#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g45 h ASN 248 N 0.00 0.00 0.71 -3.46 2.35 -2.05 -2.98 115.58 110.16 3g45 h ASN 248 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3g45 h ASN 248 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3g45 h ASN 248 CO 0.00 0.29 -0.34 0.50 -1.65 0.00 0.00 177.43 176.23 3g45 h LYS 249 N 0.00 -0.92 -0.67 0.81 3.64 -2.05 0.31 116.57 117.70 3g45 h LYS 249 Ca -0.00 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.57 3g45 h LYS 249 Cb 0.62 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 32.55 3g45 h LYS 249 CO 0.04 -0.59 0.20 0.35 -2.27 0.00 0.00 179.45 177.18 3g45 h PHE 250 N -1.09 0.33 -0.27 1.91 3.57 -1.99 0.12 116.94 119.53 3g45 h PHE 250 Ca -0.10 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3g45 h PHE 250 Cb 0.76 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3g45 h PHE 250 CO -0.01 0.00 0.10 0.87 -2.23 0.00 0.00 178.31 177.04 3g45 h LYS 251 N 0.33 0.41 -0.94 1.11 1.79 -1.39 0.98 116.57 118.86 3g45 h LYS 251 Ca 0.36 -0.08 0.02 0.00 -2.18 0.00 0.00 60.65 58.77 3g45 h LYS 251 Cb 0.55 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.09 3g45 h LYS 251 CO -0.41 0.45 0.62 0.07 -1.08 0.00 0.00 179.45 179.11 3g45 h ARG 252 N 0.28 1.22 -0.38 3.15 -0.00 0.03 -2.51 114.38 116.17 3g45 h ARG 252 Ca 0.09 -0.07 -0.15 0.00 -0.00 0.00 0.00 59.98 59.84 3g45 h ARG 252 Cb 0.21 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.97 29.90 3g45 h ARG 252 CO -0.01 0.81 -0.36 1.98 -0.00 0.00 0.00 179.97 182.39 3g45 h MET 253 N 1.25 0.91 0.08 0.08 -1.53 -0.46 -2.64 114.93 112.63 3g45 h MET 253 Ca 0.35 -0.48 0.01 0.00 -3.44 0.00 0.00 59.70 56.15 3g45 h MET 253 Cb -0.11 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 30.94 3g45 h MET 253 CO -0.09 1.13 -0.15 1.25 0.14 0.00 0.00 176.91 179.20 3g45 h LEU 254 N 0.72 -0.41 -0.76 3.39 5.85 -0.57 -1.56 115.31 121.97 3g45 h LEU 254 Ca 0.06 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3g45 h LEU 254 Cb 0.96 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3g45 h LEU 254 CO 0.09 -0.22 -0.34 -0.55 -0.34 0.00 0.00 178.44 177.09 3g45 h ASN 255 N -0.29 0.00 -0.25 1.25 7.08 -1.48 -1.61 115.58 120.29 3g45 h ASN 255 Ca 0.03 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.22 3g45 h ASN 255 Cb 0.31 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.54 3g45 h ASN 255 CO -0.09 0.34 0.05 -0.09 -2.08 0.00 0.00 177.43 175.56 3g45 h ARG 256 N 0.00 0.41 -0.75 4.14 2.43 -1.38 -0.10 114.38 119.12 3g45 h ARG 256 Ca -0.00 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3g45 h ARG 256 Cb 0.96 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 3g45 h ARG 256 CO 0.04 0.52 0.37 1.49 -1.51 0.00 0.00 179.97 180.88 3g45 h GLU 257 N 0.23 1.07 0.00 0.20 4.57 -0.86 -2.15 114.58 117.64 3g45 h GLU 257 Ca 0.08 -0.15 -0.16 0.00 -1.18 0.00 0.00 59.36 57.96 3g45 h GLU 257 Cb 0.30 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3g45 h GLU 257 CO 0.00 0.82 -0.78 -0.07 -1.18 0.00 0.00 179.01 177.80 3g45 h LEU 258 N 1.07 0.00 -0.26 1.64 3.38 -1.24 -2.95 115.31 116.95 3g45 h LEU 258 Ca 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 3g45 h LEU 258 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3g45 h LEU 258 CO -0.03 0.72 -0.03 0.74 0.09 0.00 0.00 178.44 179.92 3g45 h THR 259 N 0.00 1.27 -0.51 0.22 2.02 -0.82 -1.84 112.91 113.25 3g45 h THR 259 Ca -0.02 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.17 3g45 h THR 259 Cb 1.57 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 3g45 h THR 259 CO 0.09 0.32 0.30 -0.74 0.37 0.00 0.00 175.52 175.86 3g45 h HIS 260 N 0.23 0.56 -0.57 3.16 -0.00 -1.45 -2.21 115.15 114.87 3g45 h HIS 260 Ca 0.07 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.41 3g45 h HIS 260 Cb 0.48 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.68 3g45 h HIS 260 CO 0.04 0.32 0.17 1.25 -0.00 0.00 0.00 177.93 179.72 3g45 h LEU 261 N 0.60 0.80 -1.62 0.26 5.85 -1.50 -2.04 115.31 117.66 3g45 h LEU 261 Ca 0.20 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3g45 h LEU 261 Cb 0.02 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3g45 h LEU 261 CO -0.09 0.77 0.00 -1.28 -0.34 0.00 0.00 178.44 177.49 3g45 h SER 262 N 0.84 0.00 0.00 1.25 0.87 -0.75 -2.94 113.55 112.83 3g45 h SER 262 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3g45 h SER 262 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3g45 h SER 262 CO -0.01 0.00 -0.96 -0.62 -0.53 0.00 0.00 176.83 174.72 3g45 n GLU 263 N -2.83 1.77 -0.16 2.24 1.02 -0.86 -3.82 120.64 117.99 3g45 n GLU 263 Ca -0.00 -0.04 -0.04 0.00 -0.02 0.00 0.00 57.16 57.06 3g45 n GLU 263 Cb 0.22 -1.22 0.05 0.00 -0.02 0.00 0.00 31.44 30.47 3g45 n GLU 263 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 3g45 h MET 264 N 0.00 0.43 -2.09 3.49 2.86 -1.20 -3.47 114.93 114.95 3g45 h MET 264 Ca 0.00 -0.03 0.24 0.00 -2.06 0.00 0.00 59.70 57.86 3g45 h MET 264 Cb 0.43 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.92 3g45 h MET 264 CO 0.00 0.28 0.68 -1.54 1.06 0.00 0.00 176.91 177.39 3g45 s SER 265 N -5.45 -0.06 0.35 1.22 1.04 -1.26 -4.96 113.70 104.57 3g45 s SER 265 Ca -0.13 -0.37 0.10 0.00 0.48 0.00 0.00 55.95 56.03 3g45 s SER 265 Cb 0.14 0.34 0.64 0.00 0.10 0.00 0.00 66.02 67.24 3g45 s SER 265 CO 0.73 -0.65 1.80 0.08 0.98 0.00 0.00 173.24 176.18 3g45 h ARG 266 N 2.00 0.14 -0.36 4.02 -0.00 -1.91 -0.04 114.38 118.24 3g45 h ARG 266 Ca -0.27 -0.05 0.06 0.00 -0.00 0.00 0.00 59.98 59.72 3g45 h ARG 266 Cb 1.21 -0.01 -0.06 0.00 -0.00 0.00 0.00 29.97 31.12 3g45 h ARG 266 CO 0.30 0.46 -0.00 1.03 -0.00 0.00 0.00 179.97 181.76 3g45 h SER 267 N 0.13 -0.15 0.27 0.08 0.87 -1.95 -1.47 113.55 111.33 3g45 h SER 267 Ca 0.02 0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 3g45 h SER 267 Cb 0.65 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3g45 h SER 267 CO 0.05 -0.04 -0.48 1.23 -0.53 0.00 0.00 176.83 177.06 3g45 h GLY 268 N 0.10 0.27 1.01 5.77 0.00 -1.46 -1.42 103.07 107.34 3g45 h GLY 268 Ca 0.17 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 3g45 h GLY 268 CO -0.29 0.25 0.16 -0.57 0.00 0.00 0.00 176.54 176.09 3g45 h ASN 269 N 0.20 0.88 -0.39 0.19 -0.73 -0.84 0.31 115.58 115.20 3g45 h ASN 269 Ca 0.01 -0.22 -0.16 0.00 1.87 0.00 0.00 56.30 57.80 3g45 h ASN 269 Cb 0.92 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.27 3g45 h ASN 269 CO 0.07 0.87 -0.38 0.06 -0.37 0.00 0.00 177.43 177.69 3g45 h GLN 270 N 0.84 0.94 -0.40 6.67 3.07 -1.06 0.13 115.11 125.30 3g45 h GLN 270 Ca 0.19 -0.49 -0.09 0.00 0.09 0.00 0.00 58.65 58.34 3g45 h GLN 270 Cb 0.33 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.89 3g45 h GLN 270 CO -0.00 1.15 -0.09 0.28 0.09 0.00 0.00 178.83 180.26 3g45 h VAL 271 N 0.76 1.27 -0.64 1.86 2.07 -1.21 -1.64 116.25 118.73 3g45 h VAL 271 Ca 0.06 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 3g45 h VAL 271 Cb 0.98 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3g45 h VAL 271 CO 0.09 0.39 0.12 -1.28 0.02 0.00 0.00 177.57 176.92 3g45 h SER 272 N 0.58 0.99 -0.53 0.57 0.87 -0.29 -1.37 113.55 114.37 3g45 h SER 272 Ca 0.10 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 3g45 h SER 272 Cb 0.61 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3g45 h SER 272 CO 0.04 0.98 0.07 -0.08 -0.53 0.00 0.00 176.83 177.30 3g45 h GLU 273 N 0.98 0.95 -0.51 2.24 4.81 -0.69 -2.89 114.58 119.48 3g45 h GLU 273 Ca 0.20 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3g45 h GLU 273 Cb 0.40 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3g45 h GLU 273 CO 0.01 0.89 0.23 -0.92 -0.73 0.00 0.00 179.01 178.49 3g45 h TYR 274 N 0.89 0.74 -0.49 0.92 5.03 -0.86 -2.46 116.97 120.74 3g45 h TYR 274 Ca 0.18 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 3g45 h TYR 274 Cb 0.43 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 3g45 h TYR 274 CO 0.03 0.60 0.23 0.82 -1.32 0.00 0.00 178.16 178.52 3g45 h ILE 275 N 0.68 1.19 -0.66 1.81 2.04 -1.15 -1.99 117.51 119.43 3g45 h ILE 275 Ca 0.17 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 3g45 h ILE 275 Cb 0.14 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3g45 h ILE 275 CO -0.02 0.22 0.13 0.28 0.00 0.00 0.00 178.15 178.76 3g45 h SER 276 N 0.65 1.02 -0.03 1.72 0.02 -1.49 0.14 113.55 115.58 3g45 h SER 276 Ca 0.17 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3g45 h SER 276 Cb 0.13 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3g45 h SER 276 CO -0.02 1.00 0.00 0.59 -1.14 0.00 0.00 176.83 177.26 3g45 n ASN 277 N -4.27 0.63 0.00 3.07 3.02 -0.93 -4.08 115.26 112.71 3g45 n ASN 277 Ca 0.04 -1.31 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 3g45 n ASN 277 Cb 0.27 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 3g45 n ASN 277 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3g45 n THR 278 N -0.46 0.00 0.29 3.41 -1.04 -0.77 -4.88 114.28 110.84 3g45 n THR 278 Ca 0.20 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.29 3g45 n THR 278 Cb 0.20 -0.95 0.13 0.00 -1.82 0.00 0.00 70.33 67.89 3g45 n THR 278 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3g45 n PHE 279 N -2.66 0.26 -4.59 -1.42 3.01 0.45 -1.51 117.46 110.99 3g45 n PHE 279 Ca 0.00 -0.20 -0.30 0.00 1.01 0.00 0.00 57.45 57.96 3g45 n PHE 279 Cb 0.40 -0.01 -0.13 0.00 -0.01 0.00 0.00 39.48 39.73 3g45 n PHE 279 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3g45 s LEU 280 N -1.18 2.45 -0.74 4.37 1.02 -1.24 -2.63 118.68 120.73 3g45 s LEU 280 Ca 0.24 -0.56 -0.19 0.00 0.02 0.00 0.00 54.13 53.64 3g45 s LEU 280 Cb 0.15 -1.40 0.12 0.00 0.02 0.00 0.00 46.19 45.08 3g45 s LEU 280 CO 0.21 0.22 0.88 -0.62 0.02 0.00 0.00 176.35 177.06 3g45 s ASP 281 N -1.66 6.40 0.00 2.29 -1.08 -0.88 -4.64 116.67 117.11 3g45 s ASP 281 Ca 0.14 -1.75 0.00 0.00 -0.52 0.00 0.00 52.55 50.43 3g45 s ASP 281 Cb -0.10 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 3g45 s ASP 281 CO 0.06 -1.07 0.00 0.35 0.52 0.00 0.00 175.17 175.03 3g45 n THR 323 N 5.35 0.00 0.07 1.71 -2.24 -1.26 -5.13 114.28 112.78 3g45 n THR 323 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 3g45 n THR 323 Cb 0.46 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 3g45 n THR 323 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3g45 h SER 324 N 0.00 0.48 0.39 3.42 4.64 -1.90 -0.80 113.55 119.78 3g45 h SER 324 Ca 0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3g45 h SER 324 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3g45 h SER 324 CO 0.00 1.16 0.00 0.00 -0.87 0.00 0.00 176.83 177.12 3g45 n ILE 325 N -3.75 0.96 -0.00 0.95 0.13 -1.23 -1.00 119.36 115.42 3g45 n ILE 325 Ca -0.06 0.46 0.02 0.00 -1.10 0.00 0.00 62.75 62.07 3g45 n ILE 325 Cb 0.81 -1.42 -0.04 0.00 -0.84 0.00 0.00 39.64 38.15 3g45 n ILE 325 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 3g45 n SER 326 N -2.21 3.86 0.02 9.51 3.41 -1.16 -4.26 113.62 122.78 3g45 n SER 326 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.49 3g45 n SER 326 Cb 0.14 1.15 -0.09 0.00 -0.26 0.00 0.00 64.21 65.14 3g45 n SER 326 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3g45 h ARG 327 N 0.00 -0.06 0.00 4.33 2.43 -0.91 -3.45 114.38 116.72 3g45 h ARG 327 Ca -0.02 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.59 3g45 h ARG 327 Cb 0.36 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 3g45 h ARG 327 CO 0.00 0.36 -0.32 1.19 -1.51 0.00 0.00 179.97 179.69 3g45 n PHE 328 N -4.92 -0.06 1.61 2.20 3.01 -0.17 -4.98 117.46 114.16 3g45 n PHE 328 Ca -0.08 -2.24 0.08 0.00 1.01 0.00 0.00 57.45 56.22 3g45 n PHE 328 Cb 0.23 -0.38 0.36 0.00 -0.01 0.00 0.00 39.48 39.68 3g45 n PHE 328 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g45 n GLY 329 N -1.03 -0.38 3.04 1.37 0.00 -1.26 -4.28 105.19 102.64 3g45 n GLY 329 Ca -0.08 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 3g45 n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g45 s VAL 330 N -1.87 0.11 -0.01 1.61 -7.23 -1.26 -4.90 120.40 106.85 3g45 s VAL 330 Ca 0.25 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 59.21 3g45 s VAL 330 Cb 0.12 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.58 3g45 s VAL 330 CO 0.19 -0.50 0.97 0.20 -0.31 0.00 0.00 175.10 175.65 3g45 s ASN 331 N -1.59 7.34 -0.11 4.85 0.01 -1.26 -3.48 114.94 120.70 3g45 s ASN 331 Ca -0.13 1.63 -0.27 0.00 -0.71 0.00 0.00 52.86 53.38 3g45 s ASN 331 Cb -0.07 -2.56 0.06 0.00 0.41 0.00 0.00 41.25 39.09 3g45 s ASN 331 CO -0.01 -0.27 0.64 0.28 -1.51 0.00 0.00 177.10 176.23 3g45 s THR 332 N 1.09 0.01 -0.29 1.60 -1.32 -1.26 -4.64 115.64 110.83 3g45 s THR 332 Ca 0.51 -0.04 0.11 0.00 -1.21 0.00 0.00 61.69 61.06 3g45 s THR 332 Cb -0.21 -0.94 0.61 0.00 -1.51 0.00 0.00 72.50 70.46 3g45 s THR 332 CO 0.27 -0.02 1.61 -1.84 -2.21 0.00 0.00 174.62 172.43 3g45 n GLU 333 N 1.53 2.83 -1.81 7.08 0.00 -1.26 -4.43 120.64 124.58 3g45 n GLU 333 Ca -0.18 -3.04 -0.13 0.00 0.00 0.00 0.00 57.16 53.81 3g45 n GLU 333 Cb 0.56 -2.00 0.06 0.00 0.00 0.00 0.00 31.44 30.07 3g45 n GLU 333 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3g45 n ASN 334 N -0.63 3.58 0.09 -1.84 3.02 -1.26 -4.90 115.26 113.33 3g45 n ASN 334 Ca 0.35 -3.45 0.17 0.00 -0.03 0.00 0.00 54.58 51.62 3g45 n ASN 334 Cb 1.18 -0.40 0.71 0.00 -0.61 0.00 0.00 39.78 40.66 3g45 