 114.75 3k3e s GLU 335 Ca -0.07 1.51 0.37 0.00 -0.41 0.00 0.00 54.97 56.37 3k3e s GLU 335 Cb 0.09 -4.08 1.53 0.00 -1.78 0.00 0.00 34.13 29.88 3k3e s GLU 335 CO 0.88 -1.48 1.65 -1.00 -0.49 0.00 0.00 175.26 174.82 3k3e h PRO 336 N 11.30 0.06 0.00 0.39 0.13 -1.86 0.10 132.00 142.13 3k3e h PRO 336 Ca -0.33 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 3k3e h PRO 336 Cb 1.15 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3k3e h PRO 336 CO 1.02 0.04 -0.41 1.05 -0.23 0.00 0.00 178.00 179.47 3k3e h GLU 337 N 0.07 0.00 -0.00 0.86 4.11 -1.92 -3.04 114.58 114.65 3k3e h GLU 337 Ca 0.79 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.22 3k3e h GLU 337 Cb 2.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.06 3k3e h GLU 337 CO -0.20 0.41 -0.80 0.00 0.07 0.00 0.00 179.01 178.49 3k3e s ASN 339 N -2.65 4.39 0.00 0.00 2.47 -0.61 -4.43 114.94 114.10 3k3e s ASN 339 Ca 0.08 -0.75 0.05 0.00 0.42 0.00 0.00 52.86 52.66 3k3e s ASN 339 Cb 0.14 -2.57 0.27 0.00 -1.45 0.00 0.00 41.25 37.64 3k3e s ASN 339 CO 0.71 -3.58 0.75 2.30 -3.72 0.00 0.00 177.10 173.56 3k3e n ILE 340 N 8.38 0.00 0.31 -5.21 -5.35 -1.26 -2.42 119.36 113.80 3k3e n ILE 340 Ca 0.43 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.96 3k3e n ILE 340 Cb 0.46 -0.39 0.05 0.00 -1.74 0.00 0.00 39.64 38.02 3k3e n ILE 340 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3k3e n PHE 341 N -0.64 0.06 -0.29 4.28 3.72 -1.26 -4.74 117.46 118.59 3k3e n PHE 341 Ca 0.03 -0.08 0.01 0.00 -0.05 0.00 0.00 57.45 57.36 3k3e n PHE 341 Cb 0.02 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.60 3k3e n PHE 341 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3k3e n SER 342 N 0.50 -0.43 -1.13 4.37 7.64 -1.02 -0.06 113.62 123.49 3k3e n SER 342 Ca 0.06 1.31 -0.02 0.00 1.01 0.00 0.00 58.87 61.24 3k3e n SER 342 Cb 0.26 -0.33 0.10 0.00 -1.01 0.00 0.00 64.21 63.24 3k3e n SER 342 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3k3e n ASN 343 N -5.15 2.82 -4.46 6.43 3.02 -1.26 -4.77 115.26 111.89 3k3e n ASN 343 Ca 0.09 -2.39 -0.33 0.00 -0.03 0.00 0.00 54.58 51.92 3k3e n ASN 343 Cb 0.32 -0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 38.78 3k3e n ASN 343 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3k3e s ILE 344 N -1.36 3.56 0.49 2.41 1.01 0.91 -4.79 121.20 123.44 3k3e s ILE 344 Ca 0.18 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 3k3e s ILE 344 Cb 0.14 -2.53 -0.07 0.00 0.01 0.00 0.00 42.46 40.01 3k3e s ILE 344 CO 0.04 0.52 1.36 -0.81 0.00 0.00 0.00 174.94 176.05 3k3e n PRO 345 N 3.38 1.91 -0.32 2.79 -0.04 -1.26 -4.68 135.00 136.78 3k3e n PRO 345 Ca -0.18 0.69 0.24 0.00 -0.04 0.00 0.00 63.50 64.22 3k3e n PRO 345 Cb 0.53 -2.55 0.46 0.00 -0.04 0.00 0.00 33.50 31.90 3k3e n PRO 345 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3k3e h PRO 346 N 1.82 0.10 -0.35 0.54 0.13 -1.96 0.29 132.00 132.58 3k3e h PRO 346 Ca -0.50 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 3k3e h PRO 346 Cb 1.29 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 3k3e h PRO 346 CO 0.59 0.07 -0.05 -0.44 -0.23 0.00 0.00 178.00 177.94 3k3e h ASP 347 N 0.11 0.53 0.34 1.44 3.45 -2.00 -0.29 116.42 120.00 3k3e h ASP 347 Ca 0.74 -0.12 -0.20 0.00 0.43 0.00 0.00 57.03 57.87 3k3e h ASP 347 Cb 1.77 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 40.39 3k3e h ASP 347 CO -0.75 0.64 -0.83 1.23 -1.57 0.00 0.00 179.24 177.96 3k3e h GLY 348 N 0.90 0.41 0.90 2.75 0.00 -0.82 -2.77 103.07 104.44 3k3e h GLY 348 Ca 0.11 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 3k3e h GLY 348 CO 0.02 0.58 0.10 -2.75 0.00 0.00 0.00 176.54 174.49 3k3e h PHE 349 N 0.23 0.39 -0.46 5.60 3.57 -0.79 -1.40 116.94 124.08 3k3e h PHE 349 Ca -0.05 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.48 3k3e h PHE 349 Cb 1.44 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 40.01 3k3e h PHE 349 CO 0.05 0.41 0.15 0.87 -2.23 0.00 0.00 178.31 177.56 3k3e h LYS 350 N 0.26 0.31 -0.87 1.11 1.57 -1.03 0.91 116.57 118.83 3k3e h LYS 350 Ca 0.08 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3k3e h LYS 350 Cb 0.19 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3k3e h LYS 350 CO -0.01 0.20 0.44 0.37 -0.57 0.00 0.00 179.45 179.88 3k3e h GLN 351 N 0.32 1.23 -0.36 3.15 4.15 -1.29 -1.88 115.11 120.43 3k3e h GLN 351 Ca 0.22 -0.17 -0.15 0.00 0.77 0.00 0.00 58.65 59.31 3k3e h GLN 351 Cb 0.23 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3k3e h GLN 351 CO -0.23 0.93 -0.38 0.82 -1.93 0.00 0.00 178.83 178.04 3k3e h ILE 352 N 1.23 1.28 -0.14 2.39 2.04 -0.52 -2.48 117.51 121.30 3k3e h ILE 352 Ca 0.30 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 3k3e h ILE 352 Cb 0.09 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3k3e h ILE 352 CO -0.04 0.51 0.06 -0.09 0.00 0.00 0.00 178.15 178.59 3k3e h ARG 353 N 0.70 0.21 -0.56 2.37 2.43 -0.68 -0.98 114.38 117.86 3k3e h ARG 353 Ca 0.05 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3k3e h ARG 353 Cb 0.97 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 3k3e h ARG 353 CO 0.09 0.30 0.28 0.37 -1.51 0.00 0.00 179.97 179.50 3k3e h GLN 354 N 0.08 0.79 -0.33 0.20 4.15 -1.37 -1.53 115.11 117.10 3k3e h GLN 354 Ca 0.05 -0.09 -0.17 0.00 0.77 0.00 0.00 58.65 59.21 3k3e h GLN 354 Cb 0.16 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 3k3e h GLN 354 CO -0.00 0.60 -0.46 0.78 -1.93 0.00 0.00 178.83 177.82 3k3e h GLY 355 N 0.88 0.98 0.93 2.39 0.00 -1.19 -2.41 103.07 104.65 3k3e h GLY 355 Ca 0.20 -1.