#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dga h GLU 285 N 0.00 0.00 -0.28 0.11 5.08 -2.08 -2.25 114.58 115.16 3dga h GLU 285 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3dga h GLU 285 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3dga h GLU 285 CO 0.00 0.13 -0.19 0.93 -1.00 0.00 0.00 179.01 178.88 3dga h GLU 286 N 0.00 0.51 -0.83 2.33 5.08 -2.06 -3.24 114.58 116.37 3dga h GLU 286 Ca -0.00 -0.17 0.17 0.00 -1.00 0.00 0.00 59.36 58.36 3dga h GLU 286 Cb 0.43 -0.04 -0.16 0.00 0.50 0.00 0.00 28.75 29.49 3dga h GLU 286 CO 0.02 0.68 -0.16 0.93 -1.00 0.00 0.00 179.01 179.48 3dga h GLU 287 N 0.46 0.01 -0.33 2.33 5.08 -1.86 -1.07 114.58 119.21 3dga h GLU 287 Ca 0.08 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 3dga h GLU 287 Cb 0.60 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3dga h GLU 287 CO 0.04 0.01 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.27 3dga h ASP 288 N 0.01 0.77 -0.03 1.42 5.19 -1.74 -2.98 116.42 119.07 3dga h ASP 288 Ca 0.41 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 3dga h ASP 288 Cb 0.66 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 3dga h ASP 288 CO -0.83 1.05 -0.01 0.44 -3.12 0.00 0.00 179.24 176.77 3dga h ASP 289 N 0.62 0.10 -0.14 6.45 3.32 -1.34 -1.54 116.42 123.89 3dga h ASP 289 Ca 0.06 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3dga h ASP 289 Cb 0.89 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 3dga h ASP 289 CO 0.08 0.14 0.05 0.15 -1.72 0.00 0.00 179.24 177.93 3dga h PHE 290 N 0.12 0.23 -0.53 4.55 3.57 -1.27 -1.61 116.94 121.99 3dga h PHE 290 Ca 0.03 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3dga h PHE 290 Cb 0.10 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 3dga h PHE 290 CO 0.00 0.34 0.32 0.28 -2.23 0.00 0.00 178.31 177.02 3dga h VAL 291 N 0.06 1.06 0.15 1.41 2.07 -1.26 -2.79 116.25 116.94 3dga h VAL 291 Ca 0.05 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3dga h VAL 291 Cb 0.21 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3dga h VAL 291 CO -0.00 0.12 -0.07 1.88 0.02 0.00 0.00 177.57 179.51 3dga h TYR 292 N 0.63 -0.19 0.00 1.57 0.05 -1.21 -2.37 116.97 115.45 3dga h TYR 292 Ca 0.21 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 3dga h TYR 292 Cb 0.02 0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3dga h TYR 292 CO -0.06 -0.09 0.07 1.19 -1.05 0.00 0.00 178.16 178.22 3dga n PHE 293 N -5.16 0.00 -0.66 4.88 3.01 -0.62 0.59 117.46 119.50 3dga n PHE 293 Ca -0.09 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.45 3dga n PHE 293 Cb 0.12 -0.20 0.19 0.00 -0.01 0.00 0.00 39.48 39.57 3dga n PHE 293 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3dga n ASN 294 N -1.14 3.21 0.22 4.37 3.02 -0.89 -4.67 115.26 119.36 3dga n ASN 294 Ca 0.00 -2.62 0.13 0.00 -0.03 0.00 0.00 54.58 52.06 3dga n ASN 294 Cb 0.07 -0.38 0.67 0.00 -0.61 0.00 0.00 39.78 39.53 3dga n ASN 294 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 3dga h PHE 295 N 1.45 0.00 -0.32 3.10 -0.00 0.09 -2.23 116.94 119.04 3dga h PHE 295 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.94 3dga h PHE 295 Cb 1.08 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.01 3dga h PHE 295 CO 0.30 0.00 0.01 -1.71 -0.00 0.00 0.00 178.31 176.91 3dga n ASN 296 N -2.43 3.89 -4.27 -0.68 5.15 -1.26 -4.83 115.26 110.82 3dga n ASN 296 Ca -0.02 -3.11 -0.44 0.00 -0.60 0.00 0.00 54.58 50.41 3dga n ASN 296 Cb 0.16 -0.58 -0.06 0.00 -0.53 0.00 0.00 39.78 38.77 3dga n ASN 296 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3dga s LYS 297 N -2.89 2.88 0.96 1.20 -0.14 -0.84 -5.07 119.74 115.84 3dga s LYS 297 Ca 0.44 -1.84 -0.14 0.00 -1.36 0.00 0.00 55.97 53.07 3dga s LYS 297 Cb 0.36 -4.18 0.17 0.00 -1.68 0.00 0.00 37.83 32.50 3dga s LYS 297 CO 0.08 -1.28 1.17 -1.21 -0.76 0.00 0.00 175.35 173.36 3dga s GLU 298 N 1.31 0.75 0.22 1.68 2.02 -1.26 -5.00 118.70 118.42 3dga s GLU 298 Ca 0.06 0.09 -0.20 0.00 0.02 0.00 0.00 54.97 54.94 3dga s GLU 298 Cb -0.26 -1.81 -0.13 0.00 0.10 0.00 0.00 34.13 32.03 3dga s GLU 298 CO 0.00 -2.42 0.28 0.36 0.02 0.00 0.00 175.26 173.50 3dga n LYS 299 N -3.88 0.00 -0.26 1.61 2.85 -1.26 -4.88 118.16 112.34 3dga n LYS 299 Ca 0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 3dga n LYS 299 Cb 0.59 -0.79 0.00 0.00 -0.65 0.00 0.00 35.03 34.19 3dga n LYS 299 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3dga n GLU 300 N 0.89 0.83 -0.04 -1.58 2.13 -1.26 -3.21 120.64 118.39 3dga n GLU 300 Ca 0.12 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.88 3dga n GLU 300 Cb 0.24 -1.08 -0.05 0.00 0.27 0.00 0.00 31.44 30.82 3dga n GLU 300 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3dga n GLU 301 N 1.21 1.06 -0.36 5.31 1.02 -1.26 -4.48 120.64 123.14 3dga n GLU 301 Ca 0.00 0.04 -0.06 0.00 -0.02 0.00 0.00 57.16 57.12 3dga n GLU 301 Cb 0.42 -1.19 0.07 0.00 -0.02 0.00 0.00 31.44 30.71 3dga n GLU 301 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3dga n LYS 302 N -2.62 1.54 -0.29 3.49 3.00 -1.20 -4.04 118.16 118.05 3dga n LYS 302 Ca -0.15 -0.93 0.03 0.00 -0.00 0.00 0.00 58.31 57.26 3dga n LYS 302 Cb 0.70 -1.43 0.14 0.00 0.00 0.00 0.00 35.03 34.44 3dga n LYS 302 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3dga n ASN 303 N 0.03 2.44 -0.26 3.14 5.03 -1.26 -5.01 115.26 119.36 3dga n ASN 303 Ca 0.16 -2.26 0.00 0.00 0.87 0.00 0.00 54.58 53.35 3dga n ASN 303 Cb 0.80 -0.48 0.00 0.00 -1.02 0.00 0.00 39.78 39.08 3dga n ASN 303 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3dga n LYS 304 N 0.24 0.00 0.00 3.52 5.02 -1.26 -4.43 118.16 121.25 3dga n LYS 304 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3dga n LYS 304 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 3dga n LYS 304 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dga n ASN 305 N -1.61 0.00 -4.53 4.39 3.02 -1.26 -4.49 115.26 110.77 3dga n ASN 305 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 3dga n ASN 305 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 3dga n ASN 305 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3dga n SER 306 N 0.00 0.35 -4.88 6.41 2.88 -1.26 -4.87 113.62 112.25 3dga n SER 306 Ca 0.00 -1.05 -0.34 0.00 -1.33 0.00 0.00 58.87 56.15 3dga n SER 306 Cb 0.00 -1.16 -0.05 0.00 -0.75 0.00 0.00 64.21 62.25 3dga n SER 306 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3dga s ILE 307 N 8.24 5.21 -0.19 2.46 -5.25 -1.26 -5.09 121.20 125.32 3dga s ILE 307 Ca 1.11 0.23 -0.06 0.00 -0.99 0.00 0.00 60.65 60.94 3dga s ILE 307 Cb -0.46 -3.61 -0.03 0.00 2.95 0.00 0.00 42.46 41.31 3dga s ILE 307 CO 0.30 0.28 0.02 -1.00 -1.79 0.00 0.00 174.94 172.75 3dga s HIS 308 N -1.40 3.09 0.11 1.37 3.76 -1.26 -5.01 115.29 115.95 3dga s HIS 308 Ca 0.32 -0.28 -0.31 0.00 -0.15 0.00 0.00 55.06 54.65 3dga s HIS 308 Cb -0.13 -2.07 -0.11 0.00 1.11 0.00 0.00 32.58 31.38 3dga s HIS 308 CO 0.19 -0.11 1.60 -1.00 -0.85 0.00 0.00 174.74 174.57 3dga h PRO 309 N 7.20 -0.65 -0.80 8.40 0.13 -1.98 -2.40 132.00 141.91 3dga h PRO 309 Ca -0.35 0.04 0.23 0.00 -0.87 0.00 0.00 66.00 65.05 3dga h PRO 309 Cb 1.18 0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 3dga h PRO 309 CO 0.63 -0.43 1.11 0.09 -0.23 0.00 0.00 178.00 179.17 3dga n ASN 310 N -5.46 0.00 0.01 1.44 3.02 -1.26 0.13 115.26 113.13 3dga n ASN 310 Ca -0.08 0.67 0.11 0.00 -0.03 0.00 0.00 54.58 55.25 3dga n ASN 310 Cb 0.37 -0.20 0.48 0.00 -0.61 0.00 0.00 39.78 39.82 3dga n ASN 310 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dga n ASP 311 N -2.98 0.04 -1.93 6.41 8.00 -0.90 -3.57 116.55 121.62 3dga n ASP 311 Ca 0.18 0.51 0.01 0.00 0.71 0.00 0.00 54.79 56.19 3dga n ASP 311 Cb 1.35 -0.52 0.05 0.00 -0.02 0.00 0.00 41.12 41.98 3dga n ASP 311 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3dga n PHE 312 N -1.54 0.66 0.20 1.24 3.72 0.34 -4.80 117.46 117.27 3dga n PHE 312 Ca 0.05 -1.31 -0.16 0.00 -0.05 0.00 0.00 57.45 55.98 3dga n PHE 312 Cb 0.27 -0.20 -0.08 0.00 -0.94 0.00 0.00 39.48 38.52 3dga n PHE 312 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3dga h GLN 313 N 1.66 -0.76 -0.85 -1.08 3.07 -1.61 0.14 115.11 115.69 3dga h GLN 313 Ca -0.13 0.05 0.17 0.00 0.09 0.00 0.00 58.65 58.83 3dga h GLN 313 Cb 1.56 0.17 -0.10 0.00 0.08 0.00 0.00 27.48 29.19 3dga h GLN 313 CO 0.17 -0.50 0.40 0.82 0.09 0.00 0.00 178.83 179.81 3dga h ILE 314 N -0.78 0.63 -0.50 1.86 2.04 -1.90 0.52 117.51 119.38 3dga h ILE 314 Ca -0.02 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 3dga h ILE 314 Cb 0.74 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3dga h ILE 314 CO -0.15 0.09 -0.04 0.22 0.00 0.00 0.00 178.15 178.28 3dga h TYR 315 N 0.52 0.94 0.00 1.37 3.20 -1.58 -3.12 116.97 118.30 3dga h TYR 315 Ca 0.49 -0.15 -0.11 0.00 3.14 0.00 0.00 58.73 62.09 3dga h TYR 315 Cb 0.79 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 3dga h TYR 315 CO -0.12 0.87 -0.99 -0.91 -1.64 0.00 0.00 178.16 175.38 3dga h ASN 316 N 0.80 0.00 -0.85 -2.11 2.35 0.78 -3.32 115.58 113.23 3dga h ASN 316 Ca 0.14 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3dga h ASN 316 Cb 0.53 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.86 3dga h ASN 316 CO 0.03 0.44 0.42 0.77 -1.65 0.00 0.00 177.43 177.44 3dga h SER 317 N 0.00 1.10 -2.26 5.81 4.64 0.02 -3.43 113.55 119.43 3dga h SER 317 Ca -0.08 -0.13 -0.62 0.00 -0.47 0.00 0.00 61.79 60.50 3dga h SER 317 Cb 1.41 -0.28 0.07 0.00 -0.31 0.00 0.00 62.40 63.29 3dga h SER 317 CO 0.04 0.92 0.52 0.18 -0.87 0.00 0.00 176.83 177.62 3dga n LEU 318 N -4.31 2.43 -0.07 5.97 4.77 -1.19 -4.93 117.00 119.67 3dga n LEU 318 Ca 0.09 1.13 -0.07 0.00 -0.03 0.00 0.00 56.01 57.12 3dga n LEU 318 Cb 0.13 -1.33 -0.04 0.00 -2.33 0.00 0.00 43.42 39.85 3dga n LEU 318 CO 0.40 -0.78 -0.22 0.50 -1.33 0.00 0.00 177.39 175.96 3dga h LYS 319 N 4.27 0.00 -5.04 3.23 1.63 -1.92 -3.46 116.57 115.28 3dga h LYS 319 Ca -0.45 0.00 -0.65 0.00 -0.85 0.00 0.00 60.65 58.70 3dga h LYS 319 Cb 1.30 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 32.67 3dga h LYS 319 CO 0.76 0.28 -0.71 0.71 -3.45 0.00 0.00 179.45 177.04 3dga s TYR 320 N -2.08 2.97 -0.69 1.91 2.02 -1.26 -5.03 117.35 115.19 3dga s TYR 320 Ca -0.14 -0.79 0.05 0.00 -0.37 0.00 0.00 57.07 55.82 3dga s TYR 320 Cb 0.02 -2.09 0.24 0.00 -0.40 0.00 0.00 41.96 39.73 3dga s TYR 320 CO 0.27 -0.45 0.77 1.63 -1.57 0.00 0.00 175.55 176.20 3dga n LYS 321 N 4.61 2.59 0.00 -0.62 5.02 -1.26 -4.88 118.16 123.62 3dga n LYS 321 Ca -0.18 -4.64 0.11 0.00 -2.02 0.00 0.00 58.31 51.58 3dga n LYS 321 Cb 0.51 -2.29 0.11 0.00 -0.02 0.00 0.00 35.03 33.34 3dga n LYS 321 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3dga n TYR 322 N 1.08 0.00 -1.73 2.13 4.01 -1.26 -4.83 117.16 116.56 3dga n TYR 322 Ca 0.28 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.60 3dga n TYR 322 Cb 0.39 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 39.27 3dga n TYR 322 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3dga n HIS 