n ASN 334 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3g45 h GLU 335 N 1.93 0.00 0.18 3.52 5.08 -1.90 -1.40 114.58 121.99 3g45 h GLU 335 Ca 0.19 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.30 3g45 h GLU 335 Cb 1.41 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.68 3g45 h GLU 335 CO 0.49 0.00 -1.08 -0.44 -1.00 0.00 0.00 179.01 176.97 3g45 h ASP 336 N 0.00 0.65 -0.56 1.42 3.32 -1.97 -1.43 116.42 117.85 3g45 h ASP 336 Ca 0.17 -0.92 -0.08 0.00 0.02 0.00 0.00 57.03 56.22 3g45 h ASP 336 Cb 0.73 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3g45 h ASP 336 CO -0.00 1.52 0.07 0.45 -1.72 0.00 0.00 179.24 179.56 3g45 h HIS 337 N -0.11 1.04 -0.50 4.55 3.86 -1.80 -2.33 115.15 119.85 3g45 h HIS 337 Ca -0.19 -0.14 -0.12 0.00 -1.16 0.00 0.00 60.37 58.77 3g45 h HIS 337 Cb 1.84 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 30.01 3g45 h HIS 337 CO 0.16 0.90 -0.14 1.25 0.86 0.00 0.00 177.93 180.95 3g45 h LEU 338 N 0.92 0.98 -1.29 2.43 5.85 -1.34 -2.62 115.31 120.24 3g45 h LEU 338 Ca 0.18 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3g45 h LEU 338 Cb 0.44 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3g45 h LEU 338 CO 0.01 1.11 -0.10 0.00 -0.34 0.00 0.00 178.44 179.13 3g45 h ALA 339 N 0.97 1.41 -0.19 1.25 0.00 -1.12 -1.58 119.26 120.00 3g45 h ALA 339 Ca 0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3g45 h ALA 339 Cb 0.70 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3g45 h ALA 339 CO 0.05 0.41 -0.10 -0.22 0.00 0.00 0.00 179.25 179.39 3g45 h LYS 340 N 0.34 0.39 -0.69 0.00 3.64 -1.22 -2.89 116.57 116.13 3g45 h LYS 340 Ca 0.07 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3g45 h LYS 340 Cb 0.39 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3g45 h LYS 340 CO 0.02 0.70 0.46 0.93 -2.27 0.00 0.00 179.45 179.29 3g45 h GLU 341 N 0.08 0.91 0.00 1.90 4.39 -1.28 -2.78 114.58 117.81 3g45 h GLU 341 Ca 0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3g45 h GLU 341 Cb 0.58 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3g45 h GLU 341 CO 0.03 0.60 0.00 1.28 -1.16 0.00 0.00 179.01 179.76 3g45 n LEU 342 N -4.60 0.00 0.16 1.33 4.77 -0.61 -1.55 117.00 116.50 3g45 n LEU 342 Ca 0.06 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 3g45 n LEU 342 Cb 0.02 -0.26 0.57 0.00 -2.33 0.00 0.00 43.42 41.42 3g45 n LEU 342 CO 0.36 -0.07 0.88 -0.33 -1.33 0.00 0.00 177.39 176.90 3g45 h GLU 343 N 0.00 0.00 -0.18 3.23 5.08 -1.28 -2.41 114.58 119.02 3g45 h GLU 343 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g45 h GLU 343 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3g45 h GLU 343 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 3g45 n ASP 344 N -2.37 1.78 -0.32 1.42 8.00 -0.60 -4.55 116.55 119.91 3g45 n ASP 344 Ca 0.01 -1.73 0.18 0.00 0.71 0.00 0.00 54.79 53.95 3g45 n ASP 344 Cb 0.17 -0.12 0.35 0.00 -0.02 0.00 0.00 41.12 41.51 3g45 n ASP 344 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3g45 h LEU 345 N 2.35 -0.11 -1.43 0.64 5.85 -1.61 0.33 115.31 121.33 3g45 h LEU 345 Ca 0.00 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3g45 h LEU 345 Cb 0.52 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3g45 h LEU 345 CO 0.00 -0.29 0.00 0.59 -0.34 0.00 0.00 178.44 178.40 3g45 n ASN 346 N -5.33 2.15 -4.83 1.25 3.02 -1.26 -4.78 115.26 105.48 3g45 n ASN 346 Ca 0.26 -1.78 -0.35 0.00 -0.03 0.00 0.00 54.58 52.68 3g45 n ASN 346 Cb 0.84 -0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 39.82 3g45 n ASN 346 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3g45 s LYS 347 N -1.75 3.28 0.39 3.52 1.02 0.12 -4.86 119.74 121.46 3g45 s LYS 347 Ca 0.34 -0.28 0.27 0.00 0.02 0.00 0.00 55.97 56.32 3g45 s LYS 347 Cb 0.19 -3.04 1.42 0.00 -0.52 0.00 0.00 37.83 35.88 3g45 s LYS 347 CO 0.28 0.73 1.82 2.35 -0.92 0.00 0.00 175.35 179.61 3g45 h TRP 348 N 4.68 0.00 -0.25 3.18 2.91 -1.91 -2.47 115.95 122.08 3g45 h TRP 348 Ca -0.52 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.50 3g45 h TRP 348 Cb 1.21 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.86 3g45 h TRP 348 CO 0.70 0.00 0.00 0.41 -1.03 0.00 0.00 178.44 178.52 3g45 n GLY 349 N -1.06 1.03 3.59 2.65 0.00 -1.26 -4.86 105.19 105.28 3g45 n GLY 349 Ca -0.01 -0.60 -0.50 0.00 0.00 0.00 0.00 46.02 44.91 3g45 n GLY 349 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g45 n LEU 350 N 0.97 1.67 -4.46 0.99 0.00 -0.93 -4.89 117.00 110.35 3g45 n LEU 350 Ca 0.18 1.13 -0.43 0.00 0.00 0.00 0.00 56.01 56.88 3g45 n LEU 350 Cb 0.49 -1.22 -0.07 0.00 0.00 0.00 0.00 43.42 42.62 3g45 n LEU 350 CO 0.15 -1.14 0.32 0.21 0.00 0.00 0.00 177.39 176.93 3g45 s ASN 351 N 0.24 6.24 0.43 1.96 3.84 -1.26 -4.91 114.94 121.48 3g45 s ASN 351 Ca 0.78 -0.77 0.23 0.00 0.21 0.00 0.00 52.86 53.31 3g45 s ASN 351 Cb -0.88 -2.29 0.39 0.00 -0.55 0.00 0.00 41.25 37.91 3g45 s ASN 351 CO 0.49 -0.84 1.63 -0.29 -2.79 0.00 0.00 177.10 175.30 3g45 h ILE 352 N 5.85 0.00 -0.27 -5.21 6.09 -1.98 -2.93 117.51 119.07 3g45 h ILE 352 Ca -0.27 -0.97 -0.14 0.00 -1.37 0.00 0.00 64.86 62.12 3g45 h ILE 352 Cb 1.10 1.97 -0.00 0.00 0.47 0.00 0.00 36.82 40.35 3g45 h ILE 352 CO 0.93 0.00 -0.37 -0.26 -3.07 0.00 0.00 178.15 175.38 3g45 h PHE 353 N 0.00 0.89 -0.54 2.19 0.04 -1.96 -2.38 116.94 115.19 3g45 h PHE 353 Ca 0.00 -0.29 -0.10 0.00 2.80 0.00 0.00 57.97 60.37 3g45 h PHE 353 Cb 0.98 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 3g45 h PHE 353 CO 0.00 1.07 -0.07 -0.91 -0.60 0.00 0.00 178.31 177.80 3g45 h ASN 354 N 0.47 0.97 -0.64 2.17 2.35 -1.97 -2.06 115.58 116.87 3g45 h ASN 354 Ca 0.03 -0.30 0.09 0.00 -0.55 0.00 0.00 56.30 55.57 3g45 h ASN 354 Cb 0.96 -0.26 -0.07 0.00 0.05 0.00 0.00 38.32 39.00 3g45 h ASN 354 CO 0.09 1.06 0.28 0.58 -1.65 0.00 0.00 177.43 177.79 3g45 h VAL 355 N 0.88 0.81 -0.38 2.81 2.07 -1.46 -0.96 116.25 120.02 3g45 h VAL 355 Ca 0.15 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3g45 h VAL 355 Cb 0.61 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3g45 h VAL 355 CO 0.04 0.09 0.13 0.00 0.02 0.00 0.00 177.57 177.85 3g45 h ALA 356 N 1.41 0.45 -0.49 1.67 0.00 -1.07 -1.61 119.26 119.61 3g45 h ALA 356 Ca 0.32 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.35 3g45 h ALA 356 Cb 0.36 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3g45 h ALA 356 CO -0.28 -0.26 0.12 0.78 0.00 0.00 0.00 179.25 179.61 3g45 h GLY 357 N 0.29 0.61 -0.90 0.00 0.00 -0.66 0.11 103.07 102.52 3g45 h GLY 357 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3g45 h GLY 357 CO -0.18 -0.05 0.00 -1.72 0.00 0.00 0.00 176.54 174.59 3g45 n TYR 358 N -5.09 0.19 -1.05 5.60 4.01 -0.44 -3.92 117.16 116.48 3g45 n TYR 358 Ca 0.05 -0.10 0.10 0.00 -0.16 0.00 0.00 57.90 57.79 3g45 n TYR 358 Cb 0.23 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.42 3g45 n TYR 358 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3g45 n SER 359 N 0.41 2.66 -3.89 7.72 3.41 -0.63 -4.72 113.62 118.58 3g45 n SER 359 Ca 0.17 -3.07 -0.26 0.00 -0.26 0.00 0.00 58.87 55.45 3g45 n SER 359 Cb 0.36 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 63.87 3g45 n SER 359 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3g45 n HIS 360 N -1.24 -1.91 -3.74 7.33 8.25 -1.20 -2.19 115.22 120.52 3g45 n HIS 360 Ca 0.17 0.82 -0.25 0.00 -0.26 0.00 0.00 57.72 58.20 3g45 n HIS 360 Cb 0.69 -3.93 0.05 0.00 1.12 0.00 0.00 29.99 27.91 3g45 n HIS 360 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3g45 n ASN 361 N -2.94 -4.13 -2.92 0.41 3.02 0.36 -4.95 115.26 104.12 3g45 n ASN 361 Ca -0.18 -0.71 -0.25 0.00 -0.03 0.00 0.00 54.58 53.41 3g45 n ASN 361 Cb 0.62 -4.35 -0.03 0.00 -0.61 0.00 0.00 39.78 35.41 3g45 n ASN 361 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g45 n ARG 362 N -4.62 2.91 0.27 3.52 5.12 -0.93 -4.92 116.66 118.00 3g45 n ARG 362 Ca -0.08 -4.59 0.11 0.00 -1.93 0.00 0.00 57.85 51.37 3g45 n ARG 362 Cb 0.58 -2.15 0.74 0.00 -1.16 0.00 0.00 32.46 30.47 3g45 n ARG 362 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g45 h PRO 363 N 2.94 0.00 0.02 5.56 0.13 -1.85 -1.98 132.00 136.82 3g45 h PRO 363 Ca 0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3g45 h PRO 363 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3g45 h PRO 363 CO 0.77 0.07 -0.01 1.25 -0.23 0.00 0.00 178.00 179.85 3g45 h LEU 364 N 0.00 -0.02 -0.55 1.56 5.85 -1.92 -1.49 115.31 118.74 3g45 h LEU 364 Ca -0.00 -0.69 0.07 0.00 0.84 0.00 0.00 57.88 58.10 3g45 h LEU 364 Cb 0.15 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3g45 h LEU 364 CO 0.01 0.80 0.23 0.74 -0.34 0.00 0.00 178.44 179.87 3g45 h THR 365 N -0.96 0.84 0.19 1.05 2.02 -1.78 0.07 112.91 114.35 3g45 h THR 365 Ca -0.00 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3g45 h THR 365 Cb 0.71 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3g45 h THR 365 CO 0.00 0.08 -0.09 0.00 0.37 0.00 0.00 175.52 175.88 3g45 h ILE 367 N -0.43 1.26 -0.25 0.00 6.09 -0.97 -1.25 117.51 121.96 3g45 h ILE 367 Ca -0.03 -1.07 -0.12 0.00 -1.37 0.00 0.00 64.86 62.28 3g45 h ILE 367 Cb 0.33 0.75 -0.01 0.00 0.47 0.00 0.00 36.82 38.36 3g45 h ILE 367 CO 0.04 0.39 -0.34 0.24 -3.07 0.00 0.00 178.15 175.42 3g45 h MET 368 N 0.94 0.53 -0.11 2.19 2.86 -0.89 0.09 114.93 120.54 3g45 h MET 368 Ca 0.18 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3g45 h MET 368 Cb 0.48 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 3g45 h MET 368 CO 0.02 0.80 0.01 -0.92 1.06 0.00 0.00 176.91 177.88 3g45 h TYR 369 N 0.45 0.20 -0.63 -0.22 3.20 -0.89 -1.66 116.97 117.42 3g45 h TYR 369 Ca 0.05 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.97 3g45 h TYR 369 Cb 0.80 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.96 3g45 h TYR 369 CO 0.03 0.41 0.29 0.00 -1.64 0.00 0.00 178.16 177.25 3g45 h ALA 370 N 0.77 0.83 -0.54 1.82 0.00 -0.89 -0.33 119.26 120.92 3g45 h ALA 370 Ca 0.03 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3g45 h ALA 370 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3g45 h ALA 370 CO 0.00 -0.10 -0.11 0.82 0.00 0.00 0.00 179.25 179.86 3g45 h ILE 371 N 0.51 1.27 -0.17 0.00 2.04 -0.85 0.98 117.51 121.29 3g45 h ILE 371 Ca 0.30 -1.26 -0.15 0.00 1.00 0.00 0.00 64.86 64.75 3g45 h ILE 371 Cb 0.31 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3g45 h ILE 371 CO -0.25 0.45 -0.52 -0.26 0.00 0.00 0.00 178.15 177.56 3g45 h PHE 372 N 0.89 0.59 0.36 1.37 -1.00 -1.02 -0.64 116.94 117.50 3g45 h PHE 372 Ca 0.14 -0.20 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 3g45 h PHE 372 Cb 0.68 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.13 3g45 h PHE 372 CO 0.05 0.90 -0.17 1.96 -1.61 0.00 0.00 178.31 179.43 3g45 h GLN 373 N 0.37 -0.47 -0.69 1.51 1.08 -0.91 0.62 115.11 116.62 3g45 h GLN 373 Ca 0.01 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.38 3g45 h GLN 373 Cb 1.04 0.11 -0.13 0.00 -0.05 0.00 0.00 27.48 28.45 3g45 h GLN 373 CO 0.09 -0.17 -0.15 1.49 -0.95 0.00 0.00 178.83 179.15 3g45 h GLU 374 N -0.78 0.01 -0.02 1.46 4.57 -0.69 -1.28 114.58 117.86 3g45 h GLU 374 Ca -0.05 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3g45 h GLU 374 Cb 0.52 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3g45 h GLU 374 CO 0.08 0.01 -0.03 0.54 -1.18 0.00 0.00 179.01 178.43 3g45 n ARG 375 N -5.45 1.71 -2.75 1.92 1.74 -0.26 -4.94 116.66 108.63 3g45 n ARG 375 Ca 0.09 -1.10 -0.13 0.00 -0.77 0.00 0.00 57.85 55.94 3g45 n ARG 375 Cb 0.37 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.35 3g45 n ARG 375 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3g45 n ASP 376 N 0.31 -4.24 0.07 0.55 4.64 -0.48 -4.94 116.55 112.47 3g45 n ASP 376 Ca 0.17 -0.18 -0.11 0.00 -1.38 0.00 0.00 54.79 53.29 3g45 n ASP 376 Cb 0.40 -3.08 -0.13 0.00 -1.04 0.00 0.00 41.12 37.27 3g45 n ASP 376 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3g45 h LEU 377 N -0.90 0.19 -0.19 -2.67 3.38 -1.17 -2.56 115.31 111.39 3g45 h LEU 377 Ca -0.31 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 3g45 h LEU 377 Cb 1.