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.43 3k3e h GLY 355 CO -0.03 0.96 0.12 -0.33 0.00 0.00 0.00 176.54 177.26 3k3e h MET 356 N 0.69 0.60 -0.63 4.80 2.86 -0.85 -1.62 114.93 120.78 3k3e h MET 356 Ca 0.04 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3k3e h MET 356 Cb 1.06 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 3k3e h MET 356 CO 0.11 0.61 0.38 0.82 1.06 0.00 0.00 176.91 179.89 3k3e h ILE 357 N 0.47 1.07 -0.07 -1.22 2.04 -1.27 0.22 117.51 118.75 3k3e h ILE 357 Ca 0.12 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3k3e h ILE 357 Cb 0.26 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3k3e h ILE 357 CO -0.00 0.14 0.04 0.74 0.00 0.00 0.00 178.15 179.07 3k3e h THR 358 N 0.75 1.03 -0.67 -0.27 2.02 -1.28 -1.42 112.91 113.07 3k3e h THR 358 Ca 0.25 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 3k3e h THR 358 Cb 0.03 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3k3e h THR 358 CO -0.11 0.03 0.15 -0.07 0.37 0.00 0.00 175.52 175.89 3k3e h LEU 359 N 0.08 1.03 -0.38 2.58 3.38 -0.76 -1.48 115.31 119.75 3k3e h LEU 359 Ca 0.03 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.61 3k3e h LEU 359 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3k3e h LEU 359 CO -0.01 1.00 -0.31 0.40 0.09 0.00 0.00 178.44 179.62 3k3e h ILE 360 N 1.01 1.28 0.00 1.22 2.04 -0.48 -2.61 117.51 119.97 3k3e h ILE 360 Ca 0.21 -1.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.54 3k3e h ILE 360 Cb 0.39 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3k3e h ILE 360 CO 0.01 0.49 -0.26 -0.07 0.00 0.00 0.00 178.15 178.32 3k3e h LEU 361 N 0.69 0.00 0.00 1.44 3.38 -1.22 -2.42 115.31 117.19 3k3e h LEU 361 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3k3e h LEU 361 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3k3e h LEU 361 CO 0.08 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.87 3k3e n ALA 362 N -2.30 1.81 0.49 1.53 0.00 -0.56 -2.51 120.51 118.96 3k3e n ALA 362 Ca -0.01 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.49 3k3e n ALA 362 Cb 0.39 -1.27 0.32 0.00 0.00 0.00 0.00 19.45 18.89 3k3e n ALA 362 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3k3e h THR 363 N 0.00 0.00 -2.35 0.00 1.35 -1.40 -3.44 112.91 107.07 3k3e h THR 363 Ca 0.00 -0.65 -0.55 0.00 -0.55 0.00 0.00 66.41 64.65 3k3e h THR 363 Cb 0.24 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3k3e h THR 363 CO 0.00 0.00 1.27 -0.62 -0.25 0.00 0.00 175.52 175.92 3k3e s ASP 364 N -5.08 6.20 0.45 5.36 -1.08 -1.04 -4.84 116.67 116.64 3k3e s ASP 364 Ca 0.09 2.28 0.31 0.00 -0.52 0.00 0.00 52.55 54.71 3k3e s ASP 364 Cb 0.10 -2.53 1.48 0.00 -1.46 0.00 0.00 42.92 40.51 3k3e s ASP 364 CO 0.63 -1.31 1.93 0.24 0.52 0.00 0.00 175.17 177.18 3k3e h MET 365 N 11.67 0.00 -0.09 4.34 2.86 -1.91 -2.52 114.93 129.27 3k3e h MET 365 Ca -0.44 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.23 3k3e h MET 365 Cb 1.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 3k3e h MET 365 CO 0.96 0.00 0.09 0.00 1.06 0.00 0.00 176.91 179.01 3k3e h ALA 366 N 2.07 1.82 -0.65 6.32 0.00 -1.96 0.81 119.26 127.67 3k3e h ALA 366 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k3e h ALA 366 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3k3e h ALA 366 CO 0.00 -0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.66 3k3e n ARG 367 N -4.08 3.62 -0.15 0.00 1.74 -0.95 -4.64 116.66 112.20 3k3e n ARG 367 Ca -0.01 -2.80 -0.07 0.00 -0.77 0.00 0.00 57.85 54.20 3k3e n ARG 367 Cb 0.19 -1.87 0.01 0.00 -1.02 0.00 0.00 32.46 29.78 3k3e n ARG 367 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3k3e h HIS 368 N 4.05 0.58 0.06 -1.55 2.76 -0.97 -1.82 115.15 118.27 3k3e h HIS 368 Ca 0.00 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3k3e h HIS 368 Cb 1.40 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.17 3k3e h HIS 368 CO 0.74 0.37 -0.03 0.00 -1.30 0.00 0.00 177.93 177.71 3k3e h ALA 369 N 1.17 -0.09 -0.47 5.26 0.00 -1.82 -1.34 119.26 121.97 3k3e h ALA 369 Ca 0.17 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3k3e h ALA 369 Cb -0.07 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 3k3e h ALA 369 CO -0.04 -0.36 -0.30 1.49 0.00 0.00 0.00 179.25 180.05 3k3e h GLU 370 N -0.47 -0.19 -0.71 0.00 4.81 -1.87 0.62 114.58 116.78 3k3e h GLU 370 Ca -0.01 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 3k3e h GLU 370 Cb 0.41 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3k3e h GLU 370 CO 0.01 -0.12 0.21 0.82 -0.73 0.00 0.00 179.01 179.20 3k3e h ILE 371 N -0.19 1.26 -0.38 2.32 2.04 -1.32 -1.70 117.51 119.53 3k3e h ILE 371 Ca 0.20 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 3k3e h ILE 371 Cb 0.52 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3k3e h ILE 371 CO -0.58 0.35 -0.08 0.24 0.00 0.00 0.00 178.15 178.08 3k3e h MET 372 N 1.05 0.65 0.40 2.37 2.86 -0.44 -1.22 114.93 120.60 3k3e h MET 372 Ca 0.23 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3k3e h MET 372 Cb 0.31 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3k3e h MET 372 CO -0.01 0.73 -0.19 -0.44 1.06 0.00 0.00 176.91 178.06 3k3e h ASP 373 N 0.60 -0.45 -0.69 1.22 3.32 -0.56 0.62 116.42 120.48 3k3e h ASP 373 Ca 0.11 -0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.24 3k3e h ASP 373 Cb 0.51 0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.08 3k3e h ASP 373 CO 0.03 -0.23 0.21 0.28 -1.72 0.00 0.00 179.24 177.80 3k3e h SER 374 N -0.66 0.11 -0.17 6.45 0.02 -1.12 0.13 113.55 118.31 3k3e h SER 374 Ca -0.05 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3k3e h SER 374 Cb 0.48 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 3k3e h SER 374 CO 0.09 0.04 -0.07 0.15 -1.14 0.00 0.00 176.83 175.90 3k3e h PHE 375 N 0.33 0.40 -0.26 3.45 3.57 -1.10 -2.59 116.94 120.74 3k3e h PHE 375 Ca 0.38 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 3k3e h PHE 375 Cb 0.58 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3k3e h PHE 375 CO -0.22 0.64 0.04 0.87 -2.23 0.00 0.00 178.31 177.41 3k3e h LYS 376 N 0.04 0.38 -0.53 1.11 1.57 -0.20 -1.00 116.57 117.94 3k3e h LYS 376 Ca 0.04 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 3k3e h LYS 376 Cb 0.53 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3k3e h LYS 376 CO 0.02 0.37 0.03 1.49 -0.57 0.00 0.00 179.45 180.80 3k3e h GLU 377 N 0.37 0.87 0.00 3.15 4.81 -0.66 -2.39 114.58 120.73 3k3e h GLU 377 Ca 0.09 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 3k3e h GLU 377 Cb 0.18 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3k3e h GLU 377 CO -0.00 0.85 -0.40 0.87 -0.73 0.00 0.00 179.01 179.60 3k3e h LYS 378 N 0.82 0.00 0.00 1.92 1.79 -0.90 -3.20 116.57 117.00 3k3e h LYS 378 Ca 0.16 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 3k3e h LYS 378 Cb 0.44 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3k3e h LYS 378 CO 0.02 0.40 -0.16 1.98 -1.08 0.00 0.00 179.45 180.60 3k3e h MET 379 N 0.00 0.00 0.00 3.15 4.05 -0.69 -2.57 114.93 118.87 3k3e h MET 379 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3k3e h MET 379 Cb 1.