323 N -1.38 2.75 0.03 -0.72 -0.00 -1.26 -4.84 115.22 109.80 3dga n HIS 323 Ca 0.06 0.25 0.22 0.00 0.46 0.00 0.00 57.72 58.70 3dga n HIS 323 Cb 0.34 -2.59 0.73 0.00 -0.12 0.00 0.00 29.99 28.35 3dga n HIS 323 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3dga h PRO 324 N 4.96 0.00 0.00 1.57 0.11 -1.97 -0.52 132.00 136.15 3dga h PRO 324 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dga h PRO 324 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dga h PRO 324 CO 0.81 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 180.09 3dga h GLU 325 N 0.00 0.00 0.00 1.05 4.81 -1.97 -1.11 114.58 117.36 3dga h GLU 325 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3dga h GLU 325 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3dga h GLU 325 CO -0.00 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.94 3dga n TYR 326 N -3.00 0.54 -0.15 0.92 4.01 -0.20 -1.82 117.16 117.46 3dga n TYR 326 Ca -0.02 0.21 -0.12 0.00 -0.16 0.00 0.00 57.90 57.81 3dga n TYR 326 Cb 0.12 -0.83 -0.01 0.00 -0.31 0.00 0.00 39.34 38.31 3dga n TYR 326 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3dga h GLN 327 N 0.00 0.97 0.35 -0.72 4.20 -1.39 0.93 115.11 119.44 3dga h GLN 327 Ca 0.00 -0.45 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 3dga h GLN 327 Cb 0.35 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3dga h GLN 327 CO 0.00 1.11 -0.17 -0.92 -0.67 0.00 0.00 178.83 178.19 3dga h TYR 328 N 0.81 -0.43 -0.60 2.96 3.20 -1.53 -3.20 116.97 118.18 3dga h TYR 328 Ca 0.09 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.02 3dga h TYR 328 Cb 0.85 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.21 3dga h TYR 328 CO 0.06 -0.12 0.29 -0.07 -1.64 0.00 0.00 178.16 176.68 3dga h LEU 329 N -0.99 0.40 -1.80 2.82 3.38 -1.38 -2.18 115.31 115.55 3dga h LEU 329 Ca -0.05 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3dga h LEU 329 Cb 0.51 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3dga h LEU 329 CO 0.08 0.25 0.34 0.78 0.09 0.00 0.00 178.44 179.98 3dga h ASN 330 N 0.54 0.21 -0.18 -0.43 2.35 -0.91 -0.38 115.58 116.78 3dga h ASN 330 Ca 0.28 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.83 3dga h ASN 330 Cb 0.24 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.57 3dga h ASN 330 CO -0.21 0.12 -0.68 0.40 -1.65 0.00 0.00 177.43 175.41 3dga h ILE 331 N 0.23 1.29 -0.50 2.81 2.04 -1.39 -0.38 117.51 121.61 3dga h ILE 331 Ca 0.23 -1.89 0.03 0.00 1.00 0.00 0.00 64.86 64.24 3dga h ILE 331 Cb 0.61 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 3dga h ILE 331 CO -0.04 0.60 0.28 0.40 0.00 0.00 0.00 178.15 179.38 3dga h ILE 332 N 0.52 1.01 -0.11 -0.67 1.08 -0.92 0.12 117.51 118.54 3dga h ILE 332 Ca -0.03 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 3dga h ILE 332 Cb 1.31 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 3dga h ILE 332 CO 0.14 0.10 0.06 0.22 -0.69 0.00 0.00 178.15 177.98 3dga h TYR 333 N 0.55 0.16 -0.83 1.37 3.20 -0.99 -1.60 116.97 118.82 3dga h TYR 333 Ca 0.21 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.10 3dga h TYR 333 Cb 0.07 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 3dga h TYR 333 CO -0.08 0.18 0.54 0.22 -1.64 0.00 0.00 178.16 177.38 3dga h ASP 334 N 0.08 0.92 0.07 -2.11 3.58 -0.48 0.33 116.42 118.81 3dga h ASP 334 Ca 0.04 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 3dga h ASP 334 Cb 0.08 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 3dga h ASP 334 CO -0.01 0.65 -0.27 0.40 -2.88 0.00 0.00 179.24 177.13 3dga h ILE 335 N 1.08 1.26 0.00 2.25 2.04 -0.57 0.38 117.51 123.96 3dga h ILE 335 Ca 0.32 -1.23 -0.22 0.00 1.00 0.00 0.00 64.86 64.73 3dga h ILE 335 Cb -0.06 1.43 0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3dga h ILE 335 CO -0.09 0.38 -0.85 0.24 0.00 0.00 0.00 178.15 177.83 3dga h MET 336 N 0.30 0.57 0.00 2.37 2.86 -0.75 0.98 114.93 121.26 3dga h MET 336 Ca 0.04 -0.62 -0.24 0.00 -2.06 0.00 0.00 59.70 56.83 3dga h MET 336 Cb 0.64 0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.49 3dga h MET 336 CO 0.05 1.23 -0.97 0.52 1.06 0.00 0.00 176.91 178.80 3dga h MET 337 N 0.16 0.48 0.00 1.72 2.86 -0.83 -3.39 114.93 115.93 3dga h MET 337 Ca -0.11 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 3dga h MET 337 Cb 1.54 0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.34 3dga h MET 337 CO 0.17 1.16 0.00 0.09 1.06 0.00 0.00 176.91 179.39 3dga n ASN 338 N -3.77 1.13 -4.67 1.22 3.02 0.13 -4.45 115.26 107.86 3dga n ASN 338 Ca -0.08 -1.27 -0.31 0.00 -0.03 0.00 0.00 54.58 52.89 3dga n ASN 338 Cb 0.85 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 40.18 3dga n ASN 338 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3dga s GLY 339 N -0.27 1.68 -0.11 7.41 0.00 0.34 -4.96 107.32 111.41 3dga s GLY 339 Ca 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 44.72 45.17 3dga s GLY 339 CO 0.00 0.96 0.18 -1.31 0.00 0.00 0.00 173.10 172.94 3dga s ASN 340 N -2.72 6.44 -0.33 1.64 0.01 0.17 -4.71 114.94 115.43 3dga s ASN 340 Ca 0.66 0.52 -0.27 0.00 -0.71 0.00 0.00 52.86 53.07 3dga s ASN 340 Cb -0.22 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.35 3dga s ASN 340 CO 0.58 0.36 0.97 -0.54 -1.51 0.00 0.00 177.10 176.97 3dga s LYS 341 N -0.85 3.97 0.16 -0.60 1.02 -1.26 -0.38 119.74 121.80 3dga s LYS 341 Ca 0.16 0.82 0.02 0.00 0.02 0.00 0.00 55.97 56.99 3dga s LYS 341 Cb -0.13 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.38 3dga s LYS 341 CO 0.05 -0.88 -0.03 -0.65 -0.92 0.00 0.00 175.35 172.92 3dga s GLN 342 N 3.47 1.08 0.60 1.68 -0.21 -0.10 -5.01 119.66 121.17 3dga s GLN 342 Ca 0.41 -1.50 0.10 0.00 0.02 0.00 0.00 55.36 54.38 3dga s GLN 342 Cb -0.12 -0.35 0.09 0.00 1.00 0.00 0.00 33.01 33.63 3dga s GLN 342 CO 0.16 -0.07 0.79 -1.54 -2.12 0.00 0.00 175.29 172.51 3dga s SER 343 N -3.17 4.98 0.27 5.90 1.04 -1.26 -0.86 113.70 120.60 3dga s SER 343 Ca 0.21 -0.95 -0.21 0.00 0.48 0.00 0.00 55.95 55.48 3dga s SER 343 Cb 0.05 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.68 3dga s SER 343 CO 0.02 -1.41 0.82 1.51 0.98 0.00 0.00 173.24 175.16 3dga s ASP 344 N -4.68 -0.16 0.57 7.02 -4.77 -1.26 -4.74 116.67 108.65 3dga s ASP 344 Ca 0.60 -0.69 0.45 0.00 -3.30 0.00 0.00 52.55 49.61 3dga s ASP 344 Cb -0.05 0.68 1.56 0.00 -1.09 0.00 0.00 42.92 44.03 3dga s ASP 344 CO 0.38 -1.30 1.52 -0.09 0.70 0.00 0.00 175.17 176.39 3dga h ARG 345 N 2.00 0.00 0.00 2.11 2.43 -2.04 0.29 114.38 119.18 3dga h ARG 345 Ca -0.24 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.60 3dga h ARG 345 Cb 1.24 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 3dga h ARG 345 CO 0.29 0.00 -1.99 0.25 -1.51 0.00 0.00 179.97 177.01 3dga n THR 346 N -3.79 1.53 0.00 0.20 -2.24 -1.26 -5.00 114.28 103.72 3dga n THR 346 Ca 0.40 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3dga n THR 346 Cb 1.90 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3dga n THR 346 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dga n GLY 347 N 1.66 1.96 0.37 3.38 0.00 0.10 -4.92 105.19 107.73 3dga n GLY 347 Ca -0.24 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.88 3dga n GLY 347 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dga h VAL 348 N 0.00 0.87 0.00 1.61 2.07 -1.95 -3.45 116.25 115.41 3dga h VAL 348 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3dga h VAL 348 Cb 0.00 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3dga h VAL 348 CO 0.00 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.34 3dga n GLY 349 N -1.41 0.13 3.21 2.17 0.00 -1.26 -4.70 105.19 103.32 3dga n GLY 349 Ca 0.17 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 3dga n GLY 349 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dga s VAL 350 N -0.80 0.07 -0.07 1.61 -7.23 -0.04 -1.66 120.40 112.29 3dga s VAL 350 Ca 0.00 -1.83 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 3dga s VAL 350 Cb 0.00 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 3dga s VAL 350 CO 0.00 -0.33 -0.01 -0.76 -0.31 0.00 0.00 175.10 173.69 3dga s LEU 351 N -3.06 3.50 0.05 1.32 1.43 -0.67 -0.92 118.68 120.33 3dga s LEU 351 Ca 0.26 0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 3dga s LEU 351 Cb 0.06 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3dga s LEU 351 CO 0.04 0.36 0.24 -0.94 0.23 0.00 0.00 176.35 176.28 3dga s SER 352 N -0.98 -0.02 0.21 2.29 1.04 0.48 -1.20 113.70 115.52 3dga s SER 352 Ca 0.14 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.23 3dga s SER 352 Cb -0.11 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 3dga s SER 352 CO 0.03 -0.61 0.11 -0.54 0.98 0.00 0.00 173.24 173.22 3dga s LYS 353 N -2.76 1.22 -0.11 4.02 -0.14 -0.71 -0.66 119.74 120.60 3dga s LYS 353 Ca -0.04 -1.64 -0.00 0.00 -1.36 0.00 0.00 55.97 52.93 3dga s LYS 353 Cb -0.00 0.14 0.02 0.00 -1.68 0.00 0.00 37.83 36.31 3dga s LYS 353 CO -0.05 -0.35 -0.09 0.12 -0.76 0.00 0.00 175.35 174.22 3dga s PHE 354 N -4.05 1.55 0.00 3.18 5.36 -1.26 -1.60 117.98 121.15 3dga s PHE 354 Ca 0.37 -0.78 0.00 0.00 -0.96 0.00 0.00 56.93 55.57 3dga s PHE 354 Cb 0.07 -1.26 0.00 0.00 -0.34 0.00 0.00 43.02 41.49 3dga s PHE 354 CO 0.11 -0.52 0.00 0.41 -1.46 0.00 0.00 175.22 173.77 3dga n GLY 355 N 4.86 -2.00 3.27 13.12 0.00 0.49 -5.01 105.19 119.91 3dga n GLY 355 Ca -0.14 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 3dga n GLY 355 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dga s TYR 356 N 0.00 1.35 -0.06 1.61 2.02 -0.10 -4.97 117.35 117.21 3dga s TYR 356 Ca 0.00 -0.86 -0.04 0.00 -0.37 0.00 0.00 57.07 55.80 3dga s TYR 356 Cb 0.00 -0.74 0.03 0.00 -0.40 0.00 0.00 41.96 40.85 3dga s TYR 356 CO 0.00 -0.01 0.16 -1.50 -1.57 0.00 0.00 175.55 172.62 3dga s ILE 357 N -3.42 -0.02 0.05 2.71 2.07 -1.26 -0.19 121.20 121.14 3dga s ILE 357 Ca 0.22 0.07 0.07 0.00 -1.41 0.00 0.00 60.65 59.60 3dga s ILE 357 Cb 0.04 -0.24 -0.03 0.00 0.13 0.00 0.00 42.46 42.37 3dga s ILE 357 CO 0.04 0.03 -0.19 -0.04 -1.91 0.00 0.00 174.94 172.87 3dga s MET 358 N 0.55 1.25 -0.07 3.50 -1.94 -0.07 -4.98 119.30 117.53 3dga s MET 358 Ca -0.04 -0.92 0.02 0.00 -1.71 0.00 0.00 55.69 53.05 3dga s MET 358 Cb -0.05 -1.35 0.01 0.00 2.01 0.00 0.00 34.83 35.45 3dga s MET 358 CO -0.03 0.34 -0.13 0.15 -0.01 0.00 0.00 175.02 175.34 3dga s LYS 359 N -1.24 1.82 -0.08 2.03 1.02 -1.26 -0.52 119.74 121.51 3dga s LYS 359 Ca 0.06 -0.45 0.04 0.00 0.02 0.00 0.00 55.97 55.64 3dga s LYS 359 Cb -0.09 -1.51 0.00 0.00 -0.52 0.00 0.00 37.83 35.72 3dga s LYS 359 CO 0.02 0.02 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.22 3dga s PHE 360 N 0.71 2.05 -0.79 3.18 0.08 -0.39 -4.98 117.98 117.83 3dga s PHE 360 Ca -0.14 -0.77 -0.19 0.00 0.12 0.00 0.00 56.93 55.95 3dga s PHE 360 Cb -0.16 -1.40 0.12 0.00 -0.57 0.00 0.00 43.02 41.01 3dga s PHE 360 CO 0.03 -0.32 0.97 0.34 -0.10 0.00 0.00 175.22 176.14 3dga s ASP 361 N 0.38 6.45 0.11 1.36 -1.08 -1.26 -0.82 116.67 121.82 3dga s ASP 361 Ca -0.14 -1.77 0.16 0.00 -0.52 0.00 0.00 52.55 50.28 