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3g45 h LEU 377 CO 0.33 1.17 0.10 -0.07 0.09 0.00 0.00 178.44 180.06 3g45 h LEU 378 N 0.03 0.25 0.25 1.67 3.38 -1.87 -1.67 115.31 117.35 3g45 h LEU 378 Ca -0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3g45 h LEU 378 Cb 1.89 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.57 3g45 h LEU 378 CO 0.16 0.28 -0.12 0.11 0.09 0.00 0.00 178.44 178.96 3g45 h LYS 379 N 0.19 -0.32 -0.87 1.13 1.57 -1.83 0.55 116.57 117.00 3g45 h LYS 379 Ca 0.07 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.98 3g45 h LYS 379 Cb 0.10 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.40 3g45 h LYS 379 CO -0.01 -0.13 0.50 1.15 -0.57 0.00 0.00 179.45 180.39 3g45 h THR 380 N -0.44 0.86 -0.55 -0.16 2.02 -1.35 -2.27 112.91 111.02 3g45 h THR 380 Ca -0.03 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3g45 h THR 380 Cb 0.34 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3g45 h THR 380 CO 0.06 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.58 3g45 n PHE 381 N -4.75 1.26 -3.82 3.16 3.72 -0.64 -4.97 117.46 111.42 3g45 n PHE 381 Ca 0.16 -0.63 -0.34 0.00 -0.05 0.00 0.00 57.45 56.58 3g45 n PHE 381 Cb 0.34 -0.22 0.03 0.00 -0.94 0.00 0.00 39.48 38.69 3g45 n PHE 381 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3g45 n ARG 382 N 0.81 -1.24 -4.01 -1.08 1.74 -0.36 -4.59 116.66 107.92 3g45 n ARG 382 Ca 0.23 0.35 -0.35 0.00 -0.77 0.00 0.00 57.85 57.31 3g45 n ARG 382 Cb 0.82 -3.79 -0.13 0.00 -1.02 0.00 0.00 32.46 28.35 3g45 n ARG 382 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3g45 s ILE 383 N -3.56 4.00 0.42 0.55 1.01 0.04 -4.65 121.20 119.02 3g45 s ILE 383 Ca 0.42 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.54 3g45 s ILE 383 Cb -0.17 -2.82 -0.08 0.00 0.01 0.00 0.00 42.46 39.40 3g45 s ILE 383 CO 0.89 0.42 1.09 -0.94 0.00 0.00 0.00 174.94 176.40 3g45 s SER 384 N 1.10 6.52 0.44 3.58 1.04 -1.26 -4.65 113.70 120.45 3g45 s SER 384 Ca 0.03 2.14 0.15 0.00 0.48 0.00 0.00 55.95 58.75 3g45 s SER 384 Cb -0.14 -2.59 1.06 0.00 0.10 0.00 0.00 66.02 64.44 3g45 s SER 384 CO 0.02 -0.66 1.95 0.28 0.98 0.00 0.00 173.24 175.81 3g45 h SER 385 N 2.30 0.36 0.16 7.02 0.02 -1.98 -1.14 113.55 120.28 3g45 h SER 385 Ca -0.49 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 3g45 h SER 385 Cb 1.23 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3g45 h SER 385 CO 0.61 0.20 -0.08 -0.78 -1.14 0.00 0.00 176.83 175.65 3g45 h ASP 386 N 0.39 -0.19 -0.51 3.07 3.58 -1.97 0.57 116.42 121.36 3g45 h ASP 386 Ca 0.32 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.65 3g45 h ASP 386 Cb 0.70 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 3g45 h ASP 386 CO -0.09 -0.07 0.05 0.74 -2.88 0.00 0.00 179.24 176.99 3g45 h THR 387 N -0.29 1.26 -0.20 2.25 2.02 -1.61 -1.36 112.91 114.99 3g45 h THR 387 Ca -0.02 -1.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 3g45 h THR 387 Cb 0.22 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3g45 h THR 387 CO 0.04 0.36 0.12 0.15 0.37 0.00 0.00 175.52 176.55 3g45 h PHE 388 N 0.75 0.26 -0.32 3.16 3.57 -1.13 -0.66 116.94 122.57 3g45 h PHE 388 Ca 0.15 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 3g45 h PHE 388 Cb 0.45 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3g45 h PHE 388 CO 0.03 0.22 -0.38 0.82 -2.23 0.00 0.00 178.31 176.77 3g45 h ILE 389 N 0.23 1.29 -0.53 1.41 2.04 -0.75 0.10 117.51 121.31 3g45 h ILE 389 Ca 0.07 -1.56 0.02 0.00 1.00 0.00 0.00 64.86 64.39 3g45 h ILE 389 Cb 0.04 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3g45 h ILE 389 CO -0.01 0.51 0.33 0.74 0.00 0.00 0.00 178.15 179.71 3g45 h THR 390 N 0.61 1.08 -0.31 -0.27 2.02 -1.16 0.10 112.91 114.97 3g45 h THR 390 Ca 0.04 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3g45 h THR 390 Cb 0.97 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3g45 h THR 390 CO 0.09 0.12 0.09 0.22 0.37 0.00 0.00 175.52 176.41 3g45 h TYR 391 N 0.66 0.52 0.00 3.16 3.20 -1.03 -2.37 116.97 121.11 3g45 h TYR 391 Ca 0.20 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3g45 h TYR 391 Cb -0.02 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3g45 h TYR 391 CO -0.05 0.54 -0.21 0.52 -1.64 0.00 0.00 178.16 177.31 3g45 h MET 392 N 0.35 0.00 0.06 1.82 2.86 -0.43 -0.81 114.93 118.78 3g45 h MET 392 Ca 0.10 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.48 3g45 h MET 392 Cb 0.27 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.94 3g45 h MET 392 CO -0.00 0.21 -1.10 0.52 1.06 0.00 0.00 176.91 177.60 3g45 h MET 393 N 0.00 0.43 -0.49 1.72 2.86 -0.74 -2.21 114.93 116.50 3g45 h MET 393 Ca -0.00 -0.55 -0.09 0.00 -2.06 0.00 0.00 59.70 57.00 3g45 h MET 393 Cb 0.49 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 3g45 h MET 393 CO 0.03 1.21 -0.03 1.15 1.06 0.00 0.00 176.91 180.32 3g45 h THR 394 N 0.20 1.27 0.16 2.22 2.02 -1.06 -1.10 112.91 116.62 3g45 h THR 394 Ca -0.12 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 3g45 h THR 394 Cb 1.77 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 3g45 h THR 394 CO 0.19 0.40 -0.07 0.25 0.37 0.00 0.00 175.52 176.65 3g45 h LEU 395 N 0.75 -0.18 -0.69 2.58 5.85 -1.21 -2.41 115.31 120.00 3g45 h LEU 395 Ca 0.14 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.86 3g45 h LEU 395 Cb 0.56 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 3g45 h LEU 395 CO 0.03 -0.01 0.31 -0.08 -0.34 0.00 0.00 178.44 178.35 3g45 h GLU 396 N -0.34 0.50 -0.00 1.25 4.81 -1.37 -1.43 114.58 118.00 3g45 h GLU 396 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3g45 h GLU 396 Cb 0.27 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3g45 h GLU 396 CO 0.03 0.33 0.00 -0.44 -0.73 0.00 0.00 179.01 178.21 3g45 h ASP 397 N 0.51 0.00 0.27 1.04 5.19 -1.02 -1.83 116.42 120.59 3g45 h ASP 397 Ca 0.35 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 3g45 h ASP 397 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 3g45 h ASP 397 CO -0.31 0.00 -0.14 1.41 -3.12 0.00 0.00 179.24 177.08 3g45 n HIS 398 N -4.48 0.00 -2.71 4.55 8.25 -0.56 -4.72 115.22 115.55 3g45 n HIS 398 Ca -0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.05 3g45 n HIS 398 Cb 0.09 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.01 3g45 n HIS 398 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3g45 s TYR 399 N -2.42 3.74 -0.17 4.41 1.51 -0.69 -1.53 117.35 122.20 3g45 s TYR 399 Ca 0.29 1.81 -0.15 0.00 -1.01 0.00 0.00 57.07 58.01 3g45 s TYR 399 Cb 0.20 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.00 3g45 s TYR 399 CO 0.47 0.13 0.33 -1.01 -1.11 0.00 0.00 175.55 174.36 3g45 s HIS 400 N -1.43 3.43 -0.68 2.71 3.76 -1.26 -4.81 115.29 117.01 3g45 s HIS 400 Ca 0.47 0.61 0.25 0.00 -0.15 0.00 0.00 55.06 56.24 3g45 s HIS 400 Cb -0.23 -2.41 0.67 0.00 1.11 0.00 0.00 32.58 31.72 3g45 s HIS 400 CO 0.29 0.15 1.67 0.77 -0.85 0.00 0.00 174.74 176.76 3g45 h SER 401 N 6.95 0.00 0.15 1.40 0.02 -1.94 -3.02 113.55 117.11 3g45 h SER 401 Ca -0.39 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3g45 h SER 401 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3g45 h SER 401 CO 0.74 0.02 0.00 -0.90 -1.14 0.00 0.00 176.83 175.55 3g45 n ASP 402 N -2.31 0.00 -4.67 3.07 5.75 -1.26 -4.72 116.55 112.41 3g45 n ASP 402 Ca 0.05 -0.76 -0.37 0.00 -0.01 0.00 0.00 54.79 53.70 3g45 n ASP 402 Cb 0.44 -0.08 -0.09 0.00 -1.03 0.00 0.00 41.12 40.36 3g45 n ASP 402 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3g45 s VAL 403 N -2.15 5.35 0.41 2.12 1.01 -1.14 -5.00 120.40 121.00 3g45 s VAL 403 Ca 0.42 0.22 0.12 0.00 0.00 0.00 0.00 61.98 62.74 3g45 s VAL 403 Cb 0.21 -3.51 0.16 0.00 0.00 0.00 0.00 36.38 33.24 3g45 s VAL 403 CO 0.39 0.34 1.94 0.00 0.00 0.00 0.00 175.10 177.77 3g45 h ALA 404 N 7.46 1.57 0.00 5.51 0.00 -1.85 -3.39 119.26 128.56 3g45 h ALA 404 Ca -0.38 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3g45 h ALA 404 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3g45 h ALA 404 CO 0.67 0.31 -0.73 0.98 0.00 0.00 0.00 179.25 180.48 3g45 n TYR 405 N -4.27 -0.05 -1.54 0.00 9.36 -1.26 -4.78 117.16 114.61 3g45 n TYR 405 Ca -0.02 0.01 -0.40 0.00 3.32 0.00 0.00 57.90 60.81 3g45 n TYR 405 Cb 0.28 0.06 -0.02 0.00 -0.63 0.00 0.00 39.34 39.03 3g45 n TYR 405 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3g45 n HIS 406 N -3.04 2.65 -4.58 2.98 8.25 -1.26 -4.23 115.22 115.99 3g45 n HIS 406 Ca 0.00 -3.02 -0.28 0.00 -0.26 0.00 0.00 57.72 54.16 3g45 n HIS 406 Cb 0.37 -2.37 -0.08 0.00 1.12 0.00 0.00 29.99 29.03 3g45 n HIS 406 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3g45 s ASN 407 N 1.95 3.18 0.57 0.41 2.20 -1.26 -4.54 114.94 117.45 3g45 s ASN 407 Ca 0.62 -1.70 0.29 0.00 -0.94 0.00 0.00 52.86 51.13 3g45 s ASN 407 Cb 0.17 0.56 1.48 0.00 -2.00 0.00 0.00 41.25 41.46 3g45 s ASN 407 CO -0.07 -0.94 1.92 0.77 -2.94 0.00 0.00 177.10 175.84 3g45 h SER 408 N 1.65 0.00 0.16 3.54 4.64 -1.87 -0.86 113.55 120.80 3g45 h SER 408 Ca -0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 3g45 h SER 408 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3g45 h SER 408 CO 0.60 0.00 -0.08 0.25 -0.87 0.00 0.00 176.83 176.73 3g45 h LEU 409 N 0.00 -0.18 -1.03 5.97 5.85 -1.96 0.14 115.31 124.09 3g45 h LEU 409 Ca 0.25 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3g45 h LEU 409 Cb 1.21 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 3g45 h LEU 409 CO -0.00 -0.08 0.63 -0.74 -0.34 0.00 0.00 178.44 177.90 3g45 h HIS 410 N -0.27 1.23 -0.71 1.25 2.76 -1.33 0.21 115.15 118.28 3g45 h HIS 410 Ca -0.02 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3g45 h HIS 410 Cb 0.21 -0.41 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 3g45 h HIS 410 CO -0.05 0.78 0.40 0.00 -1.30 0.00 0.00 177.93 177.76 3g45 h ALA 411 N 1.38 0.91 -0.45 5.26 0.00 -1.20 -1.24 119.26 123.92 3g45 h ALA 411 Ca 0.35 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3g45 h ALA 411 Cb -0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 3g45 h ALA 411 CO -0.07 0.42 -0.14 0.00 0.00 0.00 0.00 179.25 179.45 3g45 h ALA 412 N 1.20 0.62 -0.28 0.00 0.00 -0.11 -0.83 119.26 119.86 3g45 h ALA 412 Ca 0.25 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3g45 h ALA 412 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3g45 h ALA 412 CO -0.04 0.55 0.15 0.22 0.00 0.00 0.00 179.25 180.13 3g45 h ASP 413 N 0.73 0.36 -0.28 0.00 3.58 -0.83 -0.05 116.42 119.92 3g45 h ASP 413 Ca 0.11 -0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.36 3g45 h ASP 413 Cb 0.70 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 3g45 h ASP 413 CO 0.05 0.35 -0.20 0.58 -2.88 0.00 0.00 179.24 177.14 3g45 h VAL 414 N 0.34 1.27 -0.30 2.25 2.07 -1.06 0.91 116.25 121.73 3g45 h VAL 414 Ca 0.10 -1.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 3g45 h VAL 414 Cb 0.07 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3g45 h VAL 414 CO -0.02 0.43 -0.11 0.00 0.02 0.00 0.00 177.57 177.90 3g45 h ALA 415 N 1.12 0.42 -0.31 1.67 0.00 -1.08 -0.67 119.26 120.42 3g45 h ALA 415 Ca 0.10 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3g45 h ALA 415 Cb 0.69 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3g45 h ALA 415 CO 0.05 0.28 -0.19 0.37 0.00 0.00 0.00 179.25 179.76 3g45 h GLN 416 N 0.37 0.56 -0.16 0.00 -0.00 -0.75 -1.10 115.11 114.04 3g45 h GLN 416 Ca 0.07 -0.20 -0.18 0.00 -0.00 0.00 0.00 58.65 58.34 3g45 h GLN 416 Cb 0.61 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.05 3g45 h GLN 416 CO 0.04 0.73 -0.65 0.77 0.00 0.00 0.00 178.83 179.71 3g45 h SER 417 N 0.51 0.70 -0.83 -0.69 0.02 -0.78 -1.84 113.55 110.63 3g45 h SER 417 Ca 0.08 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 3g45 h SER 417 Cb 0.62 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 3g45 h SER 417 CO 0.04 1.17 0.39 0.74 -1.14 0.00 0.00 176.83 178.03 3g45 h THR 418 N 0.44 1.26 -0.94 -2.27 2.02 -0.94 -0.47 112.91 112.00 3g45 h THR 418 Ca -0.02 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3g45 h THR 418 Cb 1.23 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 3g45 h THR 418 CO 0.13 0.32 0.62 -0.74 0.37 0.00 0.00 175.52 176.21 3g45 h HIS 419 N 1.19 1.17 -0.04 3.16 -0.00 -0.89 -0.11 115.15 119.63 3g45 h HIS 419 Ca 0.28 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.66 3g45 h HIS 419 Cb 0.14 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 27.15 3g45 h HIS 419 CO 0.02 0.71 -0.08 0.28 -0.00 0.00 0.00 177.93 178.85 3g45 h VAL 420 N 1.23 1.44 -1.00 5.26 2.07 -1.01 -3.30 116.25 120.95 3g45 h VAL 420 Ca 0.36 -1.42 0.12 0.00 0.82 0.00 0.00 66.70 66.59 3g45 h VAL 420 Cb -0.07 2.