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.90 3k3e h MET 379 CO 0.05 0.16 0.15 0.39 0.23 0.00 0.00 176.91 177.89 3k3e n GLU 380 N -4.15 0.00 0.00 0.39 1.02 -1.19 -3.28 120.64 113.43 3k3e n GLU 380 Ca -0.02 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3k3e n GLU 380 Cb 0.24 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3k3e n GLU 380 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3k3e n ASN 381 N -1.17 0.00 -4.77 1.62 4.05 -1.03 -5.16 115.26 108.80 3k3e n ASN 381 Ca 0.00 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.64 3k3e n ASN 381 Cb 0.15 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.15 3k3e n ASN 381 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 3k3e s PHE 382 N 0.00 2.98 -0.31 1.20 5.36 -1.00 -4.99 117.98 121.23 3k3e s PHE 382 Ca 0.00 1.51 -0.00 0.00 -0.96 0.00 0.00 56.93 57.48 3k3e s PHE 382 Cb 0.00 -3.49 0.10 0.00 -0.34 0.00 0.00 43.02 39.29 3k3e s PHE 382 CO 0.00 -1.58 0.08 0.34 -1.46 0.00 0.00 175.22 172.60 3k3e s ASP 383 N -1.00 4.09 0.03 6.13 3.68 -1.26 -4.97 116.67 123.37 3k3e s ASP 383 Ca 0.57 -1.66 0.02 0.00 2.13 0.00 0.00 52.55 53.61 3k3e s ASP 383 Cb -0.33 -0.97 0.11 0.00 -1.45 0.00 0.00 42.92 40.28 3k3e s ASP 383 CO 0.42 -0.40 1.03 -1.22 0.13 0.00 0.00 175.17 175.13 3k3e n TYR 384 N 4.77 0.07 0.82 -5.34 4.02 -1.26 -0.21 117.16 120.03 3k3e n TYR 384 Ca -0.02 0.04 0.09 0.00 -0.01 0.00 0.00 57.90 58.00 3k3e n TYR 384 Cb 0.42 -0.52 0.02 0.00 -0.02 0.00 0.00 39.34 39.24 3k3e n TYR 384 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3k3e n SER 385 N -1.54 2.03 -4.54 7.72 3.41 -1.26 -4.85 113.62 114.59 3k3e n SER 385 Ca -0.00 -1.51 -0.43 0.00 -0.26 0.00 0.00 58.87 56.67 3k3e n SER 385 Cb 0.04 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 3k3e n SER 385 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3k3e s ASN 386 N -1.97 6.40 0.26 4.04 3.04 0.71 -4.94 114.94 122.48 3k3e s ASN 386 Ca 0.17 -0.12 -0.01 0.00 0.04 0.00 0.00 52.86 52.94 3k3e s ASN 386 Cb 0.15 -2.36 0.57 0.00 -1.54 0.00 0.00 41.25 38.07 3k3e s ASN 386 CO 0.40 -0.83 1.69 -0.08 -3.04 0.00 0.00 177.10 175.24 3k3e h GLU 387 N 8.86 0.33 -0.14 0.43 4.81 -1.89 0.20 114.58 127.18 3k3e h GLU 387 Ca -0.25 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.86 3k3e h GLU 387 Cb 1.09 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3k3e h GLU 387 CO 0.92 0.22 -0.34 1.49 -0.73 0.00 0.00 179.01 180.58 3k3e h GLU 388 N 0.34 0.29 -0.54 1.92 4.81 -1.94 -1.27 114.58 118.19 3k3e h GLU 388 Ca 0.47 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 3k3e h GLU 388 Cb 0.84 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 3k3e h GLU 388 CO -0.51 0.60 0.14 0.45 -0.73 0.00 0.00 179.01 178.95 3k3e h HIS 389 N 0.25 0.90 -0.11 0.92 3.86 -0.95 -2.90 115.15 117.13 3k3e h HIS 389 Ca 0.03 -0.11 -0.14 0.00 -1.16 0.00 0.00 60.37 58.99 3k3e h HIS 389 Cb 0.72 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3k3e h HIS 389 CO 0.01 0.79 -0.56 0.52 0.86 0.00 0.00 177.93 179.55 3k3e h MET 390 N 0.76 0.32 -0.56 2.45 2.86 -0.91 -2.51 114.93 117.35 3k3e h MET 390 Ca 0.17 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 3k3e h MET 390 Cb 0.33 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3k3e h MET 390 CO 0.00 0.80 0.11 1.15 1.06 0.00 0.00 176.91 180.03 3k3e h THR 391 N 0.25 1.24 -0.14 2.22 2.02 -1.11 -0.56 112.91 116.83 3k3e h THR 391 Ca 0.00 -0.89 -0.21 0.00 0.77 0.00 0.00 66.41 66.08 3k3e h THR 391 Cb 1.07 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3k3e h THR 391 CO 0.09 0.33 -0.75 -0.07 0.37 0.00 0.00 175.52 175.49 3k3e h LEU 392 N 0.84 0.81 -1.15 2.58 3.38 -1.48 -2.04 115.31 118.24 3k3e h LEU 392 Ca 0.18 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3k3e h LEU 392 Cb 0.35 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3k3e h LEU 392 CO 0.00 1.30 0.30 0.25 0.09 0.00 0.00 178.44 180.38 3k3e h LEU 393 N 0.47 0.80 -0.57 1.67 5.85 -1.08 0.88 115.31 123.34 3k3e h LEU 393 Ca -0.04 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.44 3k3e h LEU 393 Cb 1.36 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3k3e h LEU 393 CO 0.15 0.69 -0.58 0.11 -0.34 0.00 0.00 178.44 178.46 3k3e h LYS 394 N 0.89 0.42 -0.63 1.25 1.57 -1.02 0.06 116.57 119.11 3k3e h LYS 394 Ca 0.22 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3k3e h LYS 394 Cb 0.10 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3k3e h LYS 394 CO -0.03 0.88 0.04 0.52 -0.57 0.00 0.00 179.45 180.29 3k3e h MET 395 N 0.32 1.09 -0.48 3.15 2.86 -0.65 -2.30 114.93 118.92 3k3e h MET 395 Ca -0.00 -0.33 -0.11 0.00 -2.06 0.00 0.00 59.70 57.20 3k3e h MET 395 Cb 1.11 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 3k3e h MET 395 CO 0.10 1.04 -0.15 0.82 1.06 0.00 0.00 176.91 179.78 3k3e h ILE 396 N 1.01 1.27 -0.22 -1.22 1.08 -0.62 -1.76 117.51 117.04 3k3e h ILE 396 Ca 0.18 -1.29 -0.02 0.00 -0.39 0.00 0.00 64.86 63.34 3k3e h ILE 396 Cb 0.52 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 3k3e h ILE 396 CO 0.02 0.45 0.06 -0.07 -0.69 0.00 0.00 178.15 177.92 3k3e h LEU 397 N 0.79 0.33 -0.91 1.44 3.38 -0.82 0.12 115.31 119.65 3k3e h LEU 397 Ca 0.12 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3k3e h LEU 397 Cb 0.71 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3k3e h LEU 397 CO 0.05 0.47 -0.47 -0.29 0.09 0.00 0.00 178.44 178.29 3k3e h ILE 398 N 0.18 1.34 -0.57 1.22 2.10 -1.45 -1.70 117.51 118.62 3k3e h ILE 398 Ca 0.07 -1.66 -0.08 0.00 1.08 0.00 0.00 64.86 64.27 3k3e h ILE 398 Cb 0.26 1.81 -0.02 0.00 -1.09 0.00 0.00 36.82 37.78 