3dga s ASP 361 Cb -0.16 -2.36 0.71 0.00 -1.46 0.00 0.00 42.92 39.64 3dga s ASP 361 CO 0.06 -1.10 1.50 0.18 0.52 0.00 0.00 175.17 176.33 3dga n LEU 362 N 6.47 0.27 -0.03 -1.34 4.77 0.13 -1.32 117.00 125.94 3dga n LEU 362 Ca 0.10 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 3dga n LEU 362 Cb 0.47 -0.55 0.48 0.00 -2.33 0.00 0.00 43.42 41.48 3dga n LEU 362 CO 0.53 -0.45 0.75 -1.54 -1.33 0.00 0.00 177.39 175.35 3dga n SER 363 N -1.81 0.31 -0.00 -1.43 3.41 -1.24 -3.83 113.62 109.02 3dga n SER 363 Ca 0.02 -0.04 0.03 0.00 -0.26 0.00 0.00 58.87 58.63 3dga n SER 363 Cb 0.16 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 3dga n SER 363 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dga n GLN 364 N -1.37 0.31 -3.58 4.33 1.13 -0.44 -5.10 117.38 112.66 3dga n GLN 364 Ca 0.08 -0.06 0.02 0.00 -1.94 0.00 0.00 57.00 55.10 3dga n GLN 364 Cb 0.32 -1.17 -0.00 0.00 0.11 0.00 0.00 30.24 29.50 3dga n GLN 364 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 3dga s TYR 365 N -2.48 -0.02 -0.31 1.08 -0.85 -0.87 -5.06 117.35 108.85 3dga s TYR 365 Ca -0.03 -0.01 -0.09 0.00 -0.52 0.00 0.00 57.07 56.43 3dga s TYR 365 Cb 0.04 0.51 -0.00 0.00 0.38 0.00 0.00 41.96 42.89 3dga s TYR 365 CO 0.30 -0.07 0.13 0.12 -1.52 0.00 0.00 175.55 174.50 3dga s PHE 366 N -2.12 3.17 -0.96 -3.49 5.36 -0.50 -4.05 117.98 115.39 3dga s PHE 366 Ca 0.14 -0.69 -0.14 0.00 -0.96 0.00 0.00 56.93 55.28 3dga s PHE 366 Cb 0.06 -2.33 -0.09 0.00 -0.34 0.00 0.00 43.02 40.32 3dga s PHE 366 CO -0.05 -0.49 2.10 -0.35 -1.46 0.00 0.00 175.22 174.96 3dga n PRO 367 N 4.95 2.02 -3.43 10.12 -0.04 -1.26 -3.82 135.00 143.53 3dga n PRO 367 Ca -0.14 -1.81 -0.40 0.00 -0.04 0.00 0.00 63.50 61.11 3dga n PRO 367 Cb 0.49 -2.78 -0.10 0.00 -0.04 0.00 0.00 33.50 31.07 3dga n PRO 367 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3dga s LEU 368 N 0.83 4.36 0.34 1.53 2.96 -1.26 -4.47 118.68 122.97 3dga s LEU 368 Ca 0.50 -0.17 -0.26 0.00 -0.22 0.00 0.00 54.13 53.98 3dga s LEU 368 Cb 0.13 -2.30 -0.13 0.00 0.50 0.00 0.00 46.19 44.39 3dga s LEU 368 CO 0.03 -0.28 0.85 0.18 -1.32 0.00 0.00 176.35 175.81 3dga n LEU 369 N 5.31 1.24 -0.00 -0.68 4.77 -1.26 -4.80 117.00 121.58 3dga n LEU 369 Ca -0.10 1.08 0.04 0.00 -0.03 0.00 0.00 56.01 57.00 3dga n LEU 369 Cb 0.50 -1.23 -0.06 0.00 -2.33 0.00 0.00 43.42 40.30 3dga n LEU 369 CO 0.39 -1.93 -0.23 0.35 -1.33 0.00 0.00 177.39 174.64 3dga n THR 370 N -0.23 0.00 1.28 -5.08 -2.24 -1.26 -4.47 114.28 102.28 3dga n THR 370 Ca 0.11 -0.26 0.05 0.00 -2.27 0.00 0.00 64.05 61.68 3dga n THR 370 Cb 0.35 0.75 0.32 0.00 -2.10 0.00 0.00 70.33 69.64 3dga n THR 370 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dga n THR 371 N -1.43 0.00 -3.51 4.28 -2.24 -1.26 -0.23 114.28 109.89 3dga n THR 371 Ca 0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 3dga n THR 371 Cb 0.18 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 3dga n THR 371 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3dga s LYS 372 N -2.00 0.78 0.15 -0.78 -2.85 -1.26 -4.68 119.74 109.10 3dga s LYS 372 Ca 0.16 -0.28 -0.28 0.00 -1.00 0.00 0.00 55.97 54.57 3dga s LYS 372 Cb 0.07 0.36 -0.07 0.00 -2.06 0.00 0.00 37.83 36.13 3dga s LYS 372 CO 0.12 -0.34 0.88 0.21 0.10 0.00 0.00 175.35 176.32 3dga s LYS 373 N -3.03 4.69 0.03 1.78 2.20 -1.23 -4.60 119.74 119.57 3dga s LYS 373 Ca 0.05 1.33 0.02 0.00 -0.36 0.00 0.00 55.97 57.01 3dga s LYS 373 Cb -0.01 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 3dga s LYS 373 CO -0.08 0.41 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.73 3dga s LEU 374 N -0.66 2.16 0.03 5.43 1.43 -1.26 -4.75 118.68 121.05 3dga s LEU 374 Ca 0.41 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 3dga s LEU 374 Cb -0.24 -0.24 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 3dga s LEU 374 CO 0.29 -0.09 -0.19 -0.36 0.23 0.00 0.00 176.35 176.23 3dga s PHE 375 N -0.88 2.53 -0.41 0.29 0.40 -1.26 -5.04 117.98 113.62 3dga s PHE 375 Ca -0.05 -0.27 0.09 0.00 -0.60 0.00 0.00 56.93 56.09 3dga s PHE 375 Cb -0.07 -1.48 -0.09 0.00 0.51 0.00 0.00 43.02 41.89 3dga s PHE 375 CO 0.00 0.21 0.37 1.28 0.70 0.00 0.00 175.22 177.78 3dga n LEU 376 N 1.72 0.41 -0.24 -0.37 4.77 -1.26 -4.65 117.00 117.39 3dga n LEU 376 Ca -0.16 -0.50 0.04 0.00 -0.03 0.00 0.00 56.01 55.36 3dga n LEU 376 Cb 0.52 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.76 3dga n LEU 376 CO 0.26 0.10 0.87 -0.09 -1.33 0.00 0.00 177.39 177.20 3dga h ARG 377 N 0.01 0.17 0.60 3.23 2.43 -1.99 -0.78 114.38 118.05 3dga h ARG 377 Ca 0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3dga h ARG 377 Cb 0.20 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3dga h ARG 377 CO 0.00 0.11 -0.37 0.78 -1.51 0.00 0.00 179.97 178.98 3dga h GLY 378 N 0.17 -1.00 2.00 2.80 0.00 -1.96 -1.47 103.07 103.61 3dga h GLY 378 Ca 0.39 0.41 0.00 0.00 0.00 0.00 0.00 47.33 48.13 3dga h GLY 378 CO -0.57 -0.36 0.00 0.16 0.00 0.00 0.00 176.54 175.78 3dga h ILE 379 N -0.92 0.00 0.18 2.60 3.07 -1.70 0.15 117.51 120.89 3dga h ILE 379 Ca -0.07 -0.18 -0.27 0.00 1.55 0.00 0.00 64.86 65.89 3dga h ILE 379 Cb 0.75 1.08 0.02 0.00 -0.27 0.00 0.00 36.82 38.40 3dga h ILE 379 CO 0.08 0.00 -1.25 0.40 -1.05 0.00 0.00 178.15 176.33 3dga h ILE 380 N 0.00 1.28 -0.77 0.16 2.04 -0.92 -1.65 117.51 117.65 3dga h ILE 380 Ca 0.00 -2.56 -0.04 0.00 1.00 0.00 0.00 64.86 63.26 3dga h ILE 380 Cb 0.19 3.01 -0.04 0.00 -0.74 0.00 0.00 36.82 39.25 3dga h ILE 380 CO 0.00 0.76 0.33 -0.33 0.00 0.00 0.00 178.15 178.91 3dga h GLU 381 N -0.14 1.13 -0.45 2.37 4.39 -0.44 0.90 114.58 122.34 3dga h GLU 381 Ca -0.23 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 3dga h GLU 381 Cb 1.89 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 3dga h GLU 381 CO 0.18 0.90 0.24 1.49 -1.16 0.00 0.00 179.01 180.65 3dga h GLU 382 N 1.11 0.63 -0.53 2.33 4.81 -0.76 -0.05 114.58 122.12 3dga h GLU 382 Ca 0.26 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3dga h GLU 382 Cb 0.17 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3dga h GLU 382 CO -0.03 0.52 0.23 1.25 -0.73 0.00 0.00 179.01 180.25 3dga h LEU 383 N 0.59 0.71 -1.06 1.64 5.85 -0.58 0.16 115.31 122.62 3dga h LEU 383 Ca 0.16 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3dga h LEU 383 Cb 0.07 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3dga h LEU 383 CO -0.02 0.67 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.54 3dga h LEU 384 N 0.71 0.49 -0.48 2.25 3.38 -0.68 -0.90 115.31 120.08 3dga h LEU 384 Ca 0.18 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3dga h LEU 384 Cb 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3dga h LEU 384 CO -0.02 0.66 0.19 -0.25 0.09 0.00 0.00 178.44 179.11 3dga h TRP 385 N 0.47 0.73 0.04 1.13 7.01 -0.29 -1.94 115.95 123.10 3dga h TRP 385 Ca 0.08 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 3dga h TRP 385 Cb 0.52 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 3dga h TRP 385 CO 0.02 0.62 -0.02 0.74 -2.79 0.00 0.00 178.44 177.01 3dga h PHE 386 N 0.64 -0.04 -0.51 2.65 0.04 -0.04 -2.83 116.94 116.85 3dga h PHE 386 Ca 0.16 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.05 3dga h PHE 386 Cb 0.20 0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 3dga h PHE 386 CO 0.00 0.07 0.35 0.82 -0.60 0.00 0.00 178.31 178.96 3dga h ILE 387 N -0.15 0.81 -0.00 -0.55 2.04 -0.95 0.21 117.51 118.92 3dga h ILE 387 Ca -0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3dga h ILE 387 Cb 0.13 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3dga h ILE 387 CO 0.01 0.02 -0.00 0.54 0.00 0.00 0.00 178.15 178.72 3dga n ARG 388 N -4.43 0.42 -1.02 2.37 1.74 -0.75 -4.89 116.66 110.10 3dga n ARG 388 Ca 0.09 -0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.16 3dga n ARG 388 Cb 0.48 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3dga n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dga n GLY 389 N 1.29 0.47 3.76 -0.13 0.00 0.74 -5.01 105.19 106.31 3dga n GLY 389 Ca 0.14 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3dga n GLY 389 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dga s GLU 390 N -0.73 2.61 0.00 1.61 2.02 -1.10 -3.78 118.70 119.32 3dga s GLU 390 Ca 0.00 1.43 0.00 0.00 0.02 0.00 0.00 54.97 56.42 3dga s GLU 390 Cb 0.00 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.31 3dga s GLU 390 CO 0.00 -1.41 0.39 0.25 0.02 0.00 0.00 175.26 174.51 3dga n THR 391 N -2.61 0.00 -2.98 3.63 -2.24 -1.26 -4.36 114.28 104.46 3dga n THR 391 Ca 0.11 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 3dga n THR 391 Cb 0.52 1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 69.89 3dga n THR 391 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3dga s ASN 392 N 0.00 6.32 0.51 3.42 3.84 -1.26 -1.96 114.94 125.81 3dga s ASN 392 Ca 0.00 -0.46 0.20 0.00 0.21 0.00 0.00 52.86 52.81 3dga s ASN 392 Cb 0.00 -2.37 1.31 0.00 -0.55 0.00 0.00 41.25 39.64 3dga s ASN 392 CO 0.00 -1.03 2.10 1.23 -2.79 0.00 0.00 177.10 176.61 3dga h GLY 393 N 10.32 0.00 0.86 1.21 0.00 -1.50 -2.37 103.07 111.59 3dga h GLY 393 Ca -0.26 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.15 3dga h GLY 393 CO 1.01 0.00 0.54 3.43 0.00 0.00 0.00 176.54 181.52 3dga h ASN 394 N 0.00 0.76 -0.69 0.19 -0.26 -1.92 -1.04 115.58 112.63 3dga h ASN 394 Ca -0.00 0.01 0.06 0.00 -0.56 0.00 0.00 56.30 55.81 3dga h ASN 394 Cb 0.18 -0.15 -0.06 0.00 -1.06 0.00 0.00 38.32 37.23 3dga h ASN 394 CO 0.01 0.47 0.39 0.74 -1.06 0.00 0.00 177.43 177.99 3dga h THR 395 N 0.86 0.98 -0.18 2.81 2.02 -1.83 0.47 112.91 118.04 3dga h THR 395 Ca 0.37 -0.25 -0.21 0.00 0.77 0.00 0.00 66.41 67.10 3dga h THR 395 Cb 0.32 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3dga h THR 395 CO -0.14 0.13 -0.71 -0.07 0.37 0.00 0.00 175.52 175.10 3dga h LEU 396 N 0.72 0.88 -1.40 2.58 3.38 -1.40 -3.17 115.31 116.91 3dga h LEU 396 Ca 0.31 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 3dga h LEU 396 Cb 0.