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.91 3g45 h VAL 420 CO -0.09 0.38 0.62 -0.07 0.02 0.00 0.00 177.57 178.43 3g45 h LEU 421 N -0.42 0.91 -2.21 2.57 3.38 -0.74 0.08 115.31 118.88 3g45 h LEU 421 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3g45 h LEU 421 Cb 0.66 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3g45 h LEU 421 CO 0.02 0.47 0.00 -0.07 0.09 0.00 0.00 178.44 178.95 3g45 h LEU 422 N 0.97 0.00 -1.39 1.67 3.38 -1.10 -0.86 115.31 117.99 3g45 h LEU 422 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3g45 h LEU 422 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3g45 h LEU 422 CO -0.27 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.06 3g45 n SER 423 N -2.87 2.09 -4.63 -0.43 7.64 0.01 -3.98 113.62 111.44 3g45 n SER 423 Ca -0.02 -1.76 -0.49 0.00 1.01 0.00 0.00 58.87 57.62 3g45 n SER 423 Cb 0.13 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.16 3g45 n SER 423 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3g45 n THR 424 N 0.61 0.02 -0.17 0.44 5.66 -0.33 -4.67 114.28 115.83 3g45 n THR 424 Ca 0.17 -0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.35 3g45 n THR 424 Cb 0.41 -1.20 0.55 0.00 -1.55 0.00 0.00 70.33 68.53 3g45 n THR 424 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3g45 h PRO 425 N 5.36 0.32 0.00 1.09 0.11 -1.91 0.09 132.00 137.06 3g45 h PRO 425 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3g45 h PRO 425 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3g45 h PRO 425 CO 0.84 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.84 3g45 h ALA 426 N 1.64 1.00 0.00 -0.75 0.00 -1.84 -3.28 119.26 116.02 3g45 h ALA 426 Ca 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3g45 h ALA 426 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3g45 h ALA 426 CO -0.11 0.00 -1.05 1.28 0.00 0.00 0.00 179.25 179.37 3g45 n LEU 427 N -2.40 0.00 -0.38 0.00 4.77 -0.39 -1.36 117.00 117.24 3g45 n LEU 427 Ca 0.02 0.00 0.30 0.00 -0.03 0.00 0.00 56.01 56.30 3g45 n LEU 427 Cb 0.25 0.01 0.58 0.00 -2.33 0.00 0.00 43.42 41.93 3g45 n LEU 427 CO 0.21 0.01 1.23 -0.78 -1.33 0.00 0.00 177.39 176.73 3g45 h ASP 428 N 0.00 0.34 1.30 -1.43 3.58 -1.10 0.53 116.42 119.63 3g45 h ASP 428 Ca -0.01 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3g45 h ASP 428 Cb 0.48 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.60 3g45 h ASP 428 CO 0.00 -0.05 -0.53 0.00 -2.88 0.00 0.00 179.24 175.77 3g45 h ALA 429 N 1.61 0.71 -0.09 -0.78 0.00 -1.87 -3.40 119.26 115.44 3g45 h ALA 429 Ca 0.70 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.56 3g45 h ALA 429 Cb 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 3g45 h ALA 429 CO -0.35 0.00 -0.15 0.28 0.00 0.00 0.00 179.25 179.03 3g45 h VAL 430 N 0.00 1.40 -3.18 0.00 2.07 -0.24 -3.46 116.25 112.84 3g45 h VAL 430 Ca 0.00 -1.42 -0.58 0.00 0.82 0.00 0.00 66.70 65.52 3g45 h VAL 430 Cb 0.92 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.76 3g45 h VAL 430 CO 0.00 0.40 -0.09 -0.36 0.02 0.00 0.00 177.57 177.55 3g45 s PHE 431 N -4.03 3.77 0.92 1.57 0.08 -1.24 -5.07 117.98 113.98 3g45 s PHE 431 Ca -0.15 1.18 -0.12 0.00 0.12 0.00 0.00 56.93 57.96 3g45 s PHE 431 Cb 0.04 -2.44 0.14 0.00 -0.57 0.00 0.00 43.02 40.18 3g45 s PHE 431 CO 0.74 0.58 1.11 0.95 -0.10 0.00 0.00 175.22 178.50 3g45 s THR 432 N -1.01 2.36 0.31 0.64 -4.23 -1.26 -4.81 115.64 107.64 3g45 s THR 432 Ca 0.27 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.94 3g45 s THR 432 Cb -0.19 -2.73 0.11 0.00 1.34 0.00 0.00 72.50 71.03 3g45 s THR 432 CO 0.17 -0.15 1.79 0.44 -0.54 0.00 0.00 174.62 176.33 3g45 h ASP 433 N -1.56 0.47 -0.46 3.99 3.32 -1.98 0.33 116.42 120.53 3g45 h ASP 433 Ca -0.51 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.41 3g45 h ASP 433 Cb 1.31 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 3g45 h ASP 433 CO 0.59 0.65 0.28 0.25 -1.72 0.00 0.00 179.24 179.29 3g45 h LEU 434 N 0.45 0.55 -0.66 1.55 5.85 -1.99 0.40 115.31 121.47 3g45 h LEU 434 Ca 0.08 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 3g45 h LEU 434 Cb 0.52 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3g45 h LEU 434 CO 0.03 0.44 0.11 -0.33 -0.34 0.00 0.00 178.44 178.35 3g45 h GLU 435 N 0.62 1.09 -0.39 1.25 5.08 -1.85 0.03 114.58 120.40 3g45 h GLU 435 Ca 0.17 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3g45 h GLU 435 Cb -0.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3g45 h GLU 435 CO -0.03 1.00 0.24 0.82 -1.00 0.00 0.00 179.01 180.04 3g45 h ILE 436 N 1.01 1.13 -0.40 3.13 2.04 -0.24 -1.73 117.51 122.44 3g45 h ILE 436 Ca 0.20 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3g45 h ILE 436 Cb 0.44 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3g45 h ILE 436 CO 0.01 0.13 0.24 0.25 0.00 0.00 0.00 178.15 178.78 3g45 h LEU 437 N 0.52 0.39 -0.10 1.44 5.85 -0.04 -2.21 115.31 121.17 3g45 h LEU 437 Ca 0.14 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3g45 h LEU 437 Cb -0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3g45 h LEU 437 CO -0.03 0.28 -0.01 0.00 -0.34 0.00 0.00 178.44 178.35 3g45 h ALA 438 N 1.18 0.07 -0.45 1.25 0.00 -0.88 -1.04 119.26 119.39 3g45 h ALA 438 Ca 0.16 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3g45 h ALA 438 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3g45 h ALA 438 CO -0.07 -0.47 0.23 0.00 0.00 0.00 0.00 179.25 178.94 3g45 h ALA 439 N 1.09 0.57 -0.00 0.00 0.00 -1.12 0.31 119.26 120.10 3g45 h ALA 439 Ca 0.04 0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 3g45 h ALA 439 Cb 0.06 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.79 3g45 h ALA 439 CO -0.08 -0.12 -1.02 0.82 0.00 0.00 0.00 179.25 178.85 3g45 h ILE 440 N 0.46 1.30 -0.23 0.00 2.04 -1.24 -1.61 117.51 118.24 3g45 h ILE 440 Ca 0.19 -2.29 -0.00 0.00 1.00 0.00 0.00 64.86 63.77 3g45 h ILE 440 Cb 0.09 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 3g45 h ILE 440 CO -0.13 0.70 0.14 0.15 0.00 0.00 0.00 178.15 179.01 3g45 h PHE 441 N 0.36 0.31 -0.57 1.37 3.57 -1.11 -1.41 116.94 119.46 3g45 h PHE 441 Ca -0.12 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.49 3g45 h PHE 441 Cb 1.67 -0.10 -0.11 0.00 2.79 0.00 0.00 35.95 40.20 3g45 h PHE 441 CO 0.09 0.24 -0.29 0.00 -2.23 0.00 0.00 178.31 176.13 3g45 h ALA 442 N 1.04 0.06 -0.11 2.41 0.00 -0.28 -1.52 119.26 120.85 3g45 h ALA 442 Ca 0.08 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3g45 h ALA 442 Cb 0.03 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3g45 h ALA 442 CO -0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 179.25 178.55 3g45 h ALA 443 N 1.13 0.03 -0.59 0.00 0.00 -1.07 -0.16 119.26 118.60 3g45 h ALA 443 Ca 0.24 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.32 3g45 h ALA 443 Cb 0.53 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 3g45 h ALA 443 CO -0.65 -0.52 0.01 0.00 0.00 0.00 0.00 179.25 178.09 3g45 h ALA 444 N 1.04 0.58 -0.00 0.00 0.00 -0.69 -2.85 119.26 117.34 3g45 h ALA 444 Ca 0.07 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3g45 h ALA 444 Cb 0.16 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3g45 h ALA 444 CO -0.15 -0.39 -0.56 0.44 0.00 0.00 0.00 179.25 178.59 3g45 n ILE 445 N -5.26 0.00 0.11 0.00 -5.35 -0.63 -4.60 119.36 103.63 3g45 n ILE 445 Ca 0.08 -0.07 0.20 0.00 -0.27 0.00 0.00 62.75 62.69 3g45 n ILE 445 Cb 0.34 0.64 0.73 0.00 -1.74 0.00 0.00 39.64 39.61 3g45 n ILE 445 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3g45 h HIS 446 N 0.70 0.00 0.00 4.28 2.07 -0.78 -0.36 115.15 121.06 3g45 h HIS 446 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3g45 h HIS 446 Cb 0.54 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.52 3g45 h HIS 446 CO 0.00 0.00 -0.17 -0.25 -3.07 0.00 0.00 177.93 174.44 3g45 n ASP 447 N -3.56 1.58 -4.70 3.10 8.00 -1.26 -4.87 116.55 114.84 3g45 n ASP 447 Ca 0.07 -2.75 -0.42 0.00 0.71 0.00 0.00 54.79 52.40 3g45 n ASP 447 Cb 0.64 -0.36 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3g45 n ASP 447 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3g45 n VAL 448 N -0.96 2.14 -2.03 2.53 3.14 -0.15 -2.09 118.33 120.91 3g45 n VAL 448 Ca 0.11 -0.50 -0.18 0.00 -2.96 0.00 0.00 64.34 60.81 3g45 n VAL 448 Cb 0.66 -1.60 -0.04 0.00 -1.06 0.00 0.00 33.84 31.81 3g45 n VAL 448 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3g45 n ASP 449 N 0.60 -5.25 -4.71 6.55 2.03 -0.58 -4.27 116.55 110.92 3g45 n ASP 449 Ca 0.05 0.17 -0.42 0.00 0.52 0.00 0.00 54.79 55.10 3g45 n ASP 449 Cb 0.37 -4.33 -0.03 0.00 -0.72 0.00 0.00 41.12 36.41 3g45 n ASP 449 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3g45 s HIS 450 N -2.82 3.08 -0.99 -0.67 2.46 -0.89 -4.93 115.29 110.53 3g45 s HIS 450 Ca 0.00 0.83 0.27 0.00 0.47 0.00 0.00 55.06 56.63 3g45 s HIS 450 Cb 0.00 -3.73 0.86 0.00 -0.13 0.00 0.00 32.58 29.57 3g45 s HIS 450 CO 0.00 -2.65 1.66 -0.35 -2.47 0.00 0.00 174.74 170.93 3g45 n PRO 451 N 4.35 0.01 -0.35 2.88 -0.04 -1.26 -4.55 135.00 136.05 3g45 n PRO 451 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3g45 n PRO 451 Cb 0.42 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 3g45 n PRO 451 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g45 n GLY 452 N 1.49 0.79 3.13 0.55 0.00 -1.26 -4.94 105.19 104.95 3g45 n GLY 452 Ca 0.06 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 3g45 n GLY 452 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g45 s VAL 453 N -2.00 0.82 0.67 1.61 -7.23 -1.26 -4.64 120.40 108.37 3g45 s VAL 453 Ca 0.00 -1.34 -0.13 0.00 -1.81 0.00 0.00 61.98 58.69 3g45 s VAL 453 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 3g45 s VAL 453 CO 0.00 -0.41 1.08 -0.94 -0.31 0.00 0.00 175.10 174.52 3g45 s SER 454 N -1.94 5.21 0.36 4.85 1.04 -1.26 -4.89 113.70 117.06 3g45 s SER 454 Ca -0.02 1.83 0.15 0.00 0.48 0.00 0.00 55.95 58.39 3g45 s SER 454 Cb -0.07 -2.53 1.06 0.00 0.10 0.00 0.00 66.02 64.58 3g45 s SER 454 CO 0.01 -1.56 1.70 0.78 0.98 0.00 0.00 173.24 175.15 3g45 h ASN 455 N -0.28 0.52 0.06 7.02 2.35 -2.00 -2.21 115.58 121.04 3g45 h ASN 455 Ca -0.45 0.15 -0.19 0.00 -0.55 0.00 0.00 56.30 55.25 3g45 h ASN 455 Cb 1.23 0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.68 3g45 h ASN 455 CO 0.55 -0.02 -0.71 -0.61 -1.65 0.00 0.00 177.43 174.99 3g45 h GLN 456 N 0.39 0.58 -0.60 0.81 5.75 -1.95 -1.87 115.11 118.22 3g45 h GLN 456 Ca 0.69 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 3g45 h GLN 456 Cb 1.59 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 30.20 3g45 h GLN 456 CO -0.48 1.07 0.39 0.35 -2.65 0.00 0.00 178.83 177.51 3g45 h PHE 457 N 0.41 0.76 -0.16 3.99 3.04 -1.82 0.15 116.94 123.31 3g45 h PHE 457 Ca -0.03 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 3g45 h PHE 457 Cb 1.29 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.54 3g45 h PHE 457 CO 0.06 0.49 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.76 3g45 h LEU 458 N 0.81 0.20 0.21 0.59 3.38 -1.28 0.22 115.31 119.45 3g45 h LEU 458 Ca 0.22 -0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.89 3g45 h LEU 458 Cb -0.08 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 40.65 3g45 h LEU 458 CO -0.05 0.26 -1.23 0.40 0.09 0.00 0.00 178.44 177.91 3g45 h ILE 459 N 0.22 1.37 -0.18 1.22 2.04 -1.05 0.41 117.51 121.55 3g45 h ILE 459 Ca 0.05 -2.64 -0.10 0.00 1.00 0.00 0.00 64.86 63.18 3g45 h ILE 459 Cb 0.17 3.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 3g45 h ILE 459 CO 0.00 0.77 -0.31 0.78 0.00 0.00 0.00 178.15 179.40 3g45 h ASN 460 N -0.06 0.36 -0.34 1.72 2.35 -0.36 -2.59 115.58 116.67 3g45 h ASN 460 Ca -0.21 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 3g45 h ASN 460 Cb 1.97 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.24 3g45 h ASN 460 CO 0.23 0.66 0.00 0.35 -1.65 0.00 0.00 177.43 177.02 3g45 n THR 461 N -4.10 0.45 -3.78 2.81 -2.24 0.73 -4.94 114.28 103.21 3g45 n THR 461 Ca -0.01 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 61.04 3g45 n THR 461 Cb 0.42 0.33 0.02 0.00 -2.10 0.00 0.00 70.33 69.00 3g45 n THR 461 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3g45 n ASN 462 N 0.62 -1.83 -4.66 3.42 3.02 -0.98 -4.93 115.26 109.91 3g45 n ASN 462 Ca 0.14 -0.84 -0.37 0.00 -0.03 0.00 0.00 54.58 53.49 3g45 n ASN 462 Cb 0.35 -3.89 0.07 0.00 -0.61 0.00 0.00 39.78 35.70 3g45 n ASN 462 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3g45 n SER 463 N -3.00 1.23 -0.20 6.41 2.88 0.13 -4.86 113.62 116.22 3g45 n SER 463 Ca -0.23 0.78 0.10 0.00 -1.33 0.00 0.00 58.87 58.19 3g45 n SER 463 Cb 0.65 -1.46 0.39 0.00 -0.75 0.00 0.00 64.21 63.04 3g45 n SER 463 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3g45 h GLU 464 N 0.28 0.64 -0.22 -1.46 4.39 -1.92 -1.04 114.58 115.26 3g45 h GLU 464 Ca -0.49 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 3g45 h GLU 464 Cb 1.35 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 3g45 h GLU 464 CO 0.51 0.42 0.01 1.25 -1.16 0.00 0.00 179.01 180.04 3g45 h LEU 465 N 0.66 0.36 -1.05 1.33 5.85 -1.92 0.26 115.31 120.80 3g45 h LEU 465 Ca 0.36 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3g45 h LEU 465 Cb 0.51 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 3g45 h LEU 465 CO -0.13 0.57 0.64 0.00 -0.34 0.00 0.00 178.44 179.17 3g45 h ALA 466 N 0.81 1.37 -0.34 1.25 0.00 -1.71 -1.14 119.26 119.50 3g45 h ALA 466 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3g45 h ALA 466 Cb 0.37 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3g45 h ALA 466 CO 0.01 0.54 -0.03 1.25 0.00 0.00 0.00 179.25 181.02 3g45 h LEU 467 N 1.23 0.62 -0.79 0.00 6.46 -0.86 0.30 115.31 122.28 3g45 h LEU 467 Ca 0.38 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 3g45 h LEU 467 Cb -0.01 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.72 3g45 h LEU 467 CO -0.11 0.80 0.36 -0.03 -0.62 0.00 0.00 178.44 178.83 3g45 h MET 468 N 0.42 1.15 -0.50 1.25 4.05 -0.02 -3.17 114.93 118.12 3g45 h MET 468 Ca 0.09 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3g45 h MET 468 Cb 0.50 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 3g45 h MET 468 CO 0.02 0.90 0.00 0.66 0.23 0.00 0.00 176.91 178.73 3g45 n TYR 469 N -4.34 0.95 -3.68 1.39 4.01 -0.47 -4.99 117.16 110.02 3g45 n TYR 469 Ca 0.07 -0.59 -0.25 0.00 -0.16 0.00 0.00 57.90 56.96 3g45 n TYR 469 Cb 0.15 -0.13 0.07 0.00 -0.31 0.00 0.00 39.34 39.12 3g45 n TYR 469 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3g45 n ASN 470 N 0.75 -5.89 0.00 7.72 3.02 0.03 -2.89 115.26 118.01 3g45 n ASN 470 Ca 0.20 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 3g45 n ASN 470 Cb 0.68 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.11 3g45 n ASN 470 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3g45 n ASP 471 N -2.97 0.00 -4.30 6.41 8.00 -0.83 -4.95 116.55 117.91 3g45 n ASP 471 Ca 0.01 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.15 3g45 n ASP 471 Cb 0.55 -1.82 -0.13 0.00 -0.02 0.00 0.00 41.12 39.70 3g45 n ASP 471 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3g45 s GLU 472 N -0.64 3.08 -1.15 -1.24 2.02 -1.14 -4.62 118.70 115.01 3g45 s GLU 472 Ca 0.00 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 53.99 3g45 s GLU 472 Cb 0.00 -3.