3k3e h ILE 398 CO -0.00 0.49 0.05 0.11 -1.08 0.00 0.00 178.15 177.72 3k3e h LYS 399 N 0.14 0.98 -0.05 2.19 1.57 -1.10 -1.39 116.57 118.90 3k3e h LYS 399 Ca 0.01 -0.28 0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3k3e h LYS 399 Cb 0.89 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 3k3e h LYS 399 CO 0.07 0.95 -0.06 0.00 -0.57 0.00 0.00 179.45 179.84 3k3e h ASP 402 N 1.22 0.00 -0.02 0.00 3.58 -1.03 -2.79 116.42 117.39 3k3e h ASP 402 Ca 0.30 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.65 3k3e h ASP 402 Cb 0.11 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 40.96 3k3e h ASP 402 CO -0.04 0.01 -0.77 2.30 -2.88 0.00 0.00 179.24 177.87 3k3e n ILE 403 N -3.14 1.17 1.29 2.25 -5.35 -1.11 -4.84 119.36 109.63 3k3e n ILE 403 Ca -0.01 -2.21 0.09 0.00 -0.27 0.00 0.00 62.75 60.35 3k3e n ILE 403 Cb 0.19 0.35 0.35 0.00 -1.74 0.00 0.00 39.64 38.79 3k3e n ILE 403 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3k3e n SER 404 N -0.35 1.44 -0.27 7.28 3.41 -0.80 -4.52 113.62 119.81 3k3e n SER 404 Ca 0.13 -1.72 0.08 0.00 -0.26 0.00 0.00 58.87 57.10 3k3e n SER 404 Cb 0.91 -0.11 0.20 0.00 -0.26 0.00 0.00 64.21 64.96 3k3e n SER 404 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3k3e h ASN 405 N 1.84 -0.23 0.13 4.04 2.35 -1.88 0.16 115.58 121.99 3k3e h ASN 405 Ca 0.00 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3k3e h ASN 405 Cb 0.41 0.32 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3k3e h ASN 405 CO 0.00 -0.17 0.00 -0.62 -1.65 0.00 0.00 177.43 174.99 3k3e n GLU 406 N -5.31 0.09 0.05 0.81 -0.58 -1.26 -1.61 120.64 112.83 3k3e n GLU 406 Ca 0.16 0.23 -0.06 0.00 -0.42 0.00 0.00 57.16 57.07 3k3e n GLU 406 Cb 0.55 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.81 3k3e n GLU 406 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3k3e h VAL 407 N 0.00 1.42 -4.11 2.62 2.07 -1.00 -3.38 116.25 113.87 3k3e h VAL 407 Ca 0.00 -3.10 -0.48 0.00 0.82 0.00 0.00 66.70 63.95 3k3e h VAL 407 Cb 0.06 2.69 0.14 0.00 -1.52 0.00 0.00 31.29 32.66 3k3e h VAL 407 CO 0.00 0.81 0.27 -0.13 0.02 0.00 0.00 177.57 178.53 3k3e s ARG 408 N -2.73 1.29 0.38 1.57 0.52 -0.64 -4.77 118.95 114.57 3k3e s ARG 408 Ca 0.00 0.66 -0.27 0.00 -0.52 0.00 0.00 55.73 55.60 3k3e s ARG 408 Cb 0.09 -1.82 -0.11 0.00 0.52 0.00 0.00 34.95 33.63 3k3e s ARG 408 CO 0.81 -2.18 1.33 -2.30 0.02 0.00 0.00 175.30 172.98 3k3e n PRO 409 N -3.82 2.17 -0.34 3.54 -0.02 -1.26 -4.55 135.00 130.72 3k3e n PRO 409 Ca 0.07 0.77 0.29 0.00 -2.02 0.00 0.00 63.50 62.60 3k3e n PRO 409 Cb 0.56 -2.42 0.55 0.00 -0.02 0.00 0.00 33.50 32.18 3k3e n PRO 409 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3k3e h MET 410 N 2.47 0.14 -0.71 -0.52 2.86 -1.93 0.49 114.93 117.74 3k3e h MET 410 Ca -0.48 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.09 3k3e h MET 410 Cb 1.28 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 3k3e h MET 410 CO 0.62 0.10 0.19 0.93 1.06 0.00 0.00 176.91 179.80 3k3e h GLU 411 N 0.15 1.11 0.16 1.72 3.07 -2.01 -2.28 114.58 116.50 3k3e h GLU 411 Ca 0.80 -0.25 -0.30 0.00 -0.50 0.00 0.00 59.36 59.11 3k3e h GLU 411 Cb 2.05 -0.15 0.02 0.00 -0.84 0.00 0.00 28.75 29.83 3k3e h GLU 411 CO -0.65 0.97 -1.30 0.28 -1.40 0.00 0.00 179.01 176.90 3k3e h VAL 412 N 1.06 1.38 -0.02 3.13 2.07 -0.50 -3.39 116.25 119.98 3k3e h VAL 412 Ca 0.22 -2.77 -0.00 0.00 0.82 0.00 0.00 66.70 64.97 3k3e h VAL 412 Cb 0.34 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 3k3e h VAL 412 CO -0.00 0.82 -0.01 0.00 0.02 0.00 0.00 177.57 178.41 3k3e h ALA 413 N 0.39 0.02 -0.37 1.67 0.00 -0.71 -3.37 119.26 116.89 3k3e h ALA 413 Ca -0.18 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.60 3k3e h ALA 413 Cb 2.00 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.70 3k3e h ALA 413 CO 0.23 -0.27 -0.26 0.93 0.00 0.00 0.00 179.25 179.88 3k3e h GLU 414 N -0.35 -0.20 -1.05 0.00 5.08 -1.60 -1.76 114.58 114.70 3k3e h GLU 414 Ca 0.00 0.01 0.28 0.00 -1.00 0.00 0.00 59.36 58.66 3k3e h GLU 414 Cb 0.41 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.62 3k3e h GLU 414 CO 0.00 -0.13 0.70 -1.00 -1.00 0.00 0.00 179.01 177.58 3k3e h PRO 415 N -0.20 0.30 -0.41 2.33 0.13 -1.78 -0.72 132.00 131.65 3k3e h PRO 415 Ca 0.18 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 3k3e h PRO 415 Cb 0.49 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 3k3e h PRO 415 CO -0.49 0.20 0.17 -1.49 -0.23 0.00 0.00 178.00 176.16 3k3e h TRP 416 N 0.31 0.61 -0.27 1.56 4.06 -1.50 -0.95 115.95 119.76 3k3e h TRP 416 Ca 0.58 -0.04 0.03 0.00 2.06 0.00 0.00 58.89 61.52 3k3e h TRP 416 Cb 1.64 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 29.60 3k3e h TRP 416 CO -0.00 0.54 0.18 0.28 -3.56 0.00 0.00 178.44 175.88 3k3e h VAL 417 N 0.52 0.98 0.12 1.49 2.07 -1.11 0.48 116.25 120.80 3k3e h VAL 417 Ca 0.14 -0.08 -0.28 0.00 0.82 0.00 0.00 66.70 67.30 3k3e h VAL 417 Cb 0.18 0.74 0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3k3e h VAL 417 CO -0.01 0.04 -1.22 -0.78 0.02 0.00 0.00 177.57 175.62 3k3e h ASP 418 N 0.22 0.70 0.14 0.57 1.82 -1.27 -2.51 116.42 116.09 3k3e h ASP 418 Ca 0.11 -0.66 -0.08 0.00 -0.39 0.00 0.00 57.03 56.01 3k3e h ASP 418 Cb 0.18 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 3k3e h ASP 418 CO -0.02 1.49 -0.28 0.00 -1.61 0.00 0.00 179.24 178.81 3k3e h LEU 420 N 0.21 0.05 -2.39 0.00 5.85 -0.95 -3.05 115.31 115.02 3k3e h LEU 420 Ca 0.03 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3k3e h LEU 420 Cb 0.62 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 3k3e h LEU 420 CO 0.04 0.64 0.02 -0.07 -0.34 0.00 0.00 178.44 178.73 3k3e h LEU 421 N -0.55 0.00 0.21 2.25 3.38 -1.31 0.68 115.31 119.97 3k3e h LEU 421 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3k3e h LEU 421 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3k3e h LEU 421 CO 0.01 0.00 -0.10 -0.08 0.09 0.00 0.00 178.44 178.36 3k3e h GLU 422 N 0.00 -0.27 -0.45 1.13 4.81 -1.18 -0.40 114.58 118.23 3k3e h GLU 422 Ca 0.01 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3k3e h GLU 422 