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3dga h LEU 396 CO -0.18 1.34 -0.18 -0.07 0.09 0.00 0.00 178.44 179.44 3dga h LEU 397 N 0.54 0.17 0.00 1.67 3.38 -0.72 0.40 115.31 120.74 3dga h LEU 397 Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3dga h LEU 397 Cb 1.32 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3dga h LEU 397 CO 0.14 0.36 0.00 0.59 0.09 0.00 0.00 178.44 179.63 3dga n ASN 398 N -4.25 0.00 -0.65 -0.43 3.02 0.11 -1.36 115.26 111.70 3dga n ASN 398 Ca -0.01 0.09 0.08 0.00 -0.03 0.00 0.00 54.58 54.70 3dga n ASN 398 Cb 0.29 -0.33 0.20 0.00 -0.61 0.00 0.00 39.78 39.33 3dga n ASN 398 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dga n LYS 399 N -1.33 2.67 -3.86 3.52 5.02 -0.68 -4.96 118.16 118.54 3dga n LYS 399 Ca 0.09 -2.53 -0.28 0.00 -2.02 0.00 0.00 58.31 53.57 3dga n LYS 399 Cb 0.19 -1.61 0.03 0.00 -0.02 0.00 0.00 35.03 33.62 3dga n LYS 399 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dga n ASN 400 N -0.42 -3.69 -4.13 4.39 5.15 -0.46 -4.97 115.26 111.14 3dga n ASN 400 Ca 0.17 -0.80 -0.34 0.00 -0.60 0.00 0.00 54.58 53.02 3dga n ASN 400 Cb 0.71 -3.92 -0.14 0.00 -0.53 0.00 0.00 39.78 35.90 3dga n ASN 400 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3dga s VAL 401 N -3.42 2.63 -1.19 3.44 1.01 0.04 -4.99 120.40 117.92 3dga s VAL 401 Ca 0.46 -1.52 0.19 0.00 0.00 0.00 0.00 61.98 61.11 3dga s VAL 401 Cb -0.23 -2.54 0.73 0.00 0.00 0.00 0.00 36.38 34.34 3dga s VAL 401 CO 0.83 -0.09 1.64 0.54 0.00 0.00 0.00 175.10 178.02 3dga n ARG 402 N 4.53 3.73 -0.30 2.72 1.74 -1.26 -3.26 116.66 124.57 3dga n ARG 402 Ca -0.13 -2.91 0.13 0.00 -0.77 0.00 0.00 57.85 54.18 3dga n ARG 402 Cb 0.43 -1.89 0.30 0.00 -1.02 0.00 0.00 32.46 30.27 3dga n ARG 402 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3dga h ILE 403 N 4.19 0.39 -0.02 0.55 2.04 -1.95 -1.63 117.51 121.07 3dga h ILE 403 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3dga h ILE 403 Cb 1.45 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3dga h ILE 403 CO 0.23 0.05 -0.18 0.79 0.00 0.00 0.00 178.15 179.04 3dga n TRP 404 N -5.14 0.00 -0.24 1.37 7.02 -1.26 -4.65 117.44 114.53 3dga n TRP 404 Ca 0.22 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.74 3dga n TRP 404 Cb 0.68 0.00 0.14 0.00 -2.42 0.00 0.00 31.31 29.71 3dga n TRP 404 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3dga h GLU 405 N 3.78 0.12 0.00 -0.99 4.81 -1.59 -0.64 114.58 120.06 3dga h GLU 405 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3dga h GLU 405 Cb 0.89 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 3dga h GLU 405 CO 0.00 0.08 -0.18 0.00 -0.73 0.00 0.00 179.01 178.17 3dga h ALA 406 N 1.65 1.29 -0.01 2.92 0.00 -1.83 -2.54 119.26 120.74 3dga h ALA 406 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3dga h ALA 406 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3dga h ALA 406 CO -0.61 0.23 -0.03 0.09 0.00 0.00 0.00 179.25 178.93 3dga n ASN 407 N -3.72 0.70 -0.11 0.00 3.02 -0.26 -3.88 115.26 111.01 3dga n ASN 407 Ca -0.02 -1.10 0.05 0.00 -0.03 0.00 0.00 54.58 53.48 3dga n ASN 407 Cb 0.30 -0.01 0.08 0.00 -0.61 0.00 0.00 39.78 39.53 3dga n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dga n GLY 408 N 1.13 3.83 3.87 7.41 0.00 -0.96 -4.59 105.19 115.88 3dga n GLY 408 Ca 0.20 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 3dga n GLY 408 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dga s THR 409 N -1.87 3.41 0.10 2.61 -4.23 -1.24 -0.41 115.64 114.01 3dga s THR 409 Ca 0.17 0.46 -0.23 0.00 -1.18 0.00 0.00 61.69 60.91 3dga s THR 409 Cb 0.14 -3.40 -0.10 0.00 1.34 0.00 0.00 72.50 70.48 3dga s THR 409 CO 0.03 -0.60 1.71 -0.09 -0.54 0.00 0.00 174.62 175.13 3dga h ARG 410 N -0.74 -0.10 0.00 3.99 9.65 -1.96 -0.48 114.38 124.74 3dga h ARG 410 Ca -0.45 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.46 3dga h ARG 410 Cb 1.26 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.82 3dga h ARG 410 CO 0.63 -0.07 -0.22 0.93 2.80 0.00 0.00 179.97 184.04 3dga h GLU 411 N -0.11 -0.33 0.12 0.20 3.07 -1.97 0.19 114.58 115.76 3dga h GLU 411 Ca 0.03 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.92 3dga h GLU 411 Cb 0.15 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3dga h GLU 411 CO -0.08 -0.22 -0.15 0.35 -1.40 0.00 0.00 179.01 177.51 3dga h PHE 412 N -0.34 -0.39 -0.70 4.33 3.04 -1.79 0.03 116.94 121.11 3dga h PHE 412 Ca 0.06 0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.10 3dga h PHE 412 Cb 0.42 0.16 -0.07 0.00 2.56 0.00 0.00 35.95 39.02 3dga h PHE 412 CO -0.26 -0.23 0.36 -0.07 -2.02 0.00 0.00 178.31 176.10 3dga h LEU 413 N -0.32 0.49 -1.08 0.59 3.38 -0.85 -2.00 115.31 115.52 3dga h LEU 413 Ca 0.01 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3dga h LEU 413 Cb 0.31 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3dga h LEU 413 CO -0.06 0.29 -0.16 0.44 0.09 0.00 0.00 178.44 179.04 3dga h ASP 414 N 0.63 0.45 1.14 -0.43 3.32 -0.17 0.30 116.42 121.65 3dga h ASP 414 Ca 0.34 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3dga h ASP 414 Cb 0.32 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3dga h ASP 414 CO -0.25 0.63 0.00 0.78 -1.72 0.00 0.00 179.24 178.69 3dga h ASN 415 N 0.42 0.00 -0.14 6.45 2.35 -0.30 -1.37 115.58 122.99 3dga h ASN 415 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3dga h ASN 415 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3dga h ASN 415 CO 0.03 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.35 3dga n ARG 416 N -2.59 1.96 -1.11 0.81 5.12 -0.76 -4.93 116.66 115.16 3dga n ARG 416 Ca 0.03 -1.43 -0.04 0.00 -1.93 0.00 0.00 57.85 54.48 3dga n ARG 416 Cb 0.33 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.16 3dga n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3dga n LYS 417 N 0.68 -0.55 -2.03 5.56 4.76 -0.51 -4.93 118.16 121.14 3dga n LYS 417 Ca 0.17 0.48 -0.38 0.00 -2.87 0.00 0.00 58.31 55.71 3dga n LYS 417 Cb 0.44 -4.13 -0.01 0.00 -1.84 0.00 0.00 35.03 29.49 3dga n LYS 417 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3dga n LEU 418 N -0.42 7.69 0.23 -0.35 4.77 0.02 -4.72 117.00 124.21 3dga n LEU 418 Ca -0.04 -4.86 0.13 0.00 -0.03 0.00 0.00 56.01 51.21 3dga n LEU 418 Cb 0.19 -1.30 0.75 0.00 -2.33 0.00 0.00 43.42 40.73 3dga n LEU 418 CO 0.06 2.00 1.11 -0.26 -1.33 0.00 0.00 177.39 178.97 3dga h PHE 419 N 4.24 0.00 -0.62 -1.77 0.04 -1.87 -1.51 116.94 115.45 3dga h PHE 419 Ca 0.63 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.40 3dga h PHE 419 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 3dga h PHE 419 CO 1.52 0.00 0.00 0.72 -0.60 0.00 0.00 178.31 179.95 3dga n HIS 420 N -4.23 1.10 -3.55 -0.55 8.25 -1.26 -4.90 115.22 110.08 3dga n HIS 420 Ca -0.01 -0.48 -0.37 0.00 -0.26 0.00 0.00 57.72 56.60 3dga n HIS 420 Cb 0.18 -0.11 -0.08 0.00 1.12 0.00 0.00 29.99 31.10 3dga n HIS 420 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3dga s ARG 421 N -1.47 4.17 0.50 -0.41 6.06 -0.57 -5.07 118.95 122.17 3dga s ARG 421 Ca 0.45 -0.02 -0.22 0.00 -2.50 0.00 0.00 55.73 53.43 3dga s ARG 421 Cb 0.26 -3.50 -0.06 0.00 0.06 0.00 0.00 34.95 31.71 3dga s ARG 421 CO 0.26 0.10 1.25 -2.00 -2.50 0.00 0.00 175.30 172.41 3dga s GLU 422 N 0.90 3.45 0.15 5.12 2.12 -1.26 -4.91 118.70 124.27 3dga s GLU 422 Ca 0.14 1.98 -0.34 0.00 0.36 0.00 0.00 54.97 57.10 3dga s GLU 422 Cb -0.13 -2.32 -0.14 0.00 0.26 0.00 0.00 34.13 31.79 3dga s GLU 422 CO 0.05 -0.86 1.56 0.28 -0.54 0.00 0.00 175.26 175.75 3dga n VAL 423 N -0.77 0.02 -0.99 3.70 0.31 -1.26 -1.27 118.33 118.06 3dga n VAL 423 Ca 0.09 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3dga n VAL 423 Cb 0.47 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3dga n VAL 423 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3dga n ASN 424 N 3.42 -1.32 -4.43 4.52 5.03 0.45 -4.96 115.26 117.96 3dga n ASN 424 Ca 0.17 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.18 3dga n ASN 424 Cb 0.28 -0.33 -0.03 0.00 -1.02 0.00 0.00 39.78 38.68 3dga n ASN 424 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3dga s ASP 425 N -2.55 6.55 0.65 6.41 -1.08 -0.40 -1.13 116.67 125.12 3dga s ASP 425 Ca 0.00 -1.94 0.42 0.00 -0.52 0.00 0.00 52.55 50.51 3dga s ASP 425 Cb 0.00 -2.37 2.30 0.00 -1.46 0.00 0.00 42.92 41.40 3dga s ASP 425 CO 0.00 -1.05 2.35 -0.07 0.52 0.00 0.00 175.17 176.91 3dga h LEU 426 N 10.16 0.00 0.00 -1.34 3.38 -1.69 -3.45 115.31 122.37 3dga h LEU 426 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dga h LEU 426 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3dga h LEU 426 CO 1.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.21 3dga n GLY 427 N -1.09 -2.11 2.76 0.83 0.00 -1.26 -0.89 105.19 103.42 3dga n GLY 427 Ca -0.03 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 3dga n GLY 427 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dga n PRO 428 N -0.05 1.92 -2.13 1.61 -0.04 -1.26 -4.82 135.00 130.23 3dga n PRO 428 Ca 0.00 -1.59 -0.18 0.00 -0.04 0.00 0.00 63.50 61.68 3dga n PRO 428 Cb 0.00 -2.61 0.10 0.00 -0.04 0.00 0.00 33.50 30.95 3dga n PRO 428 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3dga n ILE 429 N 4.77 0.00 0.00 0.52 -5.35 -1.26 -4.59 119.36 113.45 3dga n ILE 429 Ca 0.46 -1.22 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 3dga n ILE 429 Cb 0.22 -1.02 0.00 0.00 -1.74 0.00 0.00 39.64 37.10 3dga n ILE 429 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3dga n TYR 430 N -2.58 0.00 -0.20 4.28 4.01 -1.26 -0.08 117.16 121.33 3dga n TYR 430 Ca 0.13 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.86 3dga n TYR 430 Cb 0.46 -0.04 0.05 0.00 -0.31 0.00 0.00 39.34 39.51 3dga n TYR 430 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3dga h GLY 431 N 0.00 0.41 0.97 2.72 0.00 -1.76 0.13 103.07 105.54 3dga h GLY 431 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 3dga h GLY 431 CO 0.00 -0.23 0.22 -2.75 0.00 0.00 0.00 176.54 173.79 3dga h PHE 432 N -0.01 0.61 -0.38 5.60 3.57 -0.59 -2.57 116.94 123.17 3dga h PHE 432 Ca 0.29 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.67 3dga h PHE 432 Cb 0.44 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3dga h PHE 432 CO -0.50 0.48 -0.17 1.96 -2.23 0.00 0.00 178.31 177.86 3dga h GLN 433 N 0.56 0.72 -0.43 1.11 1.08 -0.84 0.96 115.11 118.27 3dga h GLN 433 Ca 0.15 -0.26 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 3dga h GLN 433 Cb 0.09 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3dga h GLN 433 CO -0.02 0.84 0.02 -1.49 -0.95 0.00 0.00 178.83 177.23 3dga h TRP 434 N 0.64 0.72 0.00 2.96 4.06 -0.59 -2.88 115.95 120.86 3dga h TRP 434 Ca 0.10 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3dga h TRP 434 Cb 0.64 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 3dga h TRP 434 CO 0.03 0.67 -1.39 0.54 -3.56 0.00 0.00 178.44 174.73 3dga n ARG 435 N -4.25 0.77 -1.11 0.49 5.12 -0.99 -1.58 116.66 115.11 3dga n ARG 435 Ca 0.02 -0.09 0.03 0.00 -1.93 0.00 0.00 57.85 55.88 3dga n ARG 435 Cb 0.27 -1.24 0.02 0.00 -1.16 0.00 0.00 32.46 30.34 3dga n ARG 435 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3dga n HIS 436 N -1.82 0.00 -1.62 -1.55 8.25 0.33 -3.34 115.22 115.47 3dga n HIS 436 Ca -0.02 -0.34 -0.54 0.00 -0.26 0.00 0.00 57.72 56.56 3dga n HIS 436 Cb 0.29 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 3dga n HIS 436 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dga n PHE 437 N 0.27 1.66 0.00 4.41 -0.00 -0.85 -1.35 117.46 121.59 3dga n PHE 437 Ca 0.04 0.61 0.00 0.00 -0.00 0.00 0.00 57.45 58.10 3dga n PHE 437 Cb 0.97 -2.37 0.00 0.00 -0.00 0.00 0.00 39.48 38.09 3dga n PHE 437 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dga n GLY 438 N 2.98 2.14 3.78 7.13 0.00 -1.26 0.19 105.19 120.14 3dga n GLY 438 Ca 0.21 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3dga n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dga s ALA 439 N -2.30 2.88 -0.14 4.61 0.00 -0.46 -4.85 121.76 121.50 3dga s ALA 439 