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 3g45 s GLU 472 CO 0.00 -0.38 0.79 0.43 0.02 0.00 0.00 175.26 176.11 3g45 n SER 473 N 4.80 -4.96 0.39 -0.19 7.64 -1.26 -4.92 113.62 115.12 3g45 n SER 473 Ca -0.16 -0.96 -0.16 0.00 1.01 0.00 0.00 58.87 58.61 3g45 n SER 473 Cb 0.48 -3.67 -0.08 0.00 -1.01 0.00 0.00 64.21 59.94 3g45 n SER 473 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g45 h VAL 474 N -1.78 0.03 -0.33 0.44 2.07 -1.89 -2.16 116.25 112.64 3g45 h VAL 474 Ca -0.65 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3g45 h VAL 474 Cb 1.35 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3g45 h VAL 474 CO 0.49 0.00 0.17 -0.07 0.02 0.00 0.00 177.57 178.18 3g45 h LEU 475 N -1.26 0.42 -1.04 2.57 3.38 -1.94 -2.55 115.31 114.90 3g45 h LEU 475 Ca -0.10 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3g45 h LEU 475 Cb 0.78 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3g45 h LEU 475 CO 0.17 0.42 0.34 -0.33 0.09 0.00 0.00 178.44 179.13 3g45 h GLU 476 N 0.40 1.02 -0.52 1.13 3.07 -1.91 0.25 114.58 118.03 3g45 h GLU 476 Ca 0.11 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 3g45 h GLU 476 Cb 0.10 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 3g45 h GLU 476 CO -0.02 0.79 0.24 -0.91 -1.40 0.00 0.00 179.01 177.72 3g45 h ASN 477 N 1.02 0.68 -0.13 1.42 2.35 -1.32 -2.49 115.58 117.11 3g45 h ASN 477 Ca 0.25 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3g45 h ASN 477 Cb 0.11 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3g45 h ASN 477 CO -0.03 0.62 0.07 -0.74 -1.65 0.00 0.00 177.43 175.70 3g45 h HIS 478 N 0.69 0.17 -0.71 1.19 2.76 -0.76 -1.65 115.15 116.85 3g45 h HIS 478 Ca 0.18 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.47 3g45 h HIS 478 Cb 0.13 -0.05 -0.09 0.00 1.55 0.00 0.00 27.41 28.94 3g45 h HIS 478 CO -0.00 0.18 0.25 0.45 -1.30 0.00 0.00 177.93 177.50 3g45 h HIS 479 N 0.11 0.43 -0.62 5.26 3.86 -0.52 -0.56 115.15 123.10 3g45 h HIS 479 Ca 0.04 0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.20 3g45 h HIS 479 Cb 0.06 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3g45 h HIS 479 CO -0.05 0.04 0.02 -0.07 0.86 0.00 0.00 177.93 178.74 3g45 h LEU 480 N 0.40 1.06 0.01 2.43 3.38 -1.07 -1.61 115.31 119.91 3g45 h LEU 480 Ca 0.38 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3g45 h LEU 480 Cb 0.57 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3g45 h LEU 480 CO -0.40 1.09 -0.01 0.00 0.09 0.00 0.00 178.44 179.22 3g45 h ALA 481 N 1.00 -0.02 0.09 1.53 0.00 -0.33 -2.41 119.26 119.13 3g45 h ALA 481 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3g45 h ALA 481 Cb 0.54 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3g45 h ALA 481 CO 0.03 -0.42 -0.07 0.28 0.00 0.00 0.00 179.25 179.06 3g45 h VAL 482 N -0.20 0.84 -0.94 0.00 2.07 -1.08 0.34 116.25 117.27 3g45 h VAL 482 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3g45 h VAL 482 Cb 0.19 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 3g45 h VAL 482 CO 0.00 0.00 0.56 1.23 0.02 0.00 0.00 177.57 179.38 3g45 h GLY 483 N -0.18 1.53 1.30 2.17 0.00 -1.18 -0.94 103.07 105.78 3g45 h GLY 483 Ca -0.00 -0.37 -0.32 0.00 0.00 0.00 0.00 47.33 46.64 3g45 h GLY 483 CO -0.01 0.10 -1.47 0.74 0.00 0.00 0.00 176.54 175.90 3g45 h PHE 484 N 0.87 0.75 -0.75 5.60 0.04 -1.31 -3.31 116.94 118.84 3g45 h PHE 484 Ca 0.48 -0.55 0.08 0.00 2.80 0.00 0.00 57.97 60.77 3g45 h PHE 484 Cb 0.52 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.59 3g45 h PHE 484 CO -0.03 1.49 0.49 -0.22 -0.60 0.00 0.00 178.31 179.44 3g45 h LYS 485 N 0.11 0.72 0.00 1.51 1.63 -0.34 -2.21 116.57 118.00 3g45 h LYS 485 Ca -0.24 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.50 3g45 h LYS 485 Cb 2.09 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 33.56 3g45 h LYS 485 CO 0.23 0.48 -0.09 -0.07 -3.45 0.00 0.00 179.45 176.55 3g45 h LEU 486 N 0.74 0.00 -2.81 5.20 3.38 -1.28 -2.09 115.31 118.45 3g45 h LEU 486 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3g45 h LEU 486 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3g45 h LEU 486 CO -0.12 0.09 0.02 -0.07 0.09 0.00 0.00 178.44 178.45 3g45 h LEU 487 N 0.00 0.00 0.00 1.67 3.38 -1.53 -2.47 115.31 116.36 3g45 h LEU 487 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g45 h LEU 487 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3g45 h LEU 487 CO 0.01 0.00 -0.46 1.56 0.09 0.00 0.00 178.44 179.65 3g45 h GLN 488 N 0.00 0.00 -7.25 1.13 4.20 -1.54 -2.88 115.11 108.77 3g45 h GLN 488 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 3g45 h GLN 488 Cb 0.03 0.00 0.19 0.00 0.30 0.00 0.00 27.48 28.01 3g45 h GLN 488 CO -0.00 0.00 0.19 -1.21 -0.67 0.00 0.00 178.83 177.14 3g45 s GLU 489 N -3.21 0.69 0.08 1.46 2.02 -0.93 -4.90 118.70 113.90 3g45 s GLU 489 Ca 0.06 1.33 -0.31 0.00 0.02 0.00 0.00 54.97 56.06 3g45 s GLU 489 Cb 0.10 -1.71 -0.08 0.00 0.10 0.00 0.00 34.13 32.55 3g45 s GLU 489 CO 0.70 -2.78 1.57 -2.00 0.02 0.00 0.00 175.26 172.77 3g45 s GLU 490 N -4.64 4.23 -1.41 1.61 2.12 -1.26 -2.64 118.70 116.70 3g45 s GLU 490 Ca 0.66 2.25 -0.04 0.00 0.36 0.00 0.00 54.97 58.20 3g45 s GLU 490 Cb -0.23 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.68 3g45 s GLU 490 CO 0.59 -0.66 0.59 0.72 -0.54 0.00 0.00 175.26 175.96 3g45 n HIS 491 N 5.14 -1.84 -0.00 5.30 8.25 -1.26 -4.95 115.22 125.86 3g45 n HIS 491 Ca 0.15 0.50 0.00 0.00 -0.26 0.00 0.00 57.72 58.11 3g45 n HIS 491 Cb 0.41 -4.23 0.00 0.00 1.12 0.00 0.00 29.99 27.29 3g45 n HIS 491 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g45 s ASP 493 N -0.33 6.26 0.00 0.00 2.15 -1.09 -4.59 116.67 119.06 3g45 s ASP 493 Ca 0.00 -1.65 0.14 0.00 0.43 0.00 0.00 52.55 51.47 3g45 s ASP 493 Cb 0.00 -2.57 0.64 0.00 -0.30 0.00 0.00 42.92 40.69 3g45 s ASP 493 CO 0.00 -1.74 1.43 2.30 -0.17 0.00 0.00 175.17 176.99 3g45 n ILE 494 N 6.98 0.90 -0.25 4.11 -5.35 -1.26 -2.42 119.36 122.06 3g45 n ILE 494 Ca 0.40 0.22 0.06 0.00 -0.27 0.00 0.00 62.75 63.16 3g45 n ILE 494 Cb 0.48 -0.98 0.16 0.00 -1.74 0.00 0.00 39.64 37.56 3g45 n ILE 494 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3g45 n PHE 495 N -1.43 0.50 -0.29 4.28 3.72 -1.26 -4.69 117.46 118.29 3g45 n PHE 495 Ca 0.04 -0.54 0.11 0.00 -0.05 0.00 0.00 57.45 57.01 3g45 n PHE 495 Cb 0.15 -0.06 0.26 0.00 -0.94 0.00 0.00 39.48 38.89 3g45 n PHE 495 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 3g45 h MET 496 N 1.96 0.28 -0.12 -1.08 1.85 -1.86 -2.39 114.93 113.57 3g45 h MET 496 Ca 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 3g45 h MET 496 Cb 0.80 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.76 3g45 h MET 496 CO 0.02 0.19 0.00 0.09 -0.40 0.00 0.00 176.91 176.81 3g45 n ASN 497 N -5.15 1.58 -4.84 1.39 3.02 -1.26 -4.88 115.26 105.12 3g45 n ASN 497 Ca 0.19 -1.64 -0.31 0.00 -0.03 0.00 0.00 54.58 52.79 3g45 n ASN 497 Cb 0.60 -0.08 0.03 0.00 -0.61 0.00 0.00 39.78 39.73 3g45 n ASN 497 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g45 s LEU 498 N -1.68 3.21 0.80 3.41 1.43 -0.90 -4.94 118.68 120.00 3g45 s LEU 498 Ca 0.34 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.88 3g45 s LEU 498 Cb 0.18 -4.49 0.07 0.00 0.03 0.00 0.00 46.19 41.98 3g45 s LEU 498 CO 0.28 -1.18 1.11 0.42 0.23 0.00 0.00 176.35 177.21 3g45 s THR 499 N -3.03 2.90 0.29 5.49 -4.23 -1.26 -4.84 115.64 110.95 3g45 s THR 499 Ca 0.57 0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 61.35 3g45 s THR 499 Cb -0.13 -3.11 0.27 0.00 1.34 0.00 0.00 72.50 70.87 3g45 s THR 499 CO 0.52 -0.38 1.94 0.11 -0.54 0.00 0.00 174.62 176.27 3g45 h LYS 500 N -1.06 1.12 -0.03 3.99 1.57 -1.98 -1.07 116.57 119.12 3g45 h LYS 500 Ca -0.47 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.10 3g45 h LYS 500 Cb 1.28 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3g45 h LYS 500 CO 0.61 0.74 -0.63 -0.22 -0.57 0.00 0.00 179.45 179.38 3g45 h LYS 501 N 1.15 0.11 -0.20 3.15 1.63 -1.99 -1.65 116.57 118.77 3g45 h LYS 501 Ca 0.35 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 60.04 3g45 h LYS 501 Cb -0.02 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 3g45 h LYS 501 CO -0.10 0.70 -0.01 1.96 -3.45 0.00 0.00 179.45 178.55 3g45 h GLN 502 N 0.08 0.35 -0.86 1.90 4.20 -1.75 -1.88 115.11 117.16 3g45 h GLN 502 Ca -0.01 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.59 3g45 h GLN 502 Cb 1.13 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.84 3g45 h GLN 502 CO 0.09 0.57 0.57 0.00 -0.67 0.00 0.00 178.83 179.39 3g45 h ARG 503 N 0.10 1.13 -0.52 1.46 3.08 -0.98 -0.06 114.38 118.59 3g45 h ARG 503 Ca 0.05 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3g45 h ARG 503 Cb 0.42 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3g45 h ARG 503 CO 0.01 0.75 0.07 1.96 -1.07 0.00 0.00 179.97 181.69 3g45 h GLN 504 N 1.16 0.86 -0.58 0.04 4.20 -1.28 -1.28 115.11 118.24 3g45 h GLN 504 Ca 0.31 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 3g45 h GLN 504 Cb -0.13 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3g45 h GLN 504 CO -0.07 0.85 -0.06 1.15 -0.67 0.00 0.00 178.83 180.03 3g45 h THR 505 N 0.74 1.27 -0.23 -0.54 2.02 -0.94 -2.42 112.91 112.81 3g45 h THR 505 Ca 0.16 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 3g45 h THR 505 Cb 0.42 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3g45 h THR 505 CO 0.01 0.44 0.13 0.25 0.37 0.00 0.00 175.52 176.73 3g45 h LEU 506 N 0.95 0.28 -0.54 2.58 5.85 -0.85 -1.66 115.31 121.93 3g45 h LEU 506 Ca 0.16 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3g45 h LEU 506 Cb 0.63 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3g45 h LEU 506 CO 0.04 0.27 0.25 -0.09 -0.34 0.00 0.00 178.44 178.56 3g45 h ARG 507 N 0.28 0.78 -0.21 1.25 2.43 -1.17 0.10 114.38 117.84 3g45 h ARG 507 Ca 0.08 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3g45 h ARG 507 Cb 0.04 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3g45 h ARG 507 CO -0.01 0.66 0.01 -0.22 -1.51 0.00 0.00 179.97 178.89 3g45 h LYS 508 N 0.72 0.37 -0.50 0.20 3.11 -1.37 -0.42 116.57 118.68 3g45 h LYS 508 Ca 0.18 -0.11 0.05 0.00 -2.81 0.00 0.00 60.65 57.97 3g45 h LYS 508 Cb 0.14 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.29 3g45 h LYS 508 CO -0.02 0.54 0.22 0.52 -2.81 0.00 0.00 179.45 177.91 3g45 h MET 509 N 0.14 0.42 -0.18 1.90 2.86 -1.03 -1.24 114.93 117.80 3g45 h MET 509 Ca 0.06 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3g45 h MET 509 Cb 0.37 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3g45 h MET 509 CO 0.01 0.28 0.01 0.28 1.06 0.00 0.00 176.91 178.55 3g45 h VAL 510 N 0.44 1.24 -0.52 -2.22 2.07 -0.65 -1.63 116.25 114.98 3g45 h VAL 510 Ca 0.23 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 67.04 3g45 h VAL 510 Cb 0.19 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 3g45 h VAL 510 CO -0.19 0.24 0.11 0.40 0.02 0.00 0.00 177.57 178.15 3g45 h ILE 511 N 0.08 0.71 -0.88 4.57 2.04 -0.96 0.15 117.51 123.22 3g45 h ILE 511 Ca 0.05 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3g45 h ILE 511 Cb 0.35 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3g45 h ILE 511 CO 0.01 0.05 0.52 0.44 0.00 0.00 0.00 178.15 179.17 3g45 h ASP 512 N 0.25 1.07 -0.14 1.72 3.45 -1.05 -0.95 116.42 120.77 3g45 h ASP 512 Ca 0.26 -0.07 -0.09 0.00 0.43 0.00 0.00 57.03 57.56 3g45 h ASP 512 Cb 0.36 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3g45 h ASP 512 CO -0.33 0.83 -0.27 0.24 -1.57 0.00 0.00 179.24 178.13 3g45 h MET 513 N 1.22 0.42 -0.19 3.56 2.86 -0.56 -2.50 114.93 119.74 3g45 h MET 513 Ca 0.32 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 3g45 h MET 513 Cb -0.04 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3g45 h MET 513 CO -0.06 0.87 -0.24 0.28 1.06 0.00 0.00 176.91 178.82 3g45 h VAL 514 N 0.02 1.34 -0.41 -2.22 2.07 -0.91 -2.29 116.25 113.86 3g45 h VAL 514 Ca 0.00 -1.44 0.11 0.00 0.82 0.00 0.00 66.70 66.19 3g45 h VAL 514 Cb 0.86 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 3g45 h VAL 514 CO 0.06 0.44 0.29 -0.07 0.02 0.00 0.00 177.57 178.31 3g45 h LEU 515 N 0.15 0.04 -0.25 2.57 3.38 -1.25 0.13 115.31 120.09 3g45 h LEU 515 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3g45 h LEU 515 Cb 0.81 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3g45 h LEU 515 CO 0.06 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3g45 n ALA 516 N -2.60 1.74 1.54 1.53 0.00 -0.88 -2.51 120.51 119.33 3g45 n ALA 516 Ca 0.07 -0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.65 3g45 n ALA 516 Cb 0.45 -1.32 0.72 0.00 0.00 0.00 0.00 19.45 19.30 3g45 n ALA 516 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g45 n THR 517 N -1.80 0.00 -1.74 0.00 -2.24 0.47 -4.78 114.28 104.18 3g45 n THR 517 Ca 0.03 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3g45 n THR 517 Cb 0.22 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 3g45 n THR 517 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g45 s ASP 518 N -2.38 6.12 0.39 3.42 -1.08 -1.04 -4.86 116.67 117.23 3g45 s ASP 518 Ca 0.33 2.22 0.06 0.00 -0.52 0.00 0.00 52.55 54.64 3g45 s ASP 518 Cb 0.21 -2.52 0.80 0.00 -1.46 0.00 0.00 42.92 39.94 3g45 s ASP 518 CO 0.44 -1.38 2.02 0.24 0.52 0.00 0.00 175.17 177.01 3g45 h MET 519 N 12.04 0.63 0.00 4.34 2.86 -1.86 -0.87 