Cb 0.04 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3k3e h GLU 422 CO -0.00 0.01 0.23 1.49 -0.73 0.00 0.00 179.01 180.01 3k3e h GLU 423 N -0.54 0.45 -0.99 1.92 4.81 -1.22 0.47 114.58 119.47 3k3e h GLU 423 Ca -0.03 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3k3e h GLU 423 Cb 0.40 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 3k3e h GLU 423 CO 0.05 0.30 0.65 1.88 -0.73 0.00 0.00 179.01 181.16 3k3e h TYR 424 N 0.46 1.23 -0.24 0.92 -1.99 -0.82 -1.62 116.97 114.91 3k3e h TYR 424 Ca 0.19 0.03 -0.20 0.00 2.00 0.00 0.00 58.73 60.75 3k3e h TYR 424 Cb 0.08 -0.42 0.00 0.00 2.00 0.00 0.00 36.73 38.40 3k3e h TYR 424 CO -0.10 0.76 -0.62 0.74 -0.00 0.00 0.00 178.16 178.94 3k3e h PHE 425 N 1.32 1.08 -0.90 4.88 0.04 -0.47 -1.12 116.94 121.77 3k3e h PHE 425 Ca 0.37 -0.42 0.19 0.00 2.80 0.00 0.00 57.97 60.92 3k3e h PHE 425 Cb -0.12 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 37.77 3k3e h PHE 425 CO -0.00 1.25 0.59 1.98 -0.60 0.00 0.00 178.31 181.53 3k3e h MET 426 N 0.62 0.45 0.11 1.51 4.05 -0.40 0.65 114.93 121.92 3k3e h MET 426 Ca -0.01 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3k3e h MET 426 Cb 1.24 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 3k3e h MET 426 CO 0.13 0.30 -0.05 0.37 0.23 0.00 0.00 176.91 177.89 3k3e h GLN 427 N 0.46 -0.14 0.00 0.39 4.15 -0.92 -3.11 115.11 115.95 3k3e h GLN 427 Ca 0.47 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.90 3k3e h GLN 427 Cb 1.09 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3k3e h GLN 427 CO -0.19 -0.09 0.40 0.66 -1.93 0.00 0.00 178.83 177.68 3k3e h SER 428 N -0.58 0.00 0.34 -0.69 4.64 -0.96 0.62 113.55 116.92 3k3e h SER 428 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 3k3e h SER 428 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3k3e h SER 428 CO 0.02 0.00 -0.16 0.44 -0.87 0.00 0.00 176.83 176.26 3k3e h ASP 429 N 0.00 -0.39 -0.05 4.97 3.32 -0.96 -2.17 116.42 121.15 3k3e h ASP 429 Ca 0.00 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.02 3k3e h ASP 429 Cb 0.81 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 3k3e h ASP 429 CO 0.00 0.07 0.04 -0.09 -1.72 0.00 0.00 179.24 177.54 3k3e h ARG 430 N -1.09 0.00 -0.01 3.56 2.43 -0.61 -2.18 114.38 116.48 3k3e h ARG 430 Ca -0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3k3e h ARG 430 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3k3e h ARG 430 CO 0.08 0.00 -0.02 0.93 -1.51 0.00 0.00 179.97 179.45 3k3e h GLU 431 N 0.00 0.03 -0.28 0.20 5.08 0.10 -3.16 114.58 116.54 3k3e h GLU 431 Ca 0.02 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3k3e h GLU 431 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3k3e h GLU 431 CO -0.00 0.58 -0.14 0.87 -1.00 0.00 0.00 179.01 179.32 3k3e h LYS 432 N -0.52 0.49 -0.95 2.33 1.57 -1.10 -2.37 116.57 116.01 3k3e h LYS 432 Ca 0.00 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 3k3e h LYS 432 Cb 0.58 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 3k3e h LYS 432 CO 0.00 0.62 0.15 -1.13 -0.57 0.00 0.00 179.45 178.52 3k3e n SER 433 N -4.20 3.06 0.00 0.86 3.41 -0.85 -3.12 113.62 112.78 3k3e n SER 433 Ca 0.00 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 3k3e n SER 433 Cb 0.33 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3k3e n SER 433 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k3e n GLU 434 N 0.03 0.00 0.00 4.33 1.02 -0.97 -5.00 120.64 120.04 3k3e n GLU 434 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3k3e n GLU 434 Cb 0.80 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 3k3e n GLU 434 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k3e n GLY 435 N 0.00 2.62 3.64 0.62 0.00 -0.93 -5.00 105.19 106.14 3k3e n GLY 435 Ca 0.00 -0.16 -0.49 0.00 0.00 0.00 0.00 46.02 45.38 3k3e n GLY 435 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k3e n LEU 436 N 0.00 2.59 -4.35 0.99 4.77 -0.96 -4.91 117.00 115.13 3k3e n LEU 436 Ca 0.00 1.09 -0.31 0.00 -0.03 0.00 0.00 56.01 56.76 3k3e n LEU 436 Cb 0.00 -1.33 0.20 0.00 -2.33 0.00 0.00 43.42 39.96 3k3e n LEU 436 CO 0.00 -0.54 -0.17 -0.81 -1.33 0.00 0.00 177.39 174.54 3k3e n PRO 437 N 3.33 -1.84 -4.25 3.23 -0.04 -1.26 -3.89 135.00 130.27 3k3e n PRO 437 Ca 0.18 -0.52 -0.17 0.00 -0.04 0.00 0.00 63.50 62.95 3k3e n PRO 437 Cb 0.25 -1.87 -0.13 0.00 -0.04 0.00 0.00 33.50 31.71 3k3e n PRO 437 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3k3e s VAL 438 N -2.30 0.72 0.18 0.52 1.01 -1.26 -4.80 120.40 114.48 3k3e s VAL 438 Ca 0.60 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 3k3e s VAL 438 Cb -0.17 -0.66 -0.08 0.00 0.00 0.00 0.00 36.38 35.47 3k3e s VAL 438 CO 0.66 -0.00 0.66 0.00 0.00 0.00 0.00 175.10 176.42 3k3e s ALA 439 N -0.64 3.48 0.29 5.51 0.00 -1.26 -4.97 121.76 124.18 3k3e s ALA 439 Ca -0.00 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.08 3k3e s ALA 439 Cb -0.06 -2.72 0.72 0.00 0.00 0.00 0.00 23.12 21.06 3k3e s ALA 439 CO 0.00 0.37 1.73 -1.35 0.00 0.00 0.00 175.76 176.51 3k3e h PRO 440 N 3.64 0.54 0.00 0.00 0.11 -2.00 0.47 132.00 134.76 3k3e h PRO 440 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3k3e h PRO 440 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3k3e h PRO 440 CO 0.65 0.36 0.00 1.97 -0.21 0.00 0.00 178.00 180.77 3k3e n PHE 441 N -4.92 0.00 0.02 0.65 1.16 -1.26 -2.41 117.46 110.70 3k3e n PHE 441 Ca 0.22 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.81 3k3e n PHE 441 Cb 0.61 -0.21 0.02 0.00 -1.61 0.00 0.00 39.48 38.29 3k3e n PHE 441 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 3k3e n MET 442 N -1.21 1.21 -3.39 3.97 2.81 0.07 -4.89 117.12 115.68 3k3e n MET 442 Ca 0.13 -1.12 -0.41 0.00 -1.81 0.00 0.00 57.70 54.49 3k3e n MET 442 Cb 0.16 -1.04 -0.09 0.00 -0.71 0.00 0.00 33.22 31.54 3k3e n MET 442 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3k3e s ASP 443 N -0.60 6.18 0.25 7.83 2.15 -0.68 -4.51 116.67 127.29 3k3e s ASP 443 Ca 0.03 -0.24 -0.07 0.00 0.43 0.00 0.00 52.55 52.70 3k3e s ASP 443 Cb 0.02 -2.20 0.44 0.00 -0.30 0.00 0.00 42.92 40.88 3k3e s ASP 