Ca 0.00 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 3dga s ALA 439 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3dga s ALA 439 CO 0.00 -0.61 1.18 -2.00 0.00 0.00 0.00 175.76 174.33 3dga s GLU 440 N -2.92 4.29 0.08 0.00 2.56 -1.26 -4.97 118.70 116.48 3dga s GLU 440 Ca 0.66 1.58 -0.30 0.00 0.00 0.00 0.00 54.97 56.91 3dga s GLU 440 Cb -0.25 -3.66 -0.06 0.00 2.00 0.00 0.00 34.13 32.16 3dga s GLU 440 CO 0.30 -0.58 1.11 -0.47 -0.56 0.00 0.00 175.26 175.06 3dga s TYR 441 N 2.95 3.54 0.00 5.30 5.04 -1.26 -4.96 117.35 127.96 3dga s TYR 441 Ca 0.52 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.64 3dga s TYR 441 Cb -0.21 -3.30 0.00 0.00 0.35 0.00 0.00 41.96 38.80 3dga s TYR 441 CO 0.15 -0.76 0.00 0.25 -1.34 0.00 0.00 175.55 173.86 3dga n THR 442 N 3.46 0.00 -4.04 4.34 -2.24 -1.26 -5.08 114.28 109.47 3dga n THR 442 Ca 0.06 0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 3dga n THR 442 Cb 0.47 -0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 3dga n THR 442 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dga s ASN 443 N -0.54 -0.03 0.00 3.42 2.20 -1.26 -5.05 114.94 113.68 3dga s ASN 443 Ca 0.00 -1.02 0.11 0.00 -0.94 0.00 0.00 52.86 51.00 3dga s ASN 443 Cb 0.00 0.53 0.63 0.00 -2.00 0.00 0.00 41.25 40.41 3dga s ASN 443 CO 0.00 -1.06 1.06 1.15 -2.94 0.00 0.00 177.10 175.31 3dga n MET 444 N -0.35 0.36 -0.00 3.55 0.00 -1.26 -2.37 117.12 117.05 3dga n MET 444 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.73 3dga n MET 444 Cb 0.63 -1.45 -0.06 0.00 0.00 0.00 0.00 33.22 32.34 3dga n MET 444 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3dga n TYR 445 N -0.95 0.00 -0.63 3.17 4.01 -1.26 -4.66 117.16 116.84 3dga n TYR 445 Ca 0.08 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.51 3dga n TYR 445 Cb 0.04 -0.05 0.19 0.00 -0.31 0.00 0.00 39.34 39.21 3dga n TYR 445 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3dga n ASP 446 N -1.36 -0.33 -4.22 7.72 -0.08 -1.00 -4.97 116.55 112.31 3dga n ASP 446 Ca 0.01 0.26 -0.39 0.00 -1.51 0.00 0.00 54.79 53.16 3dga n ASP 446 Cb 0.16 -1.41 -0.10 0.00 2.34 0.00 0.00 41.12 42.11 3dga n ASP 446 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 3dga s ASN 447 N -2.54 5.52 -0.17 1.67 3.84 -1.26 -4.96 114.94 117.04 3dga s ASN 447 Ca 0.67 -1.68 0.08 0.00 0.21 0.00 0.00 52.86 52.14 3dga s ASN 447 Cb -0.23 -1.94 0.52 0.00 -0.55 0.00 0.00 41.25 39.05 3dga s ASN 447 CO 0.60 -0.55 1.34 -1.22 -2.79 0.00 0.00 177.10 174.48 3dga n TYR 448 N 4.83 1.41 -1.64 0.43 4.01 -1.26 -4.99 117.16 119.95 3dga n TYR 448 Ca -0.08 -0.55 -0.46 0.00 -0.16 0.00 0.00 57.90 56.64 3dga n TYR 448 Cb 0.42 -0.40 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 3dga n TYR 448 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3dga n GLU 449 N 0.31 1.76 -3.82 -0.72 -0.58 -1.26 -1.92 120.64 114.41 3dga n GLU 449 Ca 0.20 0.63 -0.30 0.00 -0.42 0.00 0.00 57.16 57.27 3dga n GLU 449 Cb 0.90 -2.24 0.02 0.00 -0.57 0.00 0.00 31.44 29.55 3dga n GLU 449 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3dga n ASN 450 N 2.20 -4.57 -3.98 1.62 4.13 -1.26 -4.97 115.26 108.44 3dga n ASN 450 Ca 0.13 -0.72 -0.20 0.00 1.68 0.00 0.00 54.58 55.47 3dga n ASN 450 Cb 0.29 -3.67 -0.16 0.00 -1.54 0.00 0.00 39.78 34.70 3dga n ASN 450 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3dga s LYS 451 N -6.52 0.98 0.02 3.52 -0.14 -0.81 -5.07 119.74 111.71 3dga s LYS 451 Ca 0.62 -0.27 0.00 0.00 -1.36 0.00 0.00 55.97 54.97 3dga s LYS 451 Cb -0.32 -0.91 0.00 0.00 -1.68 0.00 0.00 37.83 34.93 3dga s LYS 451 CO 0.76 0.06 0.00 0.41 -0.76 0.00 0.00 175.35 175.83 3dga n GLY 452 N 3.49 -1.72 3.68 -3.33 0.00 -1.26 -4.42 105.19 101.64 3dga n GLY 452 Ca -0.20 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 3dga n GLY 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dga s VAL 453 N -1.68 5.10 -1.13 1.61 1.01 0.50 -4.73 120.40 121.07 3dga s VAL 453 Ca 0.00 1.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.90 3dga s VAL 453 Cb 0.00 -3.88 0.16 0.00 0.00 0.00 0.00 36.38 32.66 3dga s VAL 453 CO 0.00 0.21 1.35 -0.62 0.00 0.00 0.00 175.10 176.04 3dga s ASP 454 N 0.97 6.96 0.16 3.32 -1.08 -1.21 -2.00 116.67 123.79 3dga s ASP 454 Ca 0.27 -2.75 -0.16 0.00 -0.52 0.00 0.00 52.55 49.39 3dga s ASP 454 Cb -0.16 -2.40 0.10 0.00 -1.46 0.00 0.00 42.92 39.00 3dga s ASP 454 CO 0.11 -0.82 1.73 1.56 0.52 0.00 0.00 175.17 178.26 3dga h GLN 455 N 7.59 0.20 -0.09 4.34 4.20 -1.55 -2.19 115.11 127.62 3dga h GLN 455 Ca 0.27 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.01 3dga h GLN 455 Cb 0.91 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.59 3dga h GLN 455 CO 1.21 0.13 -0.35 1.25 -0.67 0.00 0.00 178.83 180.40 3dga h LEU 456 N 0.21 -1.08 -0.71 1.46 5.85 -1.74 0.21 115.31 119.51 3dga h LEU 456 Ca 0.19 0.15 0.14 0.00 0.84 0.00 0.00 57.88 59.19 3dga h LEU 456 Cb 0.22 0.44 -0.09 0.00 0.37 0.00 0.00 40.66 41.60 3dga h LEU 456 CO -0.24 -0.39 0.24 0.50 -0.34 0.00 0.00 178.44 178.21 3dga h LYS 457 N -0.45 0.36 -0.31 1.25 1.63 -1.80 -1.60 116.57 115.65 3dga h LYS 457 Ca 0.08 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3dga h LYS 457 Cb 0.58 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 3dga h LYS 457 CO -0.34 0.24 0.16 -0.91 -3.45 0.00 0.00 179.45 175.15 3dga h ASN 458 N 0.37 0.39 0.24 4.20 4.21 -0.41 -2.45 115.58 122.12 3dga h ASN 458 Ca 0.39 -0.10 -0.12 0.00 1.21 0.00 0.00 56.30 57.67 3dga h ASN 458 Cb 0.59 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 3dga h ASN 458 CO -0.42 0.37 -0.47 0.16 -1.29 0.00 0.00 177.43 175.78 3dga h ILE 459 N 0.37 1.33 -0.43 2.81 3.07 -0.07 -0.99 117.51 123.60 3dga h ILE 459 Ca 0.11 -1.68 -0.07 0.00 1.55 0.00 0.00 64.86 64.77 3dga h ILE 459 Cb 0.08 1.77 -0.02 0.00 -0.27 0.00 0.00 36.82 38.38 3dga h ILE 459 CO -0.02 0.50 -0.01 0.40 -1.05 0.00 0.00 178.15 177.98 3dga h ILE 460 N 0.23 1.23 -0.32 0.16 2.04 -1.20 -1.18 117.51 118.47 3dga h ILE 460 Ca 0.01 -0.94 -0.17 0.00 1.00 0.00 0.00 64.86 64.76 3dga h ILE 460 Cb 0.93 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3dga h ILE 460 CO 0.08 0.33 -0.47 0.78 0.00 0.00 0.00 178.15 178.86 3dga h ASN 461 N 0.65 0.97 -0.56 1.72 2.35 -0.99 -2.17 115.58 117.55 3dga h ASN 461 Ca 0.13 -0.51 -0.03 0.00 -0.55 0.00 0.00 56.30 55.34 3dga h ASN 461 Cb 0.42 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3dga h ASN 461 CO 0.02 1.29 0.23 -0.07 -1.65 0.00 0.00 177.43 177.25 3dga h LEU 462 N 0.68 0.77 -0.77 1.61 3.38 -0.80 0.36 115.31 120.54 3dga h LEU 462 Ca 0.03 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3dga h LEU 462 Cb 1.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3dga h LEU 462 CO 0.11 0.72 -0.06 0.40 0.09 0.00 0.00 178.44 179.70 3dga h ILE 463 N 0.77 1.26 -0.10 1.22 2.04 -1.23 0.64 117.51 122.10 3dga h ILE 463 Ca 0.19 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 3dga h ILE 463 Cb 0.19 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3dga h ILE 463 CO -0.02 0.40 -0.18 0.11 0.00 0.00 0.00 178.15 178.46 3dga h LYS 464 N 0.79 0.30 0.00 2.37 1.57 -1.03 -3.32 116.57 117.25 3dga h LYS 464 Ca 0.14 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3dga h LYS 464 Cb 0.56 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3dga h LYS 464 CO 0.03 0.77 -1.77 0.09 -0.57 0.00 0.00 179.45 178.01 3dga n ASN 465 N -4.55 1.19 -3.09 0.86 3.02 0.12 -4.73 115.26 108.08 3dga n ASN 465 Ca -0.07 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.30 3dga n ASN 465 Cb 0.40 1.74 -0.02 0.00 -0.61 0.00 0.00 39.78 41.29 3dga n ASN 465 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3dga n ASP 466 N -2.09 1.25 0.27 6.41 -0.08 0.22 -4.98 116.55 117.55 3dga n ASP 466 Ca -0.04 -3.03 0.13 0.00 -1.51 0.00 0.00 54.79 50.34 3dga n ASP 466 Cb 0.45 -0.60 0.68 0.00 2.34 0.00 0.00 41.12 43.98 3dga n ASP 466 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3dga h PRO 467 N 2.99 0.00 -0.02 -0.67 0.13 -1.53 -0.75 132.00 132.16 3dga h PRO 467 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3dga h PRO 467 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3dga h PRO 467 CO 0.53 0.00 -0.22 0.25 -0.23 0.00 0.00 178.00 178.33 3dga n THR 468 N -2.60 0.00 -1.72 1.56 -2.24 -1.26 -3.92 114.28 104.09 3dga n THR 468 Ca -0.02 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 3dga n THR 468 Cb 0.34 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 3dga n THR 468 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3dga n SER 469 N 0.03 3.18 -1.73 3.42 2.88 -0.29 -4.88 113.62 116.23 3dga n SER 469 Ca 0.13 1.19 -0.15 0.00 -1.33 0.00 0.00 58.87 58.71 3dga n SER 469 Cb 0.42 -1.53 0.18 0.00 -0.75 0.00 0.00 64.21 62.54 3dga n SER 469 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3dga n ARG 470 N 1.00 2.11 -0.71 -1.46 1.74 -1.26 -4.32 116.66 113.77 3dga n ARG 470 Ca 0.05 -3.15 0.05 0.00 -0.77 0.00 0.00 57.85 54.03 3dga n ARG 470 Cb 0.36 -2.02 0.09 0.00 -1.02 0.00 0.00 32.46 29.87 3dga n ARG 470 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dga n ARG 471 N -1.11 0.67 -3.02 5.56 1.74 -1.26 -4.97 116.66 114.26 3dga n ARG 471 Ca 0.47 -2.18 -0.44 0.00 -0.77 0.00 0.00 57.85 54.92 3dga n ARG 471 Cb 1.29 -0.85 -0.01 0.00 -1.02 0.00 0.00 32.46 31.87 3dga n ARG 471 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dga s ILE 472 N -1.42 5.10 0.11 0.55 1.01 -1.26 -4.98 121.20 120.31 3dga s ILE 472 Ca 0.26 -2.37 0.08 0.00 0.00 0.00 0.00 60.65 58.62 3dga s ILE 472 Cb 0.26 -4.79 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 3dga s ILE 472 CO -0.06 -1.48 -0.20 -0.76 0.00 0.00 0.00 174.94 172.44 3dga s LEU 473 N 1.48 2.31 -0.11 2.97 1.02 -1.26 -1.03 118.68 124.07 3dga s LEU 473 Ca 0.36 -0.70 0.04 0.00 0.02 0.00 0.00 54.13 53.84 3dga s LEU 473 Cb -0.05 -0.85 0.00 0.00 0.02 0.00 0.00 46.19 45.31 3dga s LEU 473 CO -0.05 0.04 -0.23 -0.22 0.02 0.00 0.00 176.35 175.91 3dga s LEU 474 N -1.98 2.08 -0.06 1.79 2.96 -0.11 -4.89 118.68 118.48 3dga s LEU 474 Ca 0.07 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3dga s LEU 474 Cb -0.10 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.20 3dga s LEU 474 CO 0.04 0.14 -0.13 0.00 -1.32 0.00 0.00 176.35 175.08 3dga n ALA 476 N 3.76 3.08 -1.71 0.00 0.00 -0.50 -4.70 120.51 120.44 3dga n ALA 476 Ca -0.22 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.39 3dga n ALA 476 Cb 0.52 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 19.37 3dga n ALA 476 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3dga n TRP 477 N -1.86 3.15 -2.60 0.00 -0.00 -1.24 -4.81 117.44 110.08 3dga n TRP 477 Ca -0.01 -2.50 -0.41 0.00 -0.00 0.00 0.00 57.50 54.57 3dga n TRP 477 Cb 0.38 -2.33 -0.03 0.00 -0.00 0.00 0.00 31.31 29.33 3dga n TRP 477 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3dga s ASN 478 N 4.12 6.20 0.33 5.87 3.84 -1.26 -4.88 114.94 129.16 3dga s ASN 478 Ca 0.53 -0.44 0.10 0.00 0.21 0.00 0.00 52.86 53.26 3dga s ASN 478 Cb 0.12 -2.54 0.88 0.00 -0.55 