114.93 132.07 3g45 h MET 519 Ca -0.44 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3g45 h MET 519 Cb 1.22 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3g45 h MET 519 CO 0.96 0.42 0.00 0.66 1.06 0.00 0.00 176.91 180.01 3g45 h SER 520 N 0.65 0.00 0.00 1.22 4.64 -1.52 0.26 113.55 118.81 3g45 h SER 520 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3g45 h SER 520 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3g45 h SER 520 CO -0.06 0.00 -0.00 0.29 -0.87 0.00 0.00 176.83 176.19 3g45 n LYS 521 N -2.60 1.20 0.09 4.77 4.76 -0.33 -2.06 118.16 123.99 3g45 n LYS 521 Ca -0.02 -0.31 -0.12 0.00 -2.87 0.00 0.00 58.31 55.00 3g45 n LYS 521 Cb 0.08 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.72 3g45 n LYS 521 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3g45 h HIS 522 N 0.75 -0.68 -0.42 2.13 -0.00 -0.95 -1.62 115.15 114.36 3g45 h HIS 522 Ca 0.00 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.43 3g45 h HIS 522 Cb 0.16 0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 27.83 3g45 h HIS 522 CO 0.00 -0.35 0.19 0.52 -0.00 0.00 0.00 177.93 178.29 3g45 h MET 523 N -0.43 0.37 -0.66 5.26 2.86 -1.73 -1.45 114.93 119.15 3g45 h MET 523 Ca 0.05 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3g45 h MET 523 Cb 0.48 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3g45 h MET 523 CO -0.18 0.25 0.27 0.66 1.06 0.00 0.00 176.91 178.96 3g45 h SER 524 N 0.38 0.87 -0.67 1.22 4.64 -1.81 0.15 113.55 118.33 3g45 h SER 524 Ca 0.18 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3g45 h SER 524 Cb 0.12 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3g45 h SER 524 CO -0.15 0.77 0.35 -0.07 -0.87 0.00 0.00 176.83 176.86 3g45 h LEU 525 N 0.94 0.85 -0.51 5.97 3.38 -0.85 -2.12 115.31 122.96 3g45 h LEU 525 Ca 0.22 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 3g45 h LEU 525 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3g45 h LEU 525 CO -0.02 0.72 -0.40 0.25 0.09 0.00 0.00 178.44 179.08 3g45 h LEU 526 N 0.92 0.82 0.12 1.67 5.85 -0.95 -1.09 115.31 122.66 3g45 h LEU 526 Ca 0.23 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3g45 h LEU 526 Cb 0.07 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3g45 h LEU 526 CO -0.03 1.12 -0.23 0.00 -0.34 0.00 0.00 178.44 178.96 3g45 h ALA 527 N 0.92 -0.39 -0.58 1.25 0.00 -0.87 -0.95 119.26 118.64 3g45 h ALA 527 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3g45 h ALA 527 Cb 0.95 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3g45 h ALA 527 CO 0.09 -0.76 0.27 -0.44 0.00 0.00 0.00 179.25 178.40 3g45 h ASP 528 N -0.43 0.74 -0.60 0.00 5.19 -1.30 -1.99 116.42 118.03 3g45 h ASP 528 Ca 0.03 -0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.27 3g45 h ASP 528 Cb 0.45 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 3g45 h ASP 528 CO -0.12 0.64 0.04 0.25 -3.12 0.00 0.00 179.24 176.93 3g45 h LEU 529 N 0.82 1.02 -0.31 1.55 5.85 -0.94 -1.92 115.31 121.38 3g45 h LEU 529 Ca 0.20 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3g45 h LEU 529 Cb 0.10 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3g45 h LEU 529 CO -0.02 1.04 0.06 0.11 -0.34 0.00 0.00 178.44 179.29 3g45 h LYS 530 N 0.97 0.50 -0.44 1.25 1.57 -0.63 -0.28 116.57 119.50 3g45 h LYS 530 Ca 0.18 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3g45 h LYS 530 Cb 0.50 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3g45 h LYS 530 CO 0.02 0.58 0.17 1.79 -0.57 0.00 0.00 179.45 181.44 3g45 h THR 531 N 0.33 1.17 -0.51 -0.16 1.35 -1.36 -2.25 112.91 111.48 3g45 h THR 531 Ca 0.09 -0.55 -0.09 0.00 -0.55 0.00 0.00 66.41 65.32 3g45 h THR 531 Cb 0.31 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 3g45 h THR 531 CO 0.00 0.21 -0.04 -0.03 -0.25 0.00 0.00 175.52 175.41 3g45 h MET 532 N 0.63 0.89 -0.24 4.72 1.85 -0.92 -2.76 114.93 119.09 3g45 h MET 532 Ca 0.15 -0.28 0.01 0.00 -0.61 0.00 0.00 59.70 58.98 3g45 h MET 532 Cb 0.14 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 3g45 h MET 532 CO -0.01 0.91 0.14 0.28 -0.40 0.00 0.00 176.91 177.82 3g45 h VAL 533 N 0.82 1.02 0.00 -5.77 2.07 -0.50 -2.28 116.25 111.61 3g45 h VAL 533 Ca 0.15 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3g45 h VAL 533 Cb 0.55 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3g45 h VAL 533 CO 0.03 0.05 0.00 -0.62 0.02 0.00 0.00 177.57 177.05 3g45 n GLU 534 N -4.96 0.04 -1.73 1.57 1.02 -0.92 -2.85 120.64 112.81 3g45 n GLU 534 Ca -0.02 0.21 -0.02 0.00 -0.02 0.00 0.00 57.16 57.31 3g45 n GLU 534 Cb 0.05 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.04 3g45 n GLU 534 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3g45 n THR 535 N -1.47 1.36 -3.03 2.62 -2.24 -1.06 -5.09 114.28 105.37 3g45 n THR 535 Ca 0.04 -2.67 -0.33 0.00 -2.27 0.00 0.00 64.05 58.82 3g45 n THR 535 Cb 0.18 0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 3g45 n THR 535 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3g45 s LYS 536 N -2.47 4.10 -0.16 -0.78 -2.85 -0.88 -4.98 119.74 111.72 3g45 s LYS 536 Ca 0.37 0.84 0.00 0.00 -1.00 0.00 0.00 55.97 56.18 3g45 s LYS 536 Cb 0.37 -2.37 0.00 0.00 -2.06 0.00 0.00 37.83 33.77 3g45 s LYS 536 CO -0.07 0.11 -0.16 0.15 0.10 0.00 0.00 175.35 175.48 3g45 s LYS 537 N -2.99 3.16 0.01 1.78 -0.14 -1.26 -5.06 119.74 115.23 3g45 s LYS 537 Ca 0.56 -0.77 -0.12 0.00 -1.36 0.00 0.00 55.97 54.28 3g45 s LYS 537 Cb -0.10 -2.62 -0.06 0.00 -1.68 0.00 0.00 37.83 33.37 3g45 s LYS 537 CO 0.16 -0.05 0.38 0.08 -0.76 0.00 0.00 175.35 175.16 3g45 s VAL 538 N 0.97 5.10 0.00 3.17 1.01 -1.26 -0.12 120.40 129.27 3g45 s VAL 538 Ca -0.03 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3g45 s VAL 538 Cb -0.15 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3g45 s VAL 538 CO -0.03 0.49 0.00 1.07 0.00 0.00 0.00 175.10 176.63 3g45 n THR 539 N 1.54 0.00 -4.52 3.92 5.66 0.13 -4.82 114.28 116.19 3g45 n THR 539 Ca -0.13 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.53 3g45 n THR 539 Cb 0.53 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.20 3g45 n THR 539 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3g45 s SER 540 N -1.00 4.86 -0.84 1.09 0.15 -1.26 -4.61 113.70 112.09 3g45 s SER 540 Ca 0.00 0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 3g45 s SER 540 Cb 0.00 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 3g45 s SER 540 CO 0.00 0.36 0.14 -0.24 1.20 0.00 0.00 173.24 174.70 3g45 n SER 541 N 2.13 -3.63 0.00 5.45 2.88 -1.26 -3.52 113.62 115.68 3g45 n SER 541 Ca -0.18 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 3g45 n SER 541 Cb 0.53 -2.72 0.00 0.00 -0.75 0.00 0.00 64.21 61.27 3g45 n SER 541 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g45 n GLY 542 N -1.07 0.88 3.81 0.46 0.00 -1.26 -5.00 105.19 103.02 3g45 n GLY 542 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 3g45 n GLY 542 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g45 s VAL 543 N -3.39 4.48 0.32 1.61 1.01 -1.23 -4.52 120.40 118.69 3g45 s VAL 543 Ca 0.00 1.40 -0.27 0.00 0.00 0.00 0.00 61.98 63.11 3g45 s VAL 543 Cb 0.00 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 3g45 s VAL 543 CO 0.00 0.15 1.00 -0.76 0.00 0.00 0.00 175.10 175.49 3g45 s LEU 544 N -2.10 4.37 -0.40 3.92 1.43 -0.47 0.18 118.68 125.61 3g45 s LEU 544 Ca 0.46 1.98 -0.16 0.00 -1.03 0.00 0.00 54.13 55.38 3g45 s LEU 544 Cb -0.16 -3.93 0.01 0.00 0.03 0.00 0.00 46.19 42.14 3g45 s LEU 544 CO 0.21 -0.16 0.40 -0.22 0.23 0.00 0.00 176.35 176.81 3g45 s LEU 545 N -1.97 4.81 -0.49 1.79 2.96 0.83 -4.74 118.68 121.87 3g45 s LEU 545 Ca 0.50 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 3g45 s LEU 545 Cb -0.23 -2.34 0.14 0.00 0.50 0.00 0.00 46.19 44.26 3g45 s LEU 545 CO 0.29 -0.51 0.27 -0.76 -1.32 0.00 0.00 176.35 174.32 3g45 s LEU 546 N 2.04 3.45 -0.00 -0.68 1.43 -1.26 -4.60 118.68 119.06 3g45 s LEU 546 Ca 0.11 -2.90 -0.03 0.00 -1.03 0.00 0.00 54.13 50.28 3g45 s LEU 546 Cb -0.17 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3g45 s LEU 546 CO 0.13 -0.23 0.51 0.44 0.23 0.00 0.00 176.35 177.43 3g45 h ASP 547 N 6.49 -0.10 -4.43 2.29 3.32 -1.96 -3.45 116.42 118.58 3g45 h ASP 547 Ca -0.01 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.54 3g45 h ASP 547 Cb 0.90 0.03 0.08 0.00 0.22 0.00 0.00 39.33 40.55 3g45 h ASP 547 CO 0.58 -0.02 0.40 0.54 -1.72 0.00 0.00 179.24 179.02 3g45 s ASN 548 N -2.95 5.44 0.16 6.45 4.22 -1.26 -4.96 114.94 122.04 3g45 s ASN 548 Ca -0.02 1.21 -0.15 0.00 -2.14 0.00 0.00 52.86 51.76 3g45 s ASN 548 Cb 0.00 -2.04 0.05 0.00 1.28 0.00 0.00 41.25 40.54 3g45 s ASN 548 CO 0.05 -1.35 1.82 0.22 -2.04 0.00 0.00 177.10 175.79 3g45 h TYR 549 N -0.66 0.54 -0.77 1.54 3.20 -2.00 -2.92 116.97 115.91 3g45 h TYR 549 Ca -0.45 0.01 0.16 0.00 3.14 0.00 0.00 58.73 61.60 3g45 h TYR 549 Cb 1.24 -0.18 -0.11 0.00 1.54 0.00 0.00 36.73 39.23 3g45 h TYR 549 CO 0.52 0.33 0.25 1.15 -1.64 0.00 0.00 178.16 178.78 3g45 h THR 550 N 0.59 0.56 -0.50 1.81 2.02 -1.99 0.38 112.91 115.77 3g45 h THR 550 Ca 0.17 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 3g45 h THR 550 Cb -0.03 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3g45 h THR 550 CO -0.06 0.06 -0.16 0.44 0.37 0.00 0.00 175.52 176.18 3g45 h ASP 551 N 0.35 1.01 -0.30 4.18 3.32 -1.91 -2.24 116.42 120.82 3g45 h ASP 551 Ca 0.44 -0.37 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 3g45 h ASP 551 Cb 0.73 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3g45 h ASP 551 CO -0.48 1.15 -0.13 0.03 -1.72 0.00 0.00 179.24 178.09 3g45 h ARG 552 N 0.86 0.62 0.00 3.56 3.08 -1.14 -2.83 114.38 118.53 3g45 h ARG 552 Ca 0.12 -0.27 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 3g45 h ARG 552 Cb 0.73 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3g45 h ARG 552 CO 0.06 0.84 -0.67 0.97 -1.07 0.00 0.00 179.97 180.10 3g45 h ILE 553 N 0.38 1.42 -0.65 2.04 6.09 -0.97 -2.15 117.51 123.68 3g45 h ILE 553 Ca 0.07 -2.34 -0.03 0.00 -1.37 0.00 0.00 64.86 61.19 3g45 h ILE 553 Cb 0.65 2.29 -0.03 0.00 0.47 0.00 0.00 36.82 40.20 3g45 h ILE 553 CO 0.04 0.66 0.29 -0.61 -3.07 0.00 0.00 178.15 175.46 3g45 h GLN 554 N 0.00 0.94 -0.05 2.19 4.15 -1.36 0.51 115.11 121.50 3g45 h GLN 554 Ca -0.01 -0.15 -0.04 0.00 0.77 0.00 0.00 58.65 59.22 3g45 h GLN 554 Cb 1.23 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.76 3g45 h GLN 554 CO 0.09 0.77 -0.12 0.28 -1.93 0.00 0.00 178.83 177.91 3g45 h VAL 555 N 0.90 1.43 -0.79 2.39 2.07 -1.37 -2.19 116.25 118.69 3g45 h VAL 555 Ca 0.22 -1.48 0.05 0.00 0.82 0.00 0.00 66.70 66.31 3g45 h VAL 555 Cb 0.15 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 3g45 h VAL 555 CO -0.02 0.41 0.49 -0.07 0.02 0.00 0.00 177.57 178.39 3g45 h LEU 556 N -0.35 0.77 -0.72 2.57 3.38 -1.30 0.18 115.31 119.85 3g45 h LEU 556 Ca -0.00 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3g45 h LEU 556 Cb 0.72 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3g45 h LEU 556 CO 0.03 0.51 -0.49 0.08 0.09 0.00 0.00 178.44 178.66 3g45 h ARG 557 N 0.91 0.00 -0.03 1.13 0.11 -0.92 -1.65 114.38 113.92 3g45 h ARG 557 Ca 0.34 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.26 3g45 h ARG 557 Cb 0.12 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 3g45 h ARG 557 CO -0.15 0.49 -0.69 -0.91 0.10 0.00 0.00 179.97 178.80 3g45 h ASN 558 N 0.00 0.21 -0.10 0.08 2.35 -0.84 -2.30 115.58 114.98 3g45 h ASN 558 Ca -0.00 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3g45 h ASN 558 Cb 1.06 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.37 3g45 h ASN 558 CO 0.06 0.83 0.05 -0.03 -1.65 0.00 0.00 177.43 176.69 3g45 h MET 559 N 0.12 0.14 -0.10 0.81 4.05 0.05 0.22 114.93 120.21 3g45 h MET 559 Ca -0.02 -0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.22 3g45 h MET 559 Cb 1.23 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 3g45 h MET 559 CO 0.10 0.19 -0.64 0.28 0.23 0.00 0.00 176.91 177.07 3g45 h VAL 560 N 0.05 1.37 -0.98 -5.77 2.07 -1.41 -0.32 116.25 111.27 3g45 h VAL 560 Ca 0.03 -2.00 0.03 0.00 0.82 0.00 0.00 66.70 65.58 3g45 h VAL 560 Cb 0.09 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 3g45 h VAL 560 CO -0.00 0.60 0.64 -0.74 0.02 0.00 0.00 177.57 178.09 3g45 h HIS 561 N 0.26 1.21 -0.31 1.57 6.17 -1.24 0.01 115.15 122.82 3g45 h HIS 561 Ca -0.01 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 61.02 3g45 h HIS 561 Cb 1.17 -0.40 -0.01 0.00 2.52 0.00 0.00 27.41 30.69 3g45 h HIS 561 CO 0.03 0.71 -0.11 0.00 0.71 0.00 0.00 177.93 179.27 3g45 h ALA 563 N 0.78 0.21 -0.33 0.00 0.00 -0.83 -1.13 119.26 117.96 3g45 h ALA 563 Ca 0.08 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3g45 h ALA 563 Cb 0.62 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3g45 h ALA 563 CO 0.04 -0.48 0.23 0.22 0.00 0.00 0.00 179.25 179.26 3g45 h ASP 564 N -0.03 0.23 -0.83 0.00 1.82 -0.75 -0.18 116.42 116.69 3g45 h ASP 564 Ca 0.18 -0.00 -0.47 0.00 -0.39 0.00 0.00 57.03 56.35 3g45 h ASP 564 Cb 0.29 -0.05 -0.26 0.00 0.68 0.00 0.00 39.33 39.99 3g45 h ASP 564 CO -0.39 0.16 0.44 0.18 -1.61 0.00 0.00 179.24 178.02 3g45 n LEU 565 N -4.48 6.18 -0.21 2.28 4.77 -0.81 -4.66 117.00 120.07 3g45 n LEU 565 Ca 0.03 -3.84 0.13 0.00 -0.03 0.00 0.00 56.01 52.31 3g45 n LEU 565 Cb 0.21 -0.79 0.43 0.00 -2.33 0.00 0.00 43.42 40.94 