443 CO 0.02 -0.35 1.63 0.03 -0.17 0.00 0.00 175.17 176.33 3k3e h ARG 444 N 8.47 0.08 0.00 4.34 3.08 -1.88 0.17 114.38 128.64 3k3e h ARG 444 Ca -0.30 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3k3e h ARG 444 Cb 1.14 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3k3e h ARG 444 CO 0.70 0.05 0.00 -0.25 -1.07 0.00 0.00 179.97 179.40 3k3e n ASP 445 N -5.38 0.00 -0.02 7.04 8.00 -1.26 -4.12 116.55 120.82 3k3e n ASP 445 Ca 0.14 0.30 -0.02 0.00 0.71 0.00 0.00 54.79 55.92 3k3e n ASP 445 Cb 0.48 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 3k3e n ASP 445 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3k3e n LYS 446 N -1.41 1.58 -3.95 -1.24 5.02 0.40 -5.08 118.16 113.49 3k3e n LYS 446 Ca 0.07 0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 56.03 3k3e n LYS 446 Cb 0.20 -1.07 -0.05 0.00 -0.02 0.00 0.00 35.03 34.08 3k3e n LYS 446 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3k3e s VAL 447 N -2.07 5.29 -0.03 -0.18 0.11 -0.14 -5.01 120.40 118.38 3k3e s VAL 447 Ca -0.03 -0.16 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 3k3e s VAL 447 Cb 0.01 -3.44 0.01 0.00 -1.53 0.00 0.00 36.38 31.43 3k3e s VAL 447 CO 0.10 0.37 -0.07 0.42 -3.33 0.00 0.00 175.10 172.59 3k3e s THR 448 N -1.25 0.64 0.23 5.04 -4.23 -1.26 -4.85 115.64 109.95 3k3e s THR 448 Ca 0.25 -0.27 -0.07 0.00 -1.18 0.00 0.00 61.69 60.42 3k3e s THR 448 Cb -0.12 -0.59 0.37 0.00 1.34 0.00 0.00 72.50 73.50 3k3e s THR 448 CO 0.16 0.21 1.28 1.17 -0.54 0.00 0.00 174.62 176.89 3k3e n LYS 449 N 3.42 -0.08 0.29 3.99 4.81 -1.26 -1.14 118.16 128.18 3k3e n LYS 449 Ca -0.19 1.28 -0.15 0.00 -0.87 0.00 0.00 58.31 58.37 3k3e n LYS 449 Cb 0.54 -1.90 -0.08 0.00 0.02 0.00 0.00 35.03 33.60 3k3e n LYS 449 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3k3e h ALA 450 N 1.62 -0.72 -0.85 3.14 0.00 -1.94 -1.68 119.26 118.82 3k3e h ALA 450 Ca 0.39 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3k3e h ALA 450 Cb 0.59 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3k3e h ALA 450 CO -0.84 -0.82 0.54 1.79 0.00 0.00 0.00 179.25 179.93 3k3e h THR 451 N -0.90 1.12 0.34 0.00 1.35 -1.65 -1.30 112.91 111.86 3k3e h THR 451 Ca -0.07 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 3k3e h THR 451 Cb 0.62 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.01 3k3e h THR 451 CO 0.12 0.19 -0.24 0.00 -0.25 0.00 0.00 175.52 175.34 3k3e h ALA 452 N 1.37 -1.03 -0.05 6.62 0.00 -1.09 -2.06 119.26 123.01 3k3e h ALA 452 Ca 0.35 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3k3e h ALA 452 Cb 0.04 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3k3e h ALA 452 CO -0.13 -1.03 0.23 1.96 0.00 0.00 0.00 179.25 180.28 3k3e h GLN 453 N -0.55 0.00 -0.06 0.00 1.08 -1.16 0.28 115.11 114.69 3k3e h GLN 453 Ca -0.04 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.91 3k3e h GLN 453 Cb 0.46 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.90 3k3e h GLN 453 CO 0.02 0.00 -0.91 0.82 -0.95 0.00 0.00 178.83 177.81 3k3e h ILE 454 N 0.00 1.29 -0.28 2.54 2.04 -0.88 -0.95 117.51 121.28 3k3e h ILE 454 Ca 0.02 -2.15 -0.13 0.00 1.00 0.00 0.00 64.86 63.60 3k3e h ILE 454 Cb 0.48 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 3k3e h ILE 454 CO -0.00 0.67 -0.34 1.23 0.00 0.00 0.00 178.15 179.71 3k3e h GLY 455 N 0.60 0.79 0.96 5.37 0.00 0.16 -2.28 103.07 108.66 3k3e h GLY 455 Ca -0.09 -0.84 -0.07 0.00 0.00 0.00 0.00 47.33 46.34 3k3e h GLY 455 CO 0.18 0.76 0.01 -2.75 0.00 0.00 0.00 176.54 174.73 3k3e h PHE 456 N 0.46 0.80 -0.03 5.60 3.57 -1.02 -0.40 116.94 125.92 3k3e h PHE 456 Ca 0.04 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.29 3k3e h PHE 456 Cb 0.92 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3k3e h PHE 456 CO 0.08 0.80 -0.48 0.82 -2.23 0.00 0.00 178.31 177.29 3k3e h ILE 457 N 0.57 1.35 0.10 1.41 2.04 -1.19 -0.65 117.51 121.14 3k3e h ILE 457 Ca 0.12 -1.68 -0.36 0.00 1.00 0.00 0.00 64.86 63.94 3k3e h ILE 457 Cb 0.47 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 3k3e h ILE 457 CO 0.02 0.49 -2.00 0.29 0.00 0.00 0.00 178.15 176.95 3k3e n LYS 458 N -3.96 0.74 -0.33 2.37 5.02 -0.86 -1.34 118.16 119.80 3k3e n LYS 458 Ca -0.02 0.26 0.10 0.00 -2.02 0.00 0.00 58.31 56.63 3k3e n LYS 458 Cb 0.51 -1.70 0.28 0.00 -0.02 0.00 0.00 35.03 34.10 3k3e n LYS 458 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3k3e n PHE 459 N -3.40 0.86 0.01 2.13 3.01 -0.17 -4.36 117.46 115.55 3k3e n PHE 459 Ca -0.31 -0.50 0.00 0.00 1.01 0.00 0.00 57.45 57.65 3k3e n PHE 459 Cb 1.05 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 3k3e n PHE 459 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3k3e n VAL 460 N 1.34 0.00 -0.03 -4.37 0.31 -0.85 -4.93 118.33 109.81 3k3e n VAL 460 Ca 0.21 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.43 3k3e n VAL 460 Cb 0.58 -0.04 -0.05 0.00 -0.91 0.00 0.00 33.84 33.42 3k3e n VAL 460 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3k3e h LEU 461 N 0.00 0.18 -0.39 7.52 3.38 -1.27 -2.44 115.31 122.29 3k3e h LEU 461 Ca 0.00 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.67 3k3e h LEU 461 Cb 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3k3e h LEU 461 CO 0.00 0.26 -0.43 0.40 0.09 0.00 0.00 178.44 178.76 3k3e h ILE 462 N 0.08 1.27 -0.27 1.22 2.04 -1.45 -1.78 117.51 118.62 3k3e h ILE 462 Ca 0.05 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.27 3k3e h ILE 462 Cb 0.13 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3k3e h ILE 462 CO -0.01 0.53 0.04 -0.65 0.00 0.00 0.00 178.15 178.07 3k3e h PRO 463 N 0.73 0.46 -0.14 2.37 0.11 -1.76 -0.27 132.00 133.51 3k3e h PRO 463 Ca 0.05 -0.12 0.01 0.00 0.11 0.00 0.00 66.00 66.04 3k3e h PRO 463 Cb 1.02 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3k3e h PRO 463 CO 0.10 0.57 0.06 1.98 -0.21 0.00 0.00 178.00 180.50 3k3e h MET 464 N 0.27 0.13 0.00 1.05 1.85 -1.43 -1.31 114.93 115.49 3k3e h MET 464 Ca 0.08 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.17 3k3e h MET 464 Cb 0.34 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.34 