0.00 0.00 41.25 39.15 3dga s ASN 478 CO 0.01 -1.73 1.75 0.58 -2.79 0.00 0.00 177.10 174.93 3dga h VAL 479 N 6.04 0.59 -0.43 -5.21 2.07 -2.02 -1.89 116.25 115.40 3dga h VAL 479 Ca -0.28 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 66.93 3dga h VAL 479 Cb 1.05 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3dga h VAL 479 CO 1.25 0.11 -0.14 0.50 0.02 0.00 0.00 177.57 179.31 3dga h LYS 480 N 0.61 0.80 -0.02 1.57 3.64 -2.01 -3.23 116.57 117.93 3dga h LYS 480 Ca 0.62 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3dga h LYS 480 Cb 1.16 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3dga h LYS 480 CO -0.42 0.90 -0.09 -0.25 -2.27 0.00 0.00 179.45 177.32 3dga n ASP 481 N -4.15 1.92 -0.28 4.20 8.00 -0.75 -4.61 116.55 120.88 3dga n ASP 481 Ca 0.01 -1.55 -0.11 0.00 0.71 0.00 0.00 54.79 53.85 3dga n ASP 481 Cb 0.39 0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 3dga n ASP 481 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3dga h LEU 482 N 2.87 -1.92 -1.67 0.64 3.38 -1.47 0.86 115.31 118.00 3dga h LEU 482 Ca 0.00 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3dga h LEU 482 Cb 0.67 0.83 0.00 0.00 0.09 0.00 0.00 40.66 42.26 3dga h LEU 482 CO 0.00 -0.32 0.00 0.44 0.09 0.00 0.00 178.44 178.65 3dga h ASP 483 N -0.19 0.00 1.10 -0.43 3.32 -1.85 -1.34 116.42 117.03 3dga h ASP 483 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3dga h ASP 483 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3dga h ASP 483 CO -0.77 0.00 -0.45 1.56 -1.72 0.00 0.00 179.24 177.85 3dga h GLN 484 N 0.00 0.00 -7.03 3.56 4.20 -1.15 -3.46 115.11 111.23 3dga h GLN 484 Ca 0.00 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.26 3dga h GLN 484 Cb 0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3dga h GLN 484 CO 0.00 0.00 0.34 -1.64 -0.67 0.00 0.00 178.83 176.86 3dga s MET 485 N -3.17 4.29 0.32 1.46 -1.94 -0.51 -4.37 119.30 115.39 3dga s MET 485 Ca 0.07 1.17 0.10 0.00 -1.71 0.00 0.00 55.69 55.32 3dga s MET 485 Cb 0.12 -2.30 0.91 0.00 2.01 0.00 0.00 34.83 35.57 3dga s MET 485 CO 0.69 0.02 1.73 0.00 -0.01 0.00 0.00 175.02 177.45 3dga h ALA 486 N 2.16 1.82 -1.66 3.03 0.00 -1.32 -3.42 119.26 119.87 3dga h ALA 486 Ca -0.49 0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3dga h ALA 486 Cb 1.18 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.77 3dga h ALA 486 CO 0.62 -0.30 0.47 -0.48 0.00 0.00 0.00 179.25 179.56 3dga s LEU 487 N -10.31 -0.43 0.65 0.00 2.34 -1.26 -4.95 118.68 104.72 3dga s LEU 487 Ca -0.11 0.46 -0.18 0.00 0.06 0.00 0.00 54.13 54.37 3dga s LEU 487 Cb 0.27 2.00 -0.01 0.00 -0.56 0.00 0.00 46.19 47.89 3dga s LEU 487 CO 0.80 -0.40 1.18 -2.65 -1.06 0.00 0.00 176.35 174.22 3dga n PRO 488 N 0.75 0.96 -2.34 1.48 -0.02 -1.26 -4.96 135.00 129.61 3dga n PRO 488 Ca -0.12 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.37 3dga n PRO 488 Cb 0.58 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3dga n PRO 488 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dga s PRO 489 N -3.26 3.88 0.11 0.52 0.04 -1.26 -4.95 135.00 130.08 3dga s PRO 489 Ca 0.80 1.69 0.18 0.00 0.04 0.00 0.00 61.00 63.71 3dga s PRO 489 Cb -0.38 -2.45 -0.09 0.00 0.04 0.00 0.00 34.50 31.62 3dga s PRO 489 CO 0.43 -0.43 0.93 0.00 0.04 0.00 0.00 177.00 177.97 3dga s HIS 491 N -3.00 3.45 0.04 0.00 3.76 -1.26 -0.96 115.29 117.32 3dga s HIS 491 Ca -0.02 -1.57 -0.28 0.00 -0.15 0.00 0.00 55.06 53.05 3dga s HIS 491 Cb 0.09 -3.83 -0.17 0.00 1.11 0.00 0.00 32.58 29.78 3dga s HIS 491 CO 0.80 -1.03 1.45 0.82 -0.85 0.00 0.00 174.74 175.92 3dga h ILE 492 N 5.43 0.54 -3.38 0.60 1.08 -1.23 -3.41 117.51 117.15 3dga h ILE 492 Ca -0.12 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 3dga h ILE 492 Cb 1.07 0.67 -0.09 0.00 -3.07 0.00 0.00 36.82 35.40 3dga h ILE 492 CO 0.93 0.05 0.00 -1.48 -0.69 0.00 0.00 178.15 176.96 3dga s LEU 493 N -9.81 0.13 0.01 1.44 0.05 -1.23 -1.41 118.68 107.85 3dga s LEU 493 Ca -0.15 -0.63 0.05 0.00 0.05 0.00 0.00 54.13 53.44 3dga s LEU 493 Cb 0.03 2.09 -0.01 0.00 -2.05 0.00 0.00 46.19 46.24 3dga s LEU 493 CO 0.58 -1.11 -0.15 0.00 -0.55 0.00 0.00 176.35 175.12 3dga s GLN 495 N -0.60 0.89 0.27 0.00 0.74 0.12 -0.93 119.66 120.14 3dga s GLN 495 Ca 0.05 -0.34 0.07 0.00 0.05 0.00 0.00 55.36 55.19 3dga s GLN 495 Cb -0.06 -0.84 -0.03 0.00 1.10 0.00 0.00 33.01 33.17 3dga s GLN 495 CO 0.00 0.18 0.20 -0.06 -0.55 0.00 0.00 175.29 175.06 3dga s PHE 496 N -0.07 3.05 -0.06 1.67 0.08 -0.20 -1.29 117.98 121.18 3dga s PHE 496 Ca 0.01 -0.15 -0.03 0.00 0.12 0.00 0.00 56.93 56.89 3dga s PHE 496 Cb -0.06 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 3dga s PHE 496 CO -0.00 0.48 0.13 -0.47 -0.10 0.00 0.00 175.22 175.25 3dga s TYR 497 N -2.17 -0.14 -0.10 0.36 5.04 -0.32 -4.72 117.35 115.30 3dga s TYR 497 Ca 0.34 0.42 0.02 0.00 -2.44 0.00 0.00 57.07 55.41 3dga s TYR 497 Cb -0.07 -0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.17 3dga s TYR 497 CO 0.25 -0.14 -0.18 0.08 -1.34 0.00 0.00 175.55 174.22 3dga s VAL 498 N 0.97 1.63 -0.20 3.14 1.01 -1.25 -0.34 120.40 125.36 3dga s VAL 498 Ca -0.08 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 3dga s VAL 498 Cb -0.10 -1.46 0.07 0.00 0.00 0.00 0.00 36.38 34.89 3dga s VAL 498 CO -0.05 0.47 0.47 0.12 0.00 0.00 0.00 175.10 176.11 3dga s PHE 499 N 0.74 -0.72 -1.48 5.22 5.36 -0.42 -4.75 117.98 121.93 3dga s PHE 499 Ca -0.11 1.49 -0.11 0.00 -0.96 0.00 0.00 56.93 57.23 3dga s PHE 499 Cb -0.16 0.35 0.07 0.00 -0.34 0.00 0.00 43.02 42.94 3dga s PHE 499 CO 0.02 -0.39 0.96 -3.47 -1.46 0.00 0.00 175.22 170.88 3dga n ASP 500 N 4.33 -4.37 -0.69 6.13 2.03 -1.26 -1.32 116.55 121.40 3dga n ASP 500 Ca -0.22 -0.76 -0.09 0.00 0.52 0.00 0.00 54.79 54.24 3dga n ASP 500 Cb 0.56 -4.01 -0.04 0.00 -0.72 0.00 0.00 41.12 36.90 3dga n ASP 500 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dga n GLY 501 N -1.70 1.07 3.10 0.27 0.00 -1.26 -5.00 105.19 101.66 3dga n GLY 501 Ca -0.02 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 3dga n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dga s LYS 502 N -2.72 2.10 -0.17 1.61 1.02 -0.44 -1.33 119.74 119.81 3dga s LYS 502 Ca 0.00 -0.57 -0.10 0.00 0.02 0.00 0.00 55.97 55.31 3dga s LYS 502 Cb 0.00 -1.68 -0.05 0.00 -0.52 0.00 0.00 37.83 35.58 3dga s LYS 502 CO 0.00 0.10 0.16 -1.17 -0.92 0.00 0.00 175.35 173.53 3dga s LEU 503 N 0.48 4.25 0.13 3.17 2.96 -0.05 -1.31 118.68 128.32 3dga s LEU 503 Ca -0.14 0.34 0.10 0.00 -0.22 0.00 0.00 54.13 54.20 3dga s LEU 503 Cb -0.16 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 3dga s LEU 503 CO 0.05 0.21 -0.25 -0.44 -1.32 0.00 0.00 176.35 174.61 3dga s SER 504 N 0.09 3.09 -0.01 3.68 0.01 0.53 -0.44 113.70 120.64 3dga s SER 504 Ca 0.11 -0.75 0.03 0.00 1.31 0.00 0.00 55.95 56.64 3dga s SER 504 Cb -0.12 -0.20 -0.00 0.00 0.21 0.00 0.00 66.02 65.91 3dga s SER 504 CO 0.00 0.13 -0.08 0.00 0.41 0.00 0.00 173.24 173.70 3dga s ILE 506 N -0.05 2.17 -0.11 0.00 1.01 -0.41 0.14 121.20 123.95 3dga s ILE 506 Ca 0.01 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3dga s ILE 506 Cb -0.05 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.56 3dga s ILE 506 CO -0.00 0.55 -0.22 -0.32 0.00 0.00 0.00 174.94 174.94 3dga s MET 507 N 0.71 2.92 -0.25 2.79 1.75 0.02 -0.70 119.30 126.53 3dga s MET 507 Ca -0.09 -0.83 -0.13 0.00 -1.25 0.00 0.00 55.69 53.39 3dga s MET 507 Cb -0.16 -2.26 -0.04 0.00 2.84 0.00 0.00 34.83 35.21 3dga s MET 507 CO 0.01 0.11 0.27 -0.47 -0.65 0.00 0.00 175.02 174.29 3dga s TYR 508 N 0.51 3.28 -0.22 4.11 6.14 -0.21 -1.34 117.35 129.62 3dga s TYR 508 Ca -0.15 0.33 -0.04 0.00 0.64 0.00 0.00 57.07 57.84 3dga s TYR 508 Cb -0.17 -2.43 -0.01 0.00 0.42 0.00 0.00 41.96 39.77 3dga s TYR 508 CO 0.06 -0.09 -0.04 -1.14 0.64 0.00 0.00 175.55 174.98 3dga s GLN 509 N 1.57 3.41 0.05 4.97 0.74 -0.14 -0.83 119.66 129.44 3dga s GLN 509 Ca 0.12 -0.61 -0.16 0.00 0.05 0.00 0.00 55.36 54.75 3dga s GLN 509 Cb -0.15 -3.02 -0.21 0.00 1.10 0.00 0.00 33.01 30.72 3dga s GLN 509 CO 0.08 -0.18 1.18 0.07 -0.55 0.00 0.00 175.29 175.90 3dga h ARG 510 N 8.05 0.60 -4.80 1.67 0.11 -1.35 0.21 114.38 118.87 3dga h ARG 510 Ca -0.41 -0.59 -0.60 0.00 0.10 0.00 0.00 59.98 58.48 3dga h ARG 510 Cb 1.16 0.16 -0.35 0.00 1.11 0.00 0.00 29.97 32.05 3dga h ARG 510 CO 0.60 1.21 -0.84 0.45 0.10 0.00 0.00 179.97 181.49 3dga s SER 511 N -7.00 2.55 -0.12 0.08 0.15 -1.26 -0.53 113.70 107.57 3dga s SER 511 Ca -0.11 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.08 3dga s SER 511 Cb 0.06 -1.14 0.02 0.00 -1.71 0.00 0.00 66.02 63.25 3dga s SER 511 CO 0.87 0.02 -0.10 0.00 1.20 0.00 0.00 173.24 175.24 3dga s ASP 513 N 1.57 6.92 0.38 0.00 2.15 -1.26 -1.18 116.67 125.25 3dga s ASP 513 Ca 0.03 -2.83 0.18 0.00 0.43 0.00 0.00 52.55 50.37 3dga s ASP 513 Cb -0.13 -2.28 1.13 0.00 -0.30 0.00 0.00 42.92 41.34 3dga s ASP 513 CO -0.08 -0.63 1.72 -0.07 -0.17 0.00 0.00 175.17 175.95 3dga h LEU 514 N 8.31 0.46 -0.08 -1.34 -0.00 -1.79 0.71 115.31 121.58 3dga h LEU 514 Ca 0.16 0.12 -0.05 0.00 -0.00 0.00 0.00 57.88 58.11 3dga h LEU 514 Cb 0.97 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 3dga h LEU 514 CO 0.96 0.01 -0.15 1.23 -0.00 0.00 0.00 178.44 180.48 3dga h GLY 515 N 0.36 0.27 0.00 0.83 0.00 -1.91 -3.41 103.07 99.20 3dga h GLY 515 Ca 0.67 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 47.52 3dga h GLY 515 CO -0.40 0.28 -1.58 1.04 0.00 0.00 0.00 176.54 175.89 3dga n LEU 516 N -4.60 2.19 0.12 3.11 4.77 -1.00 -4.85 117.00 116.75 3dga n LEU 516 Ca -0.07 0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 55.86 3dga n LEU 516 Cb 0.38 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3dga n LEU 516 CO 0.38 0.51 0.24 1.23 -1.33 0.00 0.00 177.39 178.43 3dga h GLY 517 N 0.36 -0.36 -0.94 -0.72 0.00 -1.15 -3.38 103.07 96.87 3dga h GLY 517 Ca -0.24 0.14 0.26 0.00 0.00 0.00 0.00 47.33 47.49 3dga h GLY 517 CO -0.08 -0.13 0.01 -2.08 0.00 0.00 0.00 176.54 174.26 3dga h VAL 518 N -0.64 0.03 -0.77 4.60 2.07 -1.61 0.58 116.25 120.52 3dga h VAL 518 Ca -0.04 -0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.62 3dga h VAL 518 Cb 0.27 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 29.96 3dga h VAL 518 CO 0.06 0.00 0.33 -0.65 0.02 0.00 0.00 177.57 177.33 3dga h PRO 519 N 0.01 0.46 -0.05 1.57 0.11 -1.79 0.22 132.00 132.53 3dga h PRO 519 Ca 0.59 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 66.48 3dga h PRO 519 Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3dga h PRO 519 CO -0.92 0.31 -0.77 0.74 -0.21 0.00 0.00 178.00 177.14 3dga h PHE 520 N 0.48 0.50 -0.45 0.65 0.04 -1.10 -2.94 116.94 114.12 3dga h PHE 520 Ca 0.42 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 3dga h PHE 520 Cb 0.63 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 3dga h PHE 520 CO -0.15 1.00 0.21 -0.91 -0.60 0.00 0.00 178.31 177.86 3dga h ASN 521 N 0.24 0.60 -0.01 2.17 -0.26 -0.44 0.30 115.58 118.17 3dga h ASN 521 Ca -0.04 -0.14 0.02 0.00 -0.56 