3g45 n LEU 565 CO 0.35 1.24 0.70 -1.54 -1.33 0.00 0.00 177.39 176.80 3g45 n SER 566 N -1.08 0.88 -0.20 -1.43 3.41 -0.08 -4.50 113.62 110.63 3g45 n SER 566 Ca 0.53 -0.80 -0.00 0.00 -0.26 0.00 0.00 58.87 58.34 3g45 n SER 566 Cb 1.30 0.09 0.10 0.00 -0.26 0.00 0.00 64.21 65.44 3g45 n SER 566 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3g45 h ASN 567 N 1.03 0.14 0.43 4.04 2.35 -1.83 -1.34 115.58 120.40 3g45 h ASN 567 Ca 0.00 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3g45 h ASN 567 Cb 0.47 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3g45 h ASN 567 CO 0.00 0.09 0.00 -2.65 -1.65 0.00 0.00 177.43 173.22 3g45 n PRO 568 N -5.04 0.41 0.00 0.81 -0.02 -1.26 -2.71 135.00 127.18 3g45 n PRO 568 Ca 0.08 0.04 0.11 0.00 -2.02 0.00 0.00 63.50 61.72 3g45 n PRO 568 Cb 0.28 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.35 3g45 n PRO 568 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g45 n THR 569 N -1.26 0.00 -2.06 3.45 -2.24 -0.52 -4.28 114.28 107.37 3g45 n THR 569 Ca 0.13 -0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 3g45 n THR 569 Cb 0.19 0.62 0.10 0.00 -2.10 0.00 0.00 70.33 69.14 3g45 n THR 569 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g45 s LYS 570 N -2.96 1.74 0.75 -0.78 -0.14 -1.10 -4.56 119.74 112.69 3g45 s LYS 570 Ca 0.11 -0.22 -0.15 0.00 -1.36 0.00 0.00 55.97 54.35 3g45 s LYS 570 Cb 0.17 -2.03 0.04 0.00 -1.68 0.00 0.00 37.83 34.33 3g45 s LYS 570 CO 0.76 -1.64 1.13 -1.13 -0.76 0.00 0.00 175.35 173.71 3g45 n SER 571 N -3.24 1.01 -0.16 2.83 3.41 -1.26 -4.59 113.62 111.61 3g45 n SER 571 Ca 0.10 0.66 -0.01 0.00 -0.26 0.00 0.00 58.87 59.36 3g45 n SER 571 Cb 0.60 -1.48 0.22 0.00 -0.26 0.00 0.00 64.21 63.30 3g45 n SER 571 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3g45 h LEU 572 N -0.40 0.81 -0.28 1.04 5.85 -1.95 -0.18 115.31 120.19 3g45 h LEU 572 Ca -0.48 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.21 3g45 h LEU 572 Cb 1.32 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3g45 h LEU 572 CO 0.47 0.69 -0.02 -0.08 -0.34 0.00 0.00 178.44 179.16 3g45 h GLU 573 N 0.89 0.05 0.19 1.25 4.81 -2.00 -0.29 114.58 119.49 3g45 h GLU 573 Ca 0.22 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3g45 h GLU 573 Cb 0.10 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3g45 h GLU 573 CO -0.03 0.04 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.12 3g45 h LEU 574 N 0.06 -0.22 -1.17 1.64 3.38 -1.59 -3.08 115.31 114.33 3g45 h LEU 574 Ca 0.13 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.05 3g45 h LEU 574 Cb 0.18 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 3g45 h LEU 574 CO -0.24 0.02 0.59 0.22 0.09 0.00 0.00 178.44 179.11 3g45 h TYR 575 N -0.46 1.00 -0.27 1.13 3.20 -0.97 -2.25 116.97 118.36 3g45 h TYR 575 Ca -0.03 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 3g45 h TYR 575 Cb 0.35 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3g45 h TYR 575 CO -0.01 0.47 -0.44 0.00 -1.64 0.00 0.00 178.16 176.54 3g45 h ARG 576 N 0.93 0.68 -0.84 1.82 3.08 -1.01 -1.28 114.38 117.75 3g45 h ARG 576 Ca 0.42 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3g45 h ARG 576 Cb 0.37 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 3g45 h ARG 576 CO -0.18 0.98 0.44 1.96 -1.07 0.00 0.00 179.97 182.10 3g45 h GLN 577 N 0.54 1.19 -0.42 0.04 4.20 -1.36 -2.33 115.11 116.97 3g45 h GLN 577 Ca 0.04 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 3g45 h GLN 577 Cb 0.99 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 3g45 h GLN 577 CO 0.09 0.90 -0.10 -1.49 -0.67 0.00 0.00 178.83 177.56 3g45 h TRP 578 N 1.19 0.91 -0.57 2.96 -0.00 -0.99 -2.15 115.95 117.31 3g45 h TRP 578 Ca 0.29 -0.19 0.00 0.00 -0.00 0.00 0.00 58.89 58.99 3g45 h TRP 578 Cb 0.07 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 28.98 3g45 h TRP 578 CO 0.01 0.93 0.37 1.15 -0.00 0.00 0.00 178.44 180.90 3g45 h THR 579 N 0.64 1.15 -0.03 1.49 2.02 -1.21 -1.01 112.91 115.96 3g45 h THR 579 Ca 0.11 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.89 3g45 h THR 579 Cb 0.63 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3g45 h THR 579 CO 0.04 0.15 -0.51 0.44 0.37 0.00 0.00 175.52 176.01 3g45 h ASP 580 N 0.77 0.10 0.01 4.18 3.32 -1.30 -1.44 116.42 122.06 3g45 h ASP 580 Ca 0.21 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3g45 h ASP 580 Cb -0.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3g45 h ASP 580 CO -0.04 0.59 -0.00 0.03 -1.72 0.00 0.00 179.24 178.09 3g45 h ARG 581 N 0.07 -0.01 -0.67 3.56 3.08 -1.11 -1.78 114.38 117.52 3g45 h ARG 581 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3g45 h ARG 581 Cb 0.93 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 3g45 h ARG 581 CO 0.07 0.38 0.23 0.97 -1.07 0.00 0.00 179.97 180.55 3g45 h ILE 582 N -0.41 1.24 -0.35 2.04 6.09 -0.92 -1.22 117.51 123.99 3g45 h ILE 582 Ca -0.00 -0.81 -0.05 0.00 -1.37 0.00 0.00 64.86 62.63 3g45 h ILE 582 Cb 0.40 0.48 -0.01 0.00 0.47 0.00 0.00 36.82 38.16 3g45 h ILE 582 CO 0.00 0.32 0.02 0.24 -3.07 0.00 0.00 178.15 175.66 3g45 h MET 583 N 0.98 0.60 -0.52 2.19 2.86 -1.33 0.19 114.93 119.91 3g45 h MET 583 Ca 0.22 -0.18 0.10 0.00 -2.06 0.00 0.00 59.70 57.78 3g45 h MET 583 Cb 0.25 -0.06 -0.10 0.00 0.06 0.00 0.00 31.60 31.74 3g45 h MET 583 CO -0.01 0.70 -0.24 1.49 1.06 0.00 0.00 176.91 179.91 3g45 h GLU 584 N 0.41 -0.12 -0.60 1.72 4.81 -1.05 0.17 114.58 119.94 3g45 h GLU 584 Ca 0.10 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3g45 h GLU 584 Cb 0.42 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3g45 h GLU 584 CO 0.01 -0.08 0.23 1.49 -0.73 0.00 0.00 179.01 179.94 3g45 h GLU 585 N -0.12 0.90 -0.64 1.92 4.81 -0.79 -1.98 114.58 118.67 3g45 h GLU 585 Ca 0.24 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3g45 h GLU 585 Cb 0.49 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3g45 h GLU 585 CO -0.59 0.77 0.36 0.74 -0.73 0.00 0.00 179.01 179.56 3g45 h PHE 586 N 0.83 0.87 -0.44 0.92 0.05 -0.33 -2.48 116.94 116.37 3g45 h PHE 586 Ca 0.20 -0.01 -0.07 0.00 3.82 0.00 0.00 57.97 61.90 3g45 h PHE 586 Cb 0.21 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 37.86 3g45 h PHE 586 CO 0.01 0.61 -0.02 0.74 -0.18 0.00 0.00 178.31 179.47 3g45 h PHE 587 N 0.87 0.77 -0.21 -0.55 0.04 -0.30 -1.04 116.94 116.52 3g45 h PHE 587 Ca 0.23 -0.11 -0.14 0.00 2.80 0.00 0.00 57.97 60.75 3g45 h PHE 587 Cb 0.02 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 3g45 h PHE 587 CO -0.01 0.73 -0.46 1.96 -0.60 0.00 0.00 178.31 179.94 3g45 h GLN 588 N 0.68 0.54 -0.45 1.51 4.20 -1.33 -1.11 115.11 119.15 3g45 h GLN 588 Ca 0.13 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3g45 h GLN 588 Cb 0.45 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 3g45 h GLN 588 CO 0.02 0.89 0.29 0.37 -0.67 0.00 0.00 178.83 179.73 3g45 h GLN 589 N 0.44 0.61 -0.93 1.46 4.15 -0.95 -1.82 115.11 118.06 3g45 h GLN 589 Ca 0.03 -0.04 0.14 0.00 0.77 0.00 0.00 58.65 59.55 3g45 h GLN 589 Cb 0.97 -0.13 -0.09 0.00 0.21 0.00 0.00 27.48 28.43 3g45 h GLN 589 CO 0.09 0.42 0.54 0.78 -1.93 0.00 0.00 178.83 178.73 3g45 h GLY 590 N 0.61 1.55 0.99 2.39 0.00 -0.80 0.52 103.07 108.33 3g45 h GLY 590 Ca 0.16 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 3g45 h GLY 590 CO -0.03 0.04 -0.21 -0.55 0.00 0.00 0.00 176.54 175.78 3g45 h ASP 591 N 0.79 0.79 -0.92 0.19 3.32 -0.86 -1.36 116.42 118.39 3g45 h ASP 591 Ca 0.49 -0.42 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3g45 h ASP 591 Cb 0.63 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 3g45 h ASP 591 CO -0.32 1.05 0.60 0.11 -1.72 0.00 0.00 179.24 178.95 3g45 h LYS 592 N 0.55 1.16 -0.38 3.56 1.57 -0.67 0.23 116.57 122.58 3g45 h LYS 592 Ca 0.07 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3g45 h LYS 592 Cb 0.77 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 3g45 h LYS 592 CO 0.06 0.77 0.20 0.93 -0.57 0.00 0.00 179.45 180.84 3g45 h GLU 593 N 1.19 0.40 -0.06 3.15 5.08 -0.74 -2.45 114.58 121.16 3g45 h GLU 593 Ca 0.35 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3g45 h GLU 593 Cb -0.06 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3g45 h GLU 593 CO -0.10 0.27 0.03 -0.09 -1.00 0.00 0.00 179.01 178.12 3g45 h ARG 594 N 0.42 0.08 -0.85 2.33 2.43 -0.54 -0.26 114.38 117.99 3g45 h ARG 594 Ca 0.16 -0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.53 3g45 h ARG 594 Cb 0.05 -0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 29.45 3g45 h ARG 594 CO -0.10 0.12 0.29 0.93 -1.51 0.00 0.00 179.97 179.71 3g45 h GLU 595 N 0.02 0.30 -0.00 0.20 5.08 -0.56 -1.05 114.58 118.57 3g45 h GLU 595 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g45 h GLU 595 Cb 0.06 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3g45 h GLU 595 CO -0.00 0.20 -0.00 0.54 -1.00 0.00 0.00 179.01 178.74 3g45 n ARG 596 N -5.13 1.10 -1.19 2.33 1.74 -0.88 -4.90 116.66 109.72 3g45 n ARG 596 Ca 0.20 -0.15 -0.07 0.00 -0.77 0.00 0.00 57.85 57.07 3g45 n ARG 596 Cb 0.62 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 3g45 n ARG 596 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g45 n GLY 597 N 1.03 0.82 3.91 -0.13 0.00 -0.40 -5.01 105.19 105.41 3g45 n GLY 597 Ca 0.23 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 3g45 n GLY 597 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g45 s MET 598 N -2.16 2.96 0.29 1.61 -1.94 -0.16 -5.01 119.30 114.89 3g45 s MET 598 Ca 0.00 0.07 -0.29 0.00 -1.71 0.00 0.00 55.69 53.76 3g45 s MET 598 Cb 0.00 -2.25 -0.10 0.00 2.01 0.00 0.00 34.83 34.50 3g45 s MET 598 CO 0.00 -0.70 1.21 -2.00 -0.01 0.00 0.00 175.02 173.51 3g45 s GLU 599 N -5.02 4.50 -0.03 2.03 2.12 -1.26 -4.33 118.70 116.71 3g45 s GLU 599 Ca 0.54 2.00 -0.30 0.00 0.36 0.00 0.00 54.97 57.57 3g45 s GLU 599 Cb -0.11 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 3g45 s GLU 599 CO 0.46 -0.00 1.15 0.42 -0.54 0.00 0.00 175.26 176.75 3g45 s ILE 600 N -1.01 4.33 0.80 -3.70 -1.09 -1.26 -4.91 121.20 114.37 3g45 s ILE 600 Ca 0.48 1.66 -0.10 0.00 -2.23 0.00 0.00 60.65 60.45 3g45 s ILE 600 Cb -0.36 -4.06 0.08 0.00 -1.58 0.00 0.00 42.46 36.54 3g45 s ILE 600 CO 0.46 0.05 1.10 -0.44 -1.23 0.00 0.00 174.94 174.88 3g45 s SER 601 N 1.28 4.15 0.28 3.58 0.01 -1.26 -4.94 113.70 116.80 3g45 s SER 601 Ca 0.55 1.89 -0.30 0.00 1.31 0.00 0.00 55.95 59.41 3g45 s SER 601 Cb -0.25 -2.52 -0.11 0.00 0.21 0.00 0.00 66.02 63.35 3g45 s SER 601 CO 0.24 -2.27 1.47 -2.84 0.41 0.00 0.00 173.24 170.25 3g45 s PRO 602 N -4.85 4.22 0.00 12.44 0.02 -1.26 -2.26 135.00 143.31 3g45 s PRO 602 Ca 0.62 2.39 0.00 0.00 0.02 0.00 0.00 61.00 64.04 3g45 s PRO 602 Cb -0.18 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3g45 s PRO 602 CO 0.56 -0.46 0.00 -1.33 -0.33 0.00 0.00 177.00 175.44 3g45 n MET 603 N 1.96 -0.58 0.00 5.54 2.81 -1.26 -4.88 117.12 120.71 3g45 n MET 603 Ca 0.06 0.14 0.07 0.00 -1.81 0.00 0.00 57.70 56.17 3g45 n MET 603 Cb 0.40 -3.59 -0.00 0.00 -0.71 0.00 0.00 33.22 29.31 3g45 n MET 603 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g45 s ASP 605 N -1.82 6.54 0.47 0.00 -1.08 -1.26 -3.95 116.67 115.56 3g45 s ASP 605 Ca 0.12 0.23 0.15 0.00 -0.52 0.00 0.00 52.55 52.53 3g45 s ASP 605 Cb 0.12 -2.45 1.07 0.00 -1.46 0.00 0.00 42.92 40.20 3g45 s ASP 605 CO 0.39 -0.99 2.03 0.07 0.52 0.00 0.00 175.17 177.19 3g45 h LYS 606 N 8.91 0.00 -0.00 4.34 2.10 -1.90 -2.03 116.57 127.99 3g45 h LYS 606 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3g45 h LYS 606 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 3g45 h LYS 606 CO 1.01 0.14 -0.04 0.72 -2.00 0.00 0.00 179.45 179.27 3g45 n HIS 607 N -4.37 0.00 -1.03 0.07 8.25 -1.26 -4.27 115.22 112.61 3g45 n HIS 607 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3g45 n HIS 607 Cb 0.21 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3g45 n HIS 607 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3g45 n THR 608 N -0.88 0.03 -2.28 1.59 -2.24 -0.89 -5.10 114.28 104.51 3g45 n THR 608 Ca 0.18 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.59 3g45 n THR 608 Cb 0.22 0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 3g45 n THR 608 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g45 s ALA 609 N -0.03 2.76 -0.39 6.98 0.00 -0.81 -5.00 121.76 125.26 3g45 s ALA 609 Ca 0.00 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.59 3g45 s ALA 609 Cb 0.00 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 19.95 3g45 s ALA 609 CO 0.00 -0.64 0.14 -1.54 0.00 0.00 0.00 175.76 173.72 3g45 s SER 610 N -2.18 4.31 0.25 0.00 1.04 -1.26 -5.01 113.70 110.84 3g45 s SER 610 Ca 0.68 -2.34 -0.03 0.00 0.48 0.00 0.00 55.95 54.73 3g45 s SER 610 Cb -0.19 -1.37 0.29 0.00 0.10 0.00 0.00 66.02 64.85 3g45 s SER 610 CO 0.28 -0.33 1.73 0.58 0.98 0.00 0.00 173.24 176.48 3g45 h VAL 611 N 6.07 1.25 0.19 5.02 2.07 -1.98 -1.40 116.25 127.46 3g45 h VAL 611 Ca -0.06 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 3g45 h VAL 611 Cb 0.97 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3g45 h VAL 611 CO 0.54 0.37 -0.09 -0.33 0.02 0.00 0.00 177.57 178.08 3g45 h GLU 612 N 0.76 -0.24 -0.95 1.57 3.07 -1.92 -1.98 114.58 114.90 3g45 h GLU 612 Ca 0.14 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 59.07 3g45 h GLU 612 Cb 0.49 