3k3e h MET 464 CO 0.01 0.09 0.00 1.19 -0.40 0.00 0.00 176.91 177.79 3k3e n PHE 465 N -5.04 0.50 0.01 1.39 3.01 -0.67 -2.67 117.46 113.99 3k3e n PHE 465 Ca -0.04 0.18 -0.12 0.00 1.01 0.00 0.00 57.45 58.48 3k3e n PHE 465 Cb 0.05 -0.80 -0.09 0.00 -0.01 0.00 0.00 39.48 38.63 3k3e n PHE 465 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3k3e h GLU 466 N 0.00 -0.11 -0.25 -1.08 4.81 0.10 -2.59 114.58 115.46 3k3e h GLU 466 Ca 0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3k3e h GLU 466 Cb 0.40 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3k3e h GLU 466 CO 0.00 0.44 0.03 1.79 -0.73 0.00 0.00 179.01 180.54 3k3e h THR 467 N -0.79 1.14 0.00 0.32 1.35 -1.33 -1.11 112.91 112.48 3k3e h THR 467 Ca -0.01 -0.52 -0.07 0.00 -0.55 0.00 0.00 66.41 65.27 3k3e h THR 467 Cb 0.59 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 3k3e h THR 467 CO 0.02 0.18 -0.32 0.58 -0.25 0.00 0.00 175.52 175.73 3k3e h VAL 468 N 0.36 1.08 -0.03 6.82 2.07 -1.53 -2.41 116.25 122.62 3k3e h VAL 468 Ca 0.09 -1.15 -0.11 0.00 0.82 0.00 0.00 66.70 66.34 3k3e h VAL 468 Cb 0.19 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3k3e h VAL 468 CO 0.00 0.31 -0.51 0.74 0.02 0.00 0.00 177.57 178.13 3k3e h THR 469 N 0.00 1.37 0.00 2.57 2.02 -0.78 0.12 112.91 118.20 3k3e h THR 469 Ca -0.00 -1.77 -0.00 0.00 0.77 0.00 0.00 66.41 65.40 3k3e h THR 469 Cb 0.62 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3k3e h THR 469 CO 0.04 0.51 -0.01 0.11 0.37 0.00 0.00 175.52 176.55 3k3e h LYS 470 N 0.06 0.00 0.03 6.66 1.57 -1.22 -2.10 116.57 121.56 3k3e h LYS 470 Ca -0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 3k3e h LYS 470 Cb 0.93 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.18 3k3e h LYS 470 CO 0.07 0.01 -2.37 -0.11 -0.57 0.00 0.00 179.45 176.48 3k3e n LEU 471 N -3.17 2.87 -3.94 2.94 7.94 -0.76 -4.83 117.00 118.04 3k3e n LEU 471 Ca -0.02 -0.05 -0.31 0.00 -1.11 0.00 0.00 56.01 54.53 3k3e n LEU 471 Cb 0.13 -0.95 -0.15 0.00 0.53 0.00 0.00 43.42 42.98 3k3e n LEU 471 CO 0.23 0.91 -0.38 -0.36 -1.11 0.00 0.00 177.39 176.67 3k3e s PHE 472 N -2.53 2.79 0.30 1.96 0.40 0.34 -5.01 117.98 116.23 3k3e s PHE 472 Ca -0.32 -2.19 0.02 0.00 -0.60 0.00 0.00 56.93 53.83 3k3e s PHE 472 Cb 0.09 -2.04 0.47 0.00 0.51 0.00 0.00 43.02 42.05 3k3e s PHE 472 CO 0.63 -0.86 1.81 -1.00 0.70 0.00 0.00 175.22 176.51 3k3e h PRO 473 N 7.85 0.62 0.00 0.24 0.13 -1.80 -2.83 132.00 136.22 3k3e h PRO 473 Ca -0.13 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3k3e h PRO 473 Cb 1.04 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3k3e h PRO 473 CO 0.46 0.67 0.00 0.00 -0.23 0.00 0.00 178.00 178.90 3k3e h MET 474 N 0.59 0.00 0.00 0.86 -0.00 -1.92 -2.40 114.93 112.06 3k3e h MET 474 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.79 3k3e h MET 474 Cb 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.01 3k3e h MET 474 CO 0.02 0.00 -0.12 0.28 -0.00 0.00 0.00 176.91 177.09 3k3e h VAL 475 N 0.00 0.32 -0.14 -0.10 2.07 -1.85 -3.07 116.25 113.48 3k3e h VAL 475 Ca 0.00 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 3k3e h VAL 475 Cb 0.31 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3k3e h VAL 475 CO 0.00 0.11 -0.02 -0.08 0.02 0.00 0.00 177.57 177.60 3k3e h GLU 476 N 0.00 0.27 0.21 1.57 4.81 -1.59 -1.66 114.58 118.18 3k3e h GLU 476 Ca -0.00 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3k3e h GLU 476 Cb 0.58 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3k3e h GLU 476 CO 0.02 0.54 -0.10 1.49 -0.73 0.00 0.00 179.01 180.22 3k3e h GLU 477 N -0.02 -0.27 0.00 1.92 4.81 -1.73 -2.27 114.58 117.01 3k3e h GLU 477 Ca 0.04 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3k3e h GLU 477 Cb 0.43 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3k3e h GLU 477 CO 0.01 0.12 -0.18 0.82 -0.73 0.00 0.00 179.01 179.05 3k3e h ILE 478 N -0.81 0.79 0.00 2.32 1.08 -1.63 -3.31 117.51 115.95 3k3e h ILE 478 Ca -0.03 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 3k3e h ILE 478 Cb 0.51 1.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.70 3k3e h ILE 478 CO 0.05 0.18 -0.32 0.23 -0.69 0.00 0.00 178.15 177.59 3k3e n MET 479 N -3.83 2.66 0.17 2.37 2.81 -0.65 -4.71 117.12 115.94 3k3e n MET 479 Ca -0.02 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.96 3k3e n MET 479 Cb 0.28 -0.66 0.09 0.00 -0.71 0.00 0.00 33.22 32.22 3k3e n MET 479 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3k3e h LEU 480 N 0.00 0.00 0.43 4.03 5.85 -1.15 -3.20 115.31 121.26 3k3e h LEU 480 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3k3e h LEU 480 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3k3e h LEU 480 CO 0.00 0.18 -0.21 -0.61 -0.34 0.00 0.00 178.44 177.46 3k3e h GLN 481 N 0.00 -0.55 -0.29 1.25 5.75 -1.51 -2.21 115.11 117.55 3k3e h GLN 481 Ca -0.01 0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.61 3k3e h GLN 481 Cb 1.15 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.81 3k3e h GLN 481 CO 0.02 -0.27 0.22 -1.00 -2.65 0.00 0.00 178.83 175.14 3k3e h PRO 482 N -1.05 0.00 -0.41 -2.39 0.13 -1.80 -0.89 132.00 125.58 3k3e h PRO 482 Ca -0.06 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.00 3k3e h PRO 482 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 3k3e h PRO 482 CO 0.10 0.00 -0.01 -0.07 -0.23 0.00 0.00 178.00 177.79 3k3e h LEU 483 N 0.00 0.72 0.18 1.56 3.38 -1.53 0.37 115.31 119.99 3k3e h LEU 483 Ca 0.14 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3k3e h LEU 483 Cb 0.57 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3k3e h LEU 483 CO -0.00 0.86 -0.09 -0.50 0.09 0.00 0.00 178.44 178.80 3k3e h TRP 484 N 0.57 -0.23 -0.43 1.13 6.55 -0.62 -1.21 115.95 121.70 3k3e h TRP 484 Ca 0.12 -0.01 0.09 0.00 0.95 0.00 0.00 58.89 60.04 3k3e h TRP 484 Cb 0.49 0.08 -0.09 0.00 -0.86 0.00 0.00 29.16 28.78 3k3e h TRP 484 CO 0.04 0.03 -0.21 0.93 -1.05 0.00 0.00 178.44 178.18 3k3e h GLU 485 N -0.47 -0.12 -0.90 0.49 5.08 -1.10 0.83 114.58 118.39 3k3e h GLU 485 Ca -0.03 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3k3e