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.40 3g45 h GLU 612 CO 0.02 0.13 0.61 0.87 -1.40 0.00 0.00 179.01 179.25 3g45 h LYS 613 N -0.70 1.12 -0.84 2.33 1.57 -1.84 -2.43 116.57 115.79 3g45 h LYS 613 Ca -0.03 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3g45 h LYS 613 Cb 0.49 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3g45 h LYS 613 CO 0.04 0.74 0.49 0.77 -0.57 0.00 0.00 179.45 180.93 3g45 h SER 614 N 1.16 1.02 -0.44 0.86 0.02 -1.23 -1.25 113.55 113.68 3g45 h SER 614 Ca 0.39 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.21 3g45 h SER 614 Cb 0.06 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3g45 h SER 614 CO -0.14 0.79 0.03 1.56 -1.14 0.00 0.00 176.83 177.93 3g45 h GLN 615 N 1.16 0.76 -0.62 3.45 1.08 -0.88 -0.86 115.11 119.20 3g45 h GLN 615 Ca 0.30 -0.23 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 3g45 h GLN 615 Cb -0.03 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.29 3g45 h GLN 615 CO -0.05 0.81 0.40 0.28 -0.95 0.00 0.00 178.83 179.32 3g45 h VAL 616 N 0.61 1.12 -0.63 -0.54 2.07 -1.14 -0.71 116.25 117.03 3g45 h VAL 616 Ca 0.13 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3g45 h VAL 616 Cb 0.45 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3g45 h VAL 616 CO 0.02 0.15 0.21 1.23 0.02 0.00 0.00 177.57 179.20 3g45 h GLY 617 N 0.80 1.05 1.07 2.17 0.00 -0.99 -0.42 103.07 106.75 3g45 h GLY 617 Ca 0.24 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3g45 h GLY 617 CO -0.07 0.57 0.21 -2.75 0.00 0.00 0.00 176.54 174.50 3g45 h PHE 618 N 0.91 1.20 -0.00 5.60 3.57 -0.67 0.27 116.94 127.82 3g45 h PHE 618 Ca 0.21 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3g45 h PHE 618 Cb 0.27 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 3g45 h PHE 618 CO 0.02 0.95 -0.00 0.82 -2.23 0.00 0.00 178.31 177.87 3g45 h ILE 619 N 1.10 1.37 -0.93 1.41 2.04 -0.93 -0.60 117.51 120.97 3g45 h ILE 619 Ca 0.23 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 65.02 3g45 h ILE 619 Cb 0.33 2.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 3g45 h ILE 619 CO -0.00 0.29 0.61 0.44 0.00 0.00 0.00 178.15 179.49 3g45 h ASP 620 N -0.45 1.05 0.00 1.72 3.32 -0.82 0.23 116.42 121.46 3g45 h ASP 620 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3g45 h ASP 620 Cb 0.47 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3g45 h ASP 620 CO 0.00 0.74 -1.49 -1.22 -1.72 0.00 0.00 179.24 175.55 3g45 n TYR 621 N -4.46 0.00 0.02 4.55 4.01 0.06 -4.43 117.16 116.92 3g45 n TYR 621 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 3g45 n TYR 621 Cb 0.04 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 3g45 n TYR 621 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3g45 n ILE 622 N -1.89 0.09 0.02 -0.72 5.41 -0.61 -4.79 119.36 116.88 3g45 n ILE 622 Ca -0.01 0.03 -0.19 0.00 1.00 0.00 0.00 62.75 63.58 3g45 n ILE 622 Cb 0.39 -0.94 -0.10 0.00 -0.71 0.00 0.00 39.64 38.27 3g45 n ILE 622 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3g45 h VAL 623 N 0.00 1.33 -0.08 1.39 2.07 -1.03 -2.85 116.25 117.08 3g45 h VAL 623 Ca 0.00 -2.16 -0.04 0.00 0.82 0.00 0.00 66.70 65.32 3g45 h VAL 623 Cb 0.37 2.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3g45 h VAL 623 CO 0.00 0.66 -0.12 -0.74 0.02 0.00 0.00 177.57 177.38 3g45 h HIS 624 N 0.24 0.27 -0.40 1.57 -0.00 -0.78 -1.02 115.15 115.03 3g45 h HIS 624 Ca -0.10 -0.09 0.04 0.00 -0.00 0.00 0.00 60.37 60.21 3g45 h HIS 624 Cb 1.54 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.86 3g45 h HIS 624 CO 0.12 0.71 0.16 -1.35 -0.00 0.00 0.00 177.93 177.57 3g45 h PRO 625 N -0.25 0.33 -0.66 5.26 0.11 -1.74 0.93 132.00 135.98 3g45 h PRO 625 Ca 0.01 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.16 3g45 h PRO 625 Cb 0.69 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.67 3g45 h PRO 625 CO 0.03 0.22 0.36 1.25 -0.21 0.00 0.00 178.00 179.65 3g45 h LEU 626 N 0.34 0.53 -0.21 2.35 5.85 -1.39 -2.11 115.31 120.67 3g45 h LEU 626 Ca 0.18 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.76 3g45 h LEU 626 Cb 0.13 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3g45 h LEU 626 CO -0.16 0.35 -0.82 -0.50 -0.34 0.00 0.00 178.44 176.96 3g45 h TRP 627 N 0.67 0.00 -0.59 1.25 4.06 -0.79 -2.29 115.95 118.26 3g45 h TRP 627 Ca 0.30 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.19 3g45 h TRP 627 Cb 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 3g45 h TRP 627 CO -0.08 0.82 0.14 1.49 -3.56 0.00 0.00 178.44 177.25 3g45 h GLU 628 N 0.00 0.94 -0.31 0.49 4.81 -0.61 0.26 114.58 120.16 3g45 h GLU 628 Ca -0.01 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 58.88 3g45 h GLU 628 Cb 1.53 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 3g45 h GLU 628 CO 0.11 0.87 -0.27 1.15 -0.73 0.00 0.00 179.01 180.14 3g45 h THR 629 N 0.85 1.27 -0.29 0.32 2.02 -1.33 -1.99 112.91 113.76 3g45 h THR 629 Ca 0.18 -1.35 -0.13 0.00 0.77 0.00 0.00 66.41 65.89 3g45 h THR 629 Cb 0.35 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3g45 h THR 629 CO 0.00 0.44 -0.32 -0.25 0.37 0.00 0.00 175.52 175.77 3g45 h TRP 630 N 0.54 0.87 -0.81 3.16 2.91 -1.15 -1.37 115.95 120.10 3g45 h TRP 630 Ca 0.07 -0.27 0.03 0.00 1.13 0.00 0.00 58.89 59.86 3g45 h TRP 630 Cb 0.74 -0.18 -0.05 0.00 -0.51 0.00 0.00 29.16 29.16 3g45 h TRP 630 CO 0.03 1.02 0.53 0.00 -1.03 0.00 0.00 178.44 179.00 3g45 h ALA 631 N 0.70 1.50 -0.04 2.65 0.00 -0.82 -1.49 119.26 121.75 3g45 h ALA 631 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3g45 h ALA 631 Cb 0.89 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3g45 h ALA 631 CO 0.08 0.43 -0.00 0.22 0.00 0.00 0.00 179.25 179.97 3g45 h ASP 632 N 1.01 0.07 -0.79 0.00 1.82 -1.08 0.10 116.42 117.56 3g45 h ASP 632 Ca 0.32 -0.34 0.15 0.00 -0.39 0.00 0.00 57.03 56.78 3g45 h ASP 632 Cb 0.02 -0.02 -0.10 0.00 0.68 0.00 0.00 39.33 39.91 3g45 h ASP 632 CO -0.09 0.39 0.33 0.25 -1.61 0.00 0.00 179.24 178.51 3g45 h LEU 633 N -0.25 0.31 -3.20 2.28 5.85 -0.77 -3.14 115.31 116.39 3g45 h LEU 633 Ca 0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3g45 h LEU 633 Cb 0.36 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3g45 h LEU 633 CO 0.00 0.10 0.00 1.33 -0.34 0.00 0.00 178.44 179.53 3g45 n VAL 634 N -5.00 2.10 -1.70 1.05 0.24 -0.61 -5.04 118.33 109.38 3g45 n VAL 634 Ca 0.16 -1.78 -0.39 0.00 -2.04 0.00 0.00 64.34 60.29 3g45 n VAL 634 Cb 0.45 -0.15 0.04 0.00 -1.47 0.00 0.00 33.84 32.71 3g45 n VAL 634 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3g45 n GLN 635 N -0.42 1.49 -0.07 7.34 10.64 0.34 -1.36 117.38 135.32 3g45 n GLN 635 Ca 0.20 0.55 0.01 0.00 -1.83 0.00 0.00 57.00 55.93 3g45 n GLN 635 Cb 0.82 -2.42 0.04 0.00 -0.86 0.00 0.00 30.24 27.82 3g45 n GLN 635 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 3g45 n PRO 636 N -0.84 1.32 -1.59 2.61 -0.04 -1.26 -4.95 135.00 130.25 3g45 n PRO 636 Ca 0.11 -0.36 -0.29 0.00 -0.04 0.00 0.00 63.50 62.92 3g45 n PRO 636 Cb 0.44 -1.28 0.15 0.00 -0.04 0.00 0.00 33.50 32.77 3g45 n PRO 636 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3g45 s ASP 637 N -0.64 3.27 0.00 3.54 -1.08 -0.47 -4.21 116.67 117.07 3g45 s ASP 637 Ca 0.06 0.80 0.00 0.00 -0.52 0.00 0.00 52.55 52.89 3g45 s ASP 637 Cb 0.04 -1.24 0.00 0.00 -1.46 0.00 0.00 42.92 40.25 3g45 s ASP 637 CO 0.03 -2.69 0.00 0.00 0.52 0.00 0.00 175.17 173.04 3g45 n ALA 638 N -3.83 0.00 0.05 3.66 0.00 -1.26 -4.73 120.51 114.39 3g45 n ALA 638 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.35 3g45 n ALA 638 Cb 0.59 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 3g45 n ALA 638 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3g45 h GLN 639 N 1.64 0.60 -0.34 0.00 5.75 -1.95 -0.73 115.11 120.08 3g45 h GLN 639 Ca 0.00 -0.64 -0.09 0.00 -0.15 0.00 0.00 58.65 57.77 3g45 h GLN 639 Cb 0.10 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 3g45 h GLN 639 CO 0.00 1.24 -0.18 0.22 -2.65 0.00 0.00 178.83 177.46 3g45 h ASP 640 N 0.34 0.62 -0.53 -0.69 1.82 -1.91 -1.19 116.42 114.88 3g45 h ASP 640 Ca -0.11 -0.20 0.05 0.00 -0.39 0.00 0.00 57.03 56.38 3g45 h ASP 640 Cb 1.64 -0.17 -0.05 0.00 0.68 0.00 0.00 39.33 41.43 3g45 h ASP 640 CO 0.19 0.81 0.27 0.40 -1.61 0.00 0.00 179.24 179.30 3g45 h ILE 641 N 0.56 0.96 -0.15 2.25 2.04 -1.86 0.40 117.51 121.70 3g45 h ILE 641 Ca 0.09 -0.18 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 3g45 h ILE 641 Cb 0.63 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3g45 h ILE 641 CO 0.04 0.10 -0.46 0.25 0.00 0.00 0.00 178.15 178.08 3g45 h LEU 642 N 0.53 0.40 -0.25 1.44 5.85 -0.76 -1.89 115.31 120.63 3g45 h LEU 642 Ca 0.24 -0.19 -0.21 0.00 0.84 0.00 0.00 57.88 58.56 3g45 h LEU 642 Cb 0.14 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3g45 h LEU 642 CO -0.16 0.80 -0.77 0.44 -0.34 0.00 0.00 178.44 178.41 3g45 h ASP 643 N 0.30 0.76 -0.71 1.25 3.32 -0.85 -2.69 116.42 117.80 3g45 h ASP 643 Ca 0.02 -0.50 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 3g45 h ASP 643 Cb 0.93 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 3g45 h ASP 643 CO 0.08 1.28 0.23 0.74 -1.72 0.00 0.00 179.24 179.85 3g45 h THR 644 N 0.43 1.26 -0.70 0.35 2.02 -0.78 -1.79 112.91 113.70 3g45 h THR 644 Ca -0.05 -0.89 0.09 0.00 0.77 0.00 0.00 66.41 66.33 3g45 h THR 644 Cb 1.38 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 3g45 h THR 644 CO 0.15 0.35 0.34 0.25 0.37 0.00 0.00 175.52 176.98 3g45 h LEU 645 N 1.07 0.44 -0.36 2.58 5.85 -1.29 -0.03 115.31 123.58 3g45 h LEU 645 Ca 0.23 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.93 3g45 h LEU 645 Cb 0.30 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3g45 h LEU 645 CO -0.01 0.26 -0.10 -0.33 -0.34 0.00 0.00 178.44 177.92 3g45 h GLU 646 N 0.59 0.70 -0.31 1.25 5.08 -1.13 -1.26 114.58 119.49 3g45 h GLU 646 Ca 0.34 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3g45 h GLU 646 Cb 0.36 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 3g45 h GLU 646 CO -0.27 0.87 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.10 3g45 h ASP 647 N 0.49 -0.27 0.05 1.42 3.32 -1.11 0.12 116.42 120.44 3g45 h ASP 647 Ca 0.09 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3g45 h ASP 647 Cb 0.62 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3g45 h ASP 647 CO 0.04 -0.10 -0.02 0.78 -1.72 0.00 0.00 179.24 178.22 3g45 h ASN 648 N 0.01 -0.05 -0.73 6.45 2.35 -0.94 0.22 115.58 122.88 3g45 h ASN 648 Ca 0.15 -0.12 0.15 0.00 -0.55 0.00 0.00 56.30 55.93 3g45 h ASN 648 Cb 0.23 0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.51 3g45 h ASN 648 CO -0.32 0.09 0.24 -0.09 -1.65 0.00 0.00 177.43 175.70 3g45 h ARG 649 N -0.19 0.35 -0.05 0.81 2.43 -1.12 -1.31 114.38 115.30 3g45 h ARG 649 Ca -0.01 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 3g45 h ARG 649 Cb 0.17 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3g45 h ARG 649 CO 0.01 0.23 -0.66 -0.91 -1.51 0.00 0.00 179.97 177.13 3g45 h ASN 650 N 0.36 0.25 -0.23 -3.80 2.35 -0.19 -0.97 115.58 113.35 3g45 h ASN 650 Ca 0.40 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3g45 h ASN 650 Cb 0.64 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3g45 h ASN 650 CO -0.44 0.84 0.15 -0.25 -1.65 0.00 0.00 177.43 176.08 3g45 h TRP 651 N 0.15 0.30 -0.10 1.19 7.01 0.02 0.19 115.95 124.71 3g45 h TRP 651 Ca -0.01 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.90 3g45 h TRP 651 Cb 1.19 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.14 3g45 h TRP 651 CO 0.02 0.21 -0.35 1.88 -2.79 0.00 0.00 178.44 177.41 3g45 h TYR 652 N 0.30 0.23 -0.21 2.65 0.05 -1.09 -2.27 116.97 116.63 3g45 h TYR 652 Ca 0.08 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 3g45 h TYR 652 Cb -0.01 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 3g45 h TYR 652 CO -0.05 0.53 0.04 0.37 -1.05 0.00 0.00 178.16 178.00 3g45 h GLN 653 N 0.18 0.35 -0.12 4.88 4.15 -0.99 -2.84 115.11 120.72 3g45 h GLN 653 Ca 0.02 -0.09 0.04 0.00 0.77 0.00 0.00 58.65 59.38 3g45 h GLN 653 Cb 0.71 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 3g45 h GLN 653 CO 0.05 0.50 0.16 0.66 -1.93 0.00 0.00 178.83 178.27 3g45 h SER 654 N 0.15 0.00 -0.57 -0.69 4.64 -0.26 -1.33 113.55 115.48 3g45 h SER 654 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3g45 h SER 654 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3g45 h SER 654 CO 0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 3g45 n MET 655 N -3.70 3.64 -2.99 4.77 2.81 -0.89 -4.89 117.12 115.88 3g45 n MET 655 Ca 0.00 -2.61 -0.42 0.00 -1.81 0.00 0.00 57.70 52.86 3g45 n MET 655 Cb 0.27 -1.90 -0.05 0.00 -0.71 0.00 0.00 33.22 30.82 3g45 n MET 655 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3g45 s ILE 656 N -1.95 4.77 0.09 2.02 1.01 -0.51 -4.94 121.20 121.69 3g45 s ILE 656 Ca 0.46 0.86 -0.31 0.00 0.00 0.00 0.00 60.65 61.67 3g45 s ILE 656 Cb 0.31 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.53 3g45 s ILE 656 CO 0.21 -0.39 1.49 -2.84 0.00 0.00 0.00 174.94 173.41 3g45 s PRO 657 N 3.00 4.26 0.00 2.79 0.02 -1.26 -5.08 135.00 138.74 3g45 s PRO 657 Ca 0.30 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.48 3g45 s PRO 657 Cb -0.14 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 30.99 3g45 s PRO 657 CO 0.16 -0.57 0.00 1.04 -0.33 0.00 0.00 177.00 177.30