h GLU 485 Cb 0.36 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 3k3e h GLU 485 CO 0.04 -0.08 0.55 1.03 -1.00 0.00 0.00 179.01 179.55 3k3e h SER 486 N -0.12 0.81 -0.05 1.42 0.87 -0.13 0.19 113.55 116.54 3k3e h SER 486 Ca 0.21 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3k3e h SER 486 Cb 0.44 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3k3e h SER 486 CO -0.51 0.46 0.02 -0.09 -0.53 0.00 0.00 176.83 176.18 3k3e h ARG 487 N 0.92 0.08 -0.22 2.24 2.43 0.21 -1.86 114.38 118.18 3k3e h ARG 487 Ca 0.43 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.63 3k3e h ARG 487 Cb 0.36 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 3k3e h ARG 487 CO -0.24 0.21 -0.09 -0.44 -1.51 0.00 0.00 179.97 177.91 3k3e h ASP 488 N -0.08 -0.29 -0.57 -3.80 3.32 -0.06 -2.32 116.42 112.61 3k3e h ASP 488 Ca 0.02 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.16 3k3e h ASP 488 Cb 0.16 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3k3e h ASP 488 CO -0.00 -0.11 0.36 -0.09 -1.72 0.00 0.00 179.24 177.68 3k3e h ARG 489 N -0.05 0.70 0.00 3.56 2.43 -0.86 -1.46 114.38 118.70 3k3e h ARG 489 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3k3e h ARG 489 Cb 0.22 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3k3e h ARG 489 CO -0.25 0.46 0.00 1.88 -1.51 0.00 0.00 179.97 180.55 3k3e h TYR 490 N 0.72 0.00 0.00 2.20 0.05 -1.07 -1.49 116.97 117.38 3k3e h TYR 490 Ca 0.22 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.80 3k3e h TYR 490 Cb -0.02 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3k3e h TYR 490 CO -0.05 0.00 -1.00 0.93 -1.05 0.00 0.00 178.16 176.99 3k3e h GLU 491 N 0.00 0.00 0.02 4.88 5.08 -0.73 -2.14 114.58 121.70 3k3e h GLU 491 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3k3e h GLU 491 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3k3e h GLU 491 CO 0.00 0.85 -0.96 0.93 -1.00 0.00 0.00 179.01 178.83 3k3e h GLU 492 N 0.00 0.08 0.00 2.33 5.08 -0.97 -2.93 114.58 118.17 3k3e h GLU 492 Ca -0.04 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3k3e h GLU 492 Cb 1.73 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.02 3k3e h GLU 492 CO 0.11 0.97 0.00 1.25 -1.00 0.00 0.00 179.01 180.35 3k3e h LEU 493 N 0.03 0.00 -0.28 1.33 5.85 -1.28 -3.15 115.31 117.82 3k3e h LEU 493 Ca -0.03 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.48 3k3e h LEU 493 Cb 1.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.69 3k3e h LEU 493 CO 0.14 0.00 -0.73 0.50 -0.34 0.00 0.00 178.44 178.00 3k3e h LYS 494 N 0.00 0.64 0.76 1.25 3.64 -1.19 -2.31 116.57 119.36 3k3e h LYS 494 Ca 0.00 -0.51 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 3k3e h LYS 494 Cb 0.72 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3k3e h LYS 494 CO 0.00 1.13 -0.43 0.00 -2.27 0.00 0.00 179.45 177.88 3k3e h ARG 495 N 0.44 -1.07 -0.97 1.90 2.47 -1.57 -0.91 114.38 114.67 3k3e h ARG 495 Ca -0.04 0.07 0.10 0.00 -1.26 0.00 0.00 59.98 58.86 3k3e h ARG 495 Cb 1.34 0.24 -0.08 0.00 -1.65 0.00 0.00 29.97 29.82 3k3e h ARG 495 CO 0.14 -0.71 0.61 0.82 0.56 0.00 0.00 179.97 181.39 3k3e h ILE 496 N -1.11 0.96 -0.34 2.04 2.04 -1.64 0.16 117.51 119.62 3k3e h ILE 496 Ca -0.10 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3k3e h ILE 496 Cb 0.88 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3k3e h ILE 496 CO 0.12 0.18 0.16 0.44 0.00 0.00 0.00 178.15 179.06 3k3e h ASP 497 N 1.01 0.45 -0.48 1.72 3.32 -1.22 -0.84 116.42 120.38 3k3e h ASP 497 Ca 0.46 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 3k3e h ASP 497 Cb 0.38 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3k3e h ASP 497 CO -0.24 0.45 0.08 0.44 -1.72 0.00 0.00 179.24 178.26 3k3e h ASP 498 N 0.42 0.81 -0.61 6.45 3.32 -0.28 -1.74 116.42 124.80 3k3e h ASP 498 Ca 0.12 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3k3e h ASP 498 Cb 0.13 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3k3e h ASP 498 CO -0.01 0.83 0.30 0.00 -1.72 0.00 0.00 179.24 178.63 3k3e h ALA 499 N 1.27 0.79 -0.33 3.45 0.00 -0.31 -2.30 119.26 121.83 3k3e h ALA 499 Ca 0.17 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3k3e h ALA 499 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3k3e h ALA 499 CO 0.01 0.35 -0.17 0.52 0.00 0.00 0.00 179.25 179.96 3k3e h MET 500 N 0.84 0.59 -0.50 0.00 2.86 -0.88 -2.89 114.93 114.94 3k3e h MET 500 Ca 0.21 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3k3e h MET 500 Cb 0.11 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 3k3e h MET 500 CO -0.03 0.73 0.27 0.87 1.06 0.00 0.00 176.91 179.81 3k3e h LYS 501 N 0.53 0.51 -0.80 1.72 1.79 -0.82 -1.70 116.57 117.80 3k3e h LYS 501 Ca 0.09 -0.03 0.14 0.00 -2.18 0.00 0.00 60.65 58.67 3k3e h LYS 501 Cb 0.59 -0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 3k3e h LYS 501 CO 0.04 0.33 0.53 0.93 -1.08 0.00 0.00 179.45 180.20 3k3e h GLU 502 N 0.52 0.50 -0.10 3.15 5.08 -1.21 -2.52 114.58 119.99 3k3e h GLU 502 Ca 0.21 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 3k3e h GLU 502 Cb 0.10 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.25 3k3e h GLU 502 CO -0.14 0.33 -0.86 -0.07 -1.00 0.00 0.00 179.01 177.28 3k3e h LEU 503 N 0.51 0.87 0.00 1.33 3.38 -1.33 -3.14 115.31 116.93 3k3e h LEU 503 Ca 0.39 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3k3e h LEU 503 Cb 0.79 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3k3e h LEU 503 CO -0.14 1.41 0.00 0.00 0.09 0.00 0.00 178.44 179.79 3k3e n GLN 504 N -3.89 0.91 -3.56 1.13 6.02 -0.95 -4.09 117.38 112.94 3k3e n GLN 504 Ca -0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.60 3k3e n GLN 504 Cb 0.79 -1.15 -0.08 0.00 1.02 0.00 0.00 30.24 30.82 3k3e n GLN 504 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3k3e n LYS 505 N -0.65 2.55 0.00 -1.09 4.81 -1.16 -5.10 118.16 117.53 3k3e n LYS 505 Ca 0.06 -4.58 0.00 0.00 -0.87 0.00 0.00 58.31 52.93 3k3e n LYS 505 Cb 0.03 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 32.76 3k3e n LYS 505 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20