0.00 0.00 56.30 55.59 3dga h ASN 521 Cb 1.36 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 38.44 3dga h ASN 521 CO 0.13 0.57 -0.13 0.40 -1.06 0.00 0.00 177.43 177.33 3dga h ILE 522 N 0.58 0.67 -0.02 2.81 2.04 -1.00 -2.27 117.51 120.33 3dga h ILE 522 Ca 0.15 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.02 3dga h ILE 522 Cb 0.14 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3dga h ILE 522 CO -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 178.11 3dga h ALA 523 N 0.74 -0.01 -0.39 1.87 0.00 -1.30 -2.06 119.26 118.11 3dga h ALA 523 Ca 0.05 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3dga h ALA 523 Cb 0.28 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 3dga h ALA 523 CO -0.14 -0.51 -0.29 1.03 0.00 0.00 0.00 179.25 179.34 3dga h SER 524 N -0.03 -0.97 1.05 0.00 0.87 -0.18 -0.57 113.55 113.71 3dga h SER 524 Ca 0.02 0.18 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 3dga h SER 524 Cb 0.05 0.47 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3dga h SER 524 CO -0.04 -0.30 -0.55 1.88 -0.53 0.00 0.00 176.83 177.29 3dga h TYR 525 N -0.23 0.00 -0.44 2.24 0.05 -1.41 -1.41 116.97 115.78 3dga h TYR 525 Ca 0.18 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 3dga h TYR 525 Cb 0.51 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 3dga h TYR 525 CO -0.51 0.55 0.08 0.77 -1.05 0.00 0.00 178.16 178.01 3dga h SER 526 N 0.00 0.70 -0.57 3.88 0.02 -0.83 0.20 113.55 116.94 3dga h SER 526 Ca -0.01 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.63 3dga h SER 526 Cb 1.23 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 3dga h SER 526 CO 0.07 0.77 0.14 0.40 -1.14 0.00 0.00 176.83 177.07 3dga h ILE 527 N 0.59 1.25 -0.78 3.27 2.04 -0.99 -2.44 117.51 120.44 3dga h ILE 527 Ca 0.14 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 3dga h ILE 527 Cb 0.37 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3dga h ILE 527 CO 0.01 0.33 0.39 0.15 0.00 0.00 0.00 178.15 179.02 3dga h PHE 528 N 0.81 1.11 -0.59 1.37 3.57 -0.74 -1.89 116.94 120.58 3dga h PHE 528 Ca 0.18 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3dga h PHE 528 Cb 0.35 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3dga h PHE 528 CO 0.02 0.79 0.17 1.15 -2.23 0.00 0.00 178.31 178.22 3dga h THR 529 N 1.11 1.23 -0.29 4.41 2.02 -0.37 -1.80 112.91 119.23 3dga h THR 529 Ca 0.27 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 3dga h THR 529 Cb 0.09 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3dga h THR 529 CO -0.04 0.31 0.11 0.45 0.37 0.00 0.00 175.52 176.72 3dga h HIS 530 N 0.87 0.44 0.27 3.16 3.86 -0.90 -0.24 115.15 122.61 3dga h HIS 530 Ca 0.19 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3dga h HIS 530 Cb 0.27 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3dga h HIS 530 CO 0.02 0.45 -0.13 0.52 0.86 0.00 0.00 177.93 179.65 3dga h MET 531 N 0.31 -0.35 -0.42 2.45 2.07 -1.11 -0.14 114.93 117.74 3dga h MET 531 Ca 0.09 0.02 0.03 0.00 -2.07 0.00 0.00 59.70 57.77 3dga h MET 531 Cb 0.20 0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.98 3dga h MET 531 CO -0.01 -0.21 0.23 0.82 1.07 0.00 0.00 176.91 178.81 3dga h ILE 532 N -0.39 1.01 -0.79 -1.22 1.08 -1.32 -1.75 117.51 114.14 3dga h ILE 532 Ca -0.04 -0.16 0.10 0.00 -0.39 0.00 0.00 64.86 64.38 3dga h ILE 532 Cb 0.30 0.50 -0.08 0.00 -3.07 0.00 0.00 36.82 34.47 3dga h ILE 532 CO 0.06 0.08 0.42 0.00 -0.69 0.00 0.00 178.15 178.03 3dga h ALA 533 N 1.21 1.12 0.22 1.87 0.00 -0.79 -2.54 119.26 120.35 3dga h ALA 533 Ca 0.18 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3dga h ALA 533 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dga h ALA 533 CO -0.10 0.02 -0.11 0.37 0.00 0.00 0.00 179.25 179.42 3dga h GLN 534 N 0.70 -0.29 0.00 0.00 4.15 -0.37 0.20 115.11 119.49 3dga h GLN 534 Ca 0.39 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.83 3dga h GLN 534 Cb 0.41 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3dga h GLN 534 CO -0.27 0.06 0.00 1.33 -1.93 0.00 0.00 178.83 178.02 3dga n VAL 535 N -5.05 1.06 -0.17 2.39 0.24 -0.72 -0.53 118.33 115.55 3dga n VAL 535 Ca -0.09 0.26 0.04 0.00 -2.04 0.00 0.00 64.34 62.52 3dga n VAL 535 Cb 0.25 -1.18 0.12 0.00 -1.47 0.00 0.00 33.84 31.57 3dga n VAL 535 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dga n ASN 537 N 0.24 -1.92 -4.27 0.00 3.02 0.30 -4.85 115.26 107.79 3dga n ASN 537 Ca 0.09 -0.72 -0.19 0.00 -0.03 0.00 0.00 54.58 53.74 3dga n ASN 537 Cb 0.40 -4.58 -0.10 0.00 -0.61 0.00 0.00 39.78 34.89 3dga n ASN 537 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dga s LEU 538 N -6.58 1.77 -0.09 3.41 1.43 0.68 -5.00 118.68 114.30 3dga s LEU 538 Ca 0.05 -1.44 -0.01 0.00 -1.03 0.00 0.00 54.13 51.70 3dga s LEU 538 Cb -0.02 -0.04 -0.03 0.00 0.03 0.00 0.00 46.19 46.13 3dga s LEU 538 CO 0.77 -0.75 -0.03 -1.10 0.23 0.00 0.00 176.35 175.47 3dga s GLN 539 N -3.94 3.04 0.51 1.70 -1.52 -0.44 -4.11 119.66 114.90 3dga s GLN 539 Ca 0.36 -0.48 -0.21 0.00 -1.95 0.00 0.00 55.36 53.08 3dga s GLN 539 Cb 0.07 -2.74 -0.06 0.00 -0.22 0.00 0.00 33.01 30.06 3dga s GLN 539 CO 0.15 0.59 1.19 -1.25 -0.25 0.00 0.00 175.29 175.72 3dga s PRO 540 N -0.60 3.44 0.00 2.91 0.04 -1.26 -0.87 135.00 138.66 3dga s PRO 540 Ca 0.09 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.93 3dga s PRO 540 Cb -0.12 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3dga s PRO 540 CO 0.02 -0.82 0.00 0.00 0.04 0.00 0.00 177.00 176.24 3dga n ALA 541 N -0.95 0.00 -2.80 8.56 0.00 0.41 -3.95 120.51 121.77 3dga n ALA 541 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 3dga n ALA 541 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 3dga n ALA 541 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dga s GLN 542 N 1.07 3.75 -0.25 0.00 -0.21 -1.26 0.17 119.66 122.93 3dga s GLN 542 Ca 0.00 -0.12 -0.05 0.00 0.02 0.00 0.00 55.36 55.22 3dga s GLN 542 Cb 0.00 -3.28 0.00 0.00 1.00 0.00 0.00 33.01 30.73 3dga s GLN 542 CO 0.00 0.59 -0.00 0.12 -2.12 0.00 0.00 175.29 173.88 3dga s PHE 543 N -0.51 3.04 -0.18 0.91 5.36 0.00 -0.51 117.98 126.09 3dga s PHE 543 Ca 0.13 -1.02 -0.05 0.00 -0.96 0.00 0.00 56.93 55.03 3dga s PHE 543 Cb -0.12 -2.15 -0.03 0.00 -0.34 0.00 0.00 43.02 40.38 3dga s PHE 543 CO 0.03 -0.57 0.01 0.42 -1.46 0.00 0.00 175.22 173.64 3dga s ILE 544 N 1.47 4.18 -0.28 3.12 1.01 0.37 -1.27 121.20 129.80 3dga s ILE 544 Ca 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 3dga s ILE 544 Cb -0.16 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.47 3dga s ILE 544 CO -0.01 0.45 0.01 -2.28 0.00 0.00 0.00 174.94 173.11 3dga s HIS 545 N 0.67 3.14 -0.28 3.97 2.46 0.32 -0.80 115.29 124.77 3dga s HIS 545 Ca 0.00 -1.39 -0.10 0.00 0.47 0.00 0.00 55.06 54.05 3dga s HIS 545 Cb -0.14 -2.15 -0.03 0.00 -0.13 0.00 0.00 32.58 30.13 3dga s HIS 545 CO 0.02 -0.69 0.15 0.08 -2.47 0.00 0.00 174.74 171.83 3dga s VAL 546 N 1.38 4.82 -0.25 0.89 1.01 -0.45 -0.89 120.40 126.91 3dga s VAL 546 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 3dga s VAL 546 Cb -0.18 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 3dga s VAL 546 CO -0.01 0.22 0.22 -0.76 0.00 0.00 0.00 175.10 174.77 3dga s LEU 547 N 1.68 4.08 0.00 3.92 1.43 0.73 -0.96 118.68 129.55 3dga s LEU 547 Ca 0.06 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 3dga s LEU 547 Cb -0.16 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 43.87 3dga s LEU 547 CO 0.07 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.25 3dga n GLY 548 N 4.53 1.65 3.56 -3.19 0.00 0.74 -0.92 105.19 111.57 3dga n GLY 548 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3dga n GLY 548 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dga s ASN 549 N -1.00 6.26 -0.35 1.61 3.84 0.30 -0.38 114.94 125.23 3dga s ASN 549 Ca 0.00 -0.25 -0.12 0.00 0.21 0.00 0.00 52.86 52.70 3dga s ASN 549 Cb 0.00 -2.56 -0.01 0.00 -0.55 0.00 0.00 41.25 38.14 3dga s ASN 549 CO 0.00 -1.71 0.23 0.00 -2.79 0.00 0.00 177.10 172.82 3dga s ALA 550 N 5.47 3.43 0.17 1.71 0.00 -0.63 -1.03 121.76 130.88 3dga s ALA 550 Ca 0.38 -1.46 0.07 0.00 0.00 0.00 0.00 51.96 50.95 3dga s ALA 550 Cb -0.08 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 3dga s ALA 550 CO 0.19 -1.06 -0.14 -3.38 0.00 0.00 0.00 175.76 171.36 3dga s HIS 551 N 1.68 1.59 -0.20 0.00 -3.43 -0.33 -1.74 115.29 112.86 3dga s HIS 551 Ca 0.05 -0.58 0.01 0.00 -0.80 0.00 0.00 55.06 53.74 3dga s HIS 551 Cb -0.18 -0.78 0.04 0.00 -1.43 0.00 0.00 32.58 30.24 3dga s HIS 551 CO 0.09 0.26 -0.11 0.08 -2.00 0.00 0.00 174.74 173.07 3dga s VAL 552 N -2.69 1.68 -0.01 -5.38 1.01 -0.34 -1.95 120.40 112.72 3dga s VAL 552 Ca 0.17 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 3dga s VAL 552 Cb -0.02 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 3dga s VAL 552 CO 0.05 0.18 1.64 -0.31 0.00 0.00 0.00 175.10 176.65 3dga s TYR 553 N 1.38 2.15 0.40 5.22 2.02 -1.26 -1.67 117.35 125.59 3dga s TYR 553 Ca -0.01 0.26 0.26 0.00 -0.37 0.00 0.00 57.07 57.21 3dga s TYR 553 Cb -0.16 -3.91 1.41 0.00 -0.40 0.00 0.00 41.96 38.89 3dga s TYR 553 CO -0.08 -3.78 1.59 -0.91 -1.57 0.00 0.00 175.55 170.80 3dga h ASN 554 N 9.09 0.27 0.00 2.29 2.35 -1.60 1.28 115.58 129.26 3dga h ASN 554 Ca -0.40 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 3dga h ASN 554 Cb 1.19 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.77 3dga h ASN 554 CO 0.94 -0.34 0.00 -0.46 -1.65 0.00 0.00 177.43 175.93 3dga n ASN 555 N -4.99 0.00 -0.00 5.81 6.94 -1.26 -2.57 115.26 119.18 3dga n ASN 555 Ca 0.39 -1.33 0.05 0.00 -0.02 0.00 0.00 54.58 53.67 3dga n ASN 555 Cb 1.41 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 38.75 3dga n ASN 555 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3dga n HIS 556 N -0.68 0.00 -0.20 -2.53 8.25 0.44 -4.45 115.22 116.04 3dga n HIS 556 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3dga n HIS 556 Cb 0.03 -0.13 0.08 0.00 1.12 0.00 0.00 29.99 31.09 3dga n HIS 556 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3dga h ILE 557 N 0.00 0.44 -0.37 1.59 2.04 -1.50 -1.77 117.51 117.94 3dga h ILE 557 Ca 0.00 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3dga h ILE 557 Cb 0.39 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3dga h ILE 557 CO 0.00 0.01 0.18 0.44 0.00 0.00 0.00 178.15 178.78 3dga h ASP 558 N 0.06 0.26 -0.77 1.72 3.32 -1.86 -0.89 116.42 118.26 3dga h ASP 558 Ca 0.31 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 3dga h ASP 558 Cb 0.50 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3dga h ASP 558 CO -0.57 0.19 0.44 0.28 -1.72 0.00 0.00 179.24 177.86 3dga h SER 559 N 0.37 0.95 -0.56 6.45 0.02 -1.71 -2.31 113.55 116.75 3dga h SER 559 Ca 0.16 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 3dga h SER 559 Cb 0.07 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3dga h SER 559 CO -0.11 0.76 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.26 3dga h LEU 560 N 1.06 0.99 0.03 5.07 3.38 -0.97 -1.18 115.31 123.69 3dga h LEU 560 Ca 0.27 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3dga h LEU 560 Cb 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3dga h LEU 560 CO -0.05 1.05 -0.24 0.11 0.09 0.00 0.00 178.44 179.40 3dga h LYS 561 N 0.93 -0.38 -0.31 1.13 1.57 -0.82 0.41 116.57 119.10 3dga h LYS 561 Ca 0.17 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.04 3dga h LYS 561 Cb 0.54 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.86 3dga h LYS 561 CO 0.03 -0.25 -0.26 0.82 -0.57 0.00 0.00 179.45 179.21 3dga h ILE 562 N -0.39 0.34 -0.32 1.86 2.04 -1.18 -2.58 117.51 117.27 3dga h ILE 562 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3dga h ILE 562 Cb 0.46 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3dga h ILE 562 CO -0.19 0.00 0.11 -0.61 0.00 0.00 0.00 178.15 177.46 3dga h GLN 563 N -0.24 0.24 0.00 2.37 4.15 -0.28 -2.38 115.11 118.97 3dga h GLN 563 Ca 0.16 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3dga h GLN 563 Cb 0.48 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3dga h GLN 563 CO -0.45 0.16 0.09 1.28 -1.93 0.00 0.00 178.83 177.98 3dga n LEU 564 N -5.02 0.37 -1.36 -2.39 4.32 0.13 -0.91 117.00 112.15 3dga n LEU 564 Ca 0.00 0.63 0.12 0.00 -0.02 0.00 0.00 56.01 56.74 3dga n LEU 564 Cb 0.11 -0.66 0.32 0.00 -1.62 0.00 0.00 43.42 41.58 3dga n LEU 564 CO 0.28 -0.76 0.77 0.59 -1.22 0.00 0.00 177.39 177.06 3dga n ASN 565 N -2.01 3.97 -4.82 -1.43 3.02 -0.90 -4.32 115.26 108.78 3dga n ASN 565 Ca -0.01 -2.01 -0.36 0.00 -0.03 0.00 0.00 54.58 52.17 3dga n ASN 565 Cb 0.11 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 38.72 3dga n ASN 565 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dga s ARG 566 N -1.01 3.31 -0.02 3.52 0.52 -0.09 -4.76 118.95 120.42 3dga s ARG 566 Ca 0.49 -0.21 -0.20 0.00 -0.52 0.00 0.00 55.73 55.29 3dga s ARG 566 Cb 0.26 -3.08 -0.05 0.00 0.52 0.00 0.00 34.95 32.60 3dga s ARG 566 CO 0.33 0.76 0.59 0.42 0.02 0.00 0.00 175.30 177.42 3dga s ILE 567 N -0.99 4.95 0.60 1.52 1.01 -1.26 -4.95 121.20 122.08 3dga s ILE 567 Ca 0.14 1.23 -0.19 0.00 0.00 0.00 0.00 60.65 61.83 3dga s ILE 567 Cb -0.12 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3dga s ILE 567 CO 0.03 0.40 1.27 -2.84 0.00 0.00 0.00 174.94 173.81 3dga s PRO 568 N -0.05 2.85 0.27 2.79 0.02 -1.26 -4.85 135.00 134.77 3dga s PRO 568 Ca 0.31 2.01 0.06 0.00 0.02 0.00 0.00 61.00 63.40 3dga s PRO 568 Cb -0.18 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 3dga s PRO 568 CO 0.17 -1.35 0.31 0.71 -0.33 0.00 0.00 177.00 176.51 3dga s TYR 569 N -1.44 3.22 0.37 6.54 2.02 -1.26 -5.06 117.35 121.73 3dga s TYR 569 Ca 0.78 -0.11 -0.28 0.00 -0.37 0.00 0.00 57.07 57.09 3dga s TYR 569 Cb -0.35 -1.60 -0.10 0.00 -0.40 0.00 0.00 41.96 39.50 3dga s TYR 569 CO 0.39 0.37 1.40 -1.25 -1.57 0.00 0.00 175.55 174.89 3dga s PRO 570 N -3.96 4.15 0.84 -1.71 0.04 -1.26 -4.87 135.00 128.23 3dga s PRO 570 Ca 0.36 2.40 -0.12 0.00 0.04 0.00 0.00 61.00 63.67 3dga s PRO 570 Cb -0.08 -2.96 0.11 0.00 0.04 0.00 0.00 34.50 31.60 3dga s PRO 570 CO 0.28 -0.43 1.19 -0.06 0.04 0.00 0.00 177.00 178.02 3dga s PHE 571 N -1.15 1.72 0.00 0.56 0.08 -1.26 -4.58 117.98 113.36 3dga s PHE 571 Ca 0.52 1.72 0.00 0.00 0.12 0.00 0.00 56.93 59.29 3dga s PHE 571 Cb -0.43 -3.45 0.00 0.00 -0.57 0.00 0.00 43.02 38.57 3dga s PHE 571 CO 0.58 -2.86 0.00 -0.35 -0.10 0.00 0.00 175.22 172.48 3dga n PRO 572 N -3.63 1.11 -4.28 0.24 -0.04 -1.25 -4.81 135.00 122.35 3dga n PRO 572 Ca 0.13 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.43 3dga n PRO 572 Cb 0.51 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.87 3dga n PRO 572 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3dga s THR 573 N 0.38 1.38 -0.10 0.52 -4.23 -0.74 -1.40 115.64 111.45 3dga s THR 573 Ca 0.00 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 3dga s THR 573 Cb 0.00 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 3dga s THR 573 CO 0.00 -0.65 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.06 3dga s LEU 574 N -3.10 2.64 -0.11 4.79 2.96 -1.26 -1.18 118.68 123.42 3dga s LEU 574 Ca 0.17 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 3dga s LEU 574 Cb 0.00 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.13 3dga s LEU 574 CO 0.03 0.22 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.53 3dga s LYS 575 N 0.04 2.75 -0.07 1.98 -0.14 0.94 -4.98 119.74 120.26 3dga s LYS 575 Ca -0.05 -0.77 0.01 0.00 -1.36 0.00 0.00 55.97 53.80 3dga s LYS 575 Cb -0.15 -2.17 -0.03 0.00 -1.68 0.00 0.00 37.83 33.81 3dga s LYS 575 CO 0.05 0.07 -0.08 -0.51 -0.76 0.00 0.00 175.35 174.11 3dga s LEU 576 N 0.62 3.09 0.10 3.17 1.43 -1.26 -1.05 118.68 124.78 3dga s LEU 576 Ca -0.13 -0.07 -0.35 0.00 -1.03 0.00 0.00 54.13 52.55 3dga s LEU 576 Cb -0.17 -1.67 -0.15 0.00 0.03 0.00 0.00 46.19 44.24 3dga s LEU 576 CO 0.04 0.34 1.53 -3.20 0.23 0.00 0.00 176.35 175.28 3dga n ASN 577 N 2.38 2.61 0.20 2.29 2.85 -0.21 -4.84 115.26 120.55 3dga n ASN 577 Ca -0.18 1.09 0.13 0.00 -0.11 0.00 0.00 54.58 55.50 3dga n ASN 577 Cb 0.53 -1.33 0.26 0.00 1.24 0.00 0.00 39.78 40.47 3dga n ASN 577 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3dga h PRO 578 N 5.77 0.00 0.00 1.20 0.13 -1.97 -3.28 132.00 133.85 3dga h PRO 578 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3dga h PRO 578 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3dga h PRO 578 CO 0.86 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.19 3dga h ASP 579 N 0.00 0.00 -3.02 1.44 3.32 -2.02 -3.42 116.42 112.72 3dga h ASP 579 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3dga h ASP 579 Cb 0.91 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 3dga h ASP 579 CO 0.00 0.00 1.08 -0.63 -1.72 0.00 0.00 179.24 177.97 3dga s ILE 580 N -3.60 3.86 -0.54 0.35 -1.09 -1.24 -4.84 121.20 114.10 3dga s ILE 580 Ca 0.02 0.93 0.12 0.00 -2.23 0.00 0.00 60.65 59.49 3dga s ILE 580 Cb 0.09 -3.98 -0.13 0.00 -1.58 0.00 0.00 42.46 36.86 3dga s ILE 580 CO 0.51 -0.50 0.50 0.29 -1.23 0.00 0.00 174.94 174.50 3dga n LYS 581 N 7.79 2.87 -4.99 2.79 4.76 -1.26 -4.65 118.16 125.47 3dga n LYS 581 Ca 0.17 -0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.28 3dga n LYS 581 Cb 0.47 -1.08 -0.14 0.00 -1.84 0.00 0.00 35.03 32.43 3dga n LYS 581 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3dga s ASN 582 N -2.21 3.74 0.64 4.39 2.47 -1.26 -4.63 114.94 118.08 3dga s ASN 582 Ca 0.04 -0.31 0.36 0.00 0.42 0.00 0.00 52.86 53.38 3dga s ASN 582 Cb 0.09 -0.92 2.03 0.00 -1.45 0.00 0.00 41.25 40.99 3dga s ASN 582 CO 0.50 0.29 2.20 -0.29 -3.72 0.00 0.00 177.10 176.08 3dga h ILE 583 N 4.68 0.15 0.00 -5.21 6.09 -1.92 -1.27 117.51 120.03 3dga h ILE 583 Ca -0.40 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 3dga h ILE 583 Cb 1.16 0.89 0.00 0.00 0.47 0.00 0.00 36.82 39.34 3dga h ILE 583 CO 0.50 0.00 -0.67 -0.62 -3.07 0.00 0.00 178.15 174.29 3dga n GLU 584 N -3.26 0.13 -0.22 2.19 1.02 -1.26 -4.24 120.64 114.99 3dga n GLU 584 Ca -0.02 0.02 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 3dga n GLU 584 Cb 0.20 -1.56 0.17 0.00 -0.02 0.00 0.00 31.44 30.22 3dga n GLU 584 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3dga n ASP 585 N -1.74 2.15 -4.80 1.62 8.00 -0.48 -4.93 116.55 116.37 3dga n ASP 585 Ca 0.04 -2.06 -0.36 0.00 0.71 0.00 0.00 54.79 53.13 3dga n ASP 585 Cb 0.38 -0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 41.13 3dga n ASP 585 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dga s PHE 586 N -1.55 3.57 0.03 1.24 0.08 -1.26 -4.98 117.98 115.11 3dga s PHE 586 Ca 0.25 1.67 -0.00 0.00 0.12 0.00 0.00 56.93 58.96 3dga s PHE 586 Cb 0.14 -2.85 -0.03 0.00 -0.57 0.00 0.00 43.02 39.71 3dga s PHE 586 CO 0.16 0.14 -0.03 0.95 -0.10 0.00 0.00 175.22 176.33 3dga s THR 587 N -1.77 0.17 0.28 0.64 -4.23 -1.26 -5.05 115.64 104.42 3dga s THR 587 Ca 0.53 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.82 3dga s THR 587 Cb -0.15 -0.75 0.36 0.00 1.34 0.00 0.00 72.50 73.29 3dga s THR 587 CO 0.20 -0.68 1.37 0.00 -0.54 0.00 0.00 174.62 174.97 3dga n ILE 588 N 1.03 -0.37 0.68 2.99 0.13 -1.26 0.49 119.36 123.06 3dga n ILE 588 Ca -0.20 1.90 0.07 0.00 -1.10 0.00 0.00 62.75 63.41 3dga n ILE 588 Cb 0.57 -2.82 0.36 0.00 -0.84 0.00 0.00 39.64 36.91 3dga n ILE 588 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 3dga n SER 589 N -5.22 0.00 -0.45 9.51 3.41 -1.26 -2.25 113.62 117.36 3dga n SER 589 Ca 0.23 0.04 0.13 0.00 -0.26 0.00 0.00 58.87 59.01 3dga n SER 589 Cb 0.75 -0.26 0.52 0.00 -0.26 0.00 0.00 64.21 64.96 3dga n SER 589 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3dga n ASP 590 N -1.26 1.40 -4.30 4.04 8.00 0.18 -4.82 116.55 119.79 3dga n ASP 590 Ca 0.07 -1.51 -0.33 0.00 0.71 0.00 0.00 54.79 53.74 3dga n ASP 590 Cb 0.11 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.03 3dga n ASP 590 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dga s PHE 591 N -1.96 2.72 -0.04 1.24 0.40 -0.95 -1.04 117.98 118.35 3dga s PHE 591 Ca 0.37 -0.85 -0.01 0.00 -0.60 0.00 0.00 56.93 55.85 3dga s PHE 591 Cb 0.20 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.95 3dga s PHE 591 CO 0.32 -0.33 0.02 0.99 0.70 0.00 0.00 175.22 176.92 3dga s THR 592 N 0.43 0.13 -0.24 0.64 2.01 -0.21 -4.99 115.64 113.40 3dga s THR 592 Ca -0.13 0.20 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 3dga s THR 592 Cb -0.16 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 3dga s THR 592 CO 0.06 0.18 0.13 -0.63 -0.69 0.00 0.00 174.62 173.67 3dga s ILE 593 N 1.61 5.10 0.03 1.82 -1.09 -1.26 -0.04 121.20 127.37 3dga s ILE 593 Ca -0.02 0.09 0.07 0.00 -2.23 0.00 0.00 60.65 58.56 3dga s ILE 593 Cb -0.13 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 3dga s ILE 593 CO -0.03 0.35 -0.19 -1.10 -1.23 0.00 0.00 174.94 172.74 3dga s GLN 594 N 1.13 2.06 -1.24 2.79 -0.21 -0.32 -4.76 119.66 119.11 3dga s GLN 594 Ca 0.06 -0.98 -0.00 0.00 0.02 0.00 0.00 55.36 54.46 3dga s GLN 594 Cb -0.14 -2.17 0.00 0.00 1.00 0.00 0.00 33.01 31.71 3dga s GLN 594 CO 0.05 0.54 0.90 0.09 -2.12 0.00 0.00 175.29 174.75 3dga n ASN 595 N 1.65 -1.79 -4.54 5.90 3.02 -1.26 -1.79 115.26 116.45 3dga n ASN 595 Ca -0.16 -0.69 -0.43 0.00 -0.03 0.00 0.00 54.58 53.27 3dga n ASN 595 Cb 0.52 -4.77 -0.04 0.00 -0.61 0.00 0.00 39.78 34.88 3dga n ASN 595 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3dga s TYR 596 N -3.46 2.87 -0.23 3.10 5.04 -1.26 -4.09 117.35 119.31 3dga s TYR 596 Ca 0.01 0.12 -0.07 0.00 -2.44 0.00 0.00 57.07 54.69 3dga s TYR 596 Cb -0.00 -3.97 -0.03 0.00 0.35 0.00 0.00 41.96 38.31 3dga s TYR 596 CO 0.76 -1.21 0.05 0.08 -1.34 0.00 0.00 175.55 173.89 3dga s VAL 597 N 3.76 4.29 0.07 3.14 1.01 -1.26 -5.06 120.40 126.34 3dga s VAL 597 Ca 0.32 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 3dga s VAL 597 Cb -0.12 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3dga s VAL 597 CO 0.22 0.38 0.21 -1.38 0.00 0.00 0.00 175.10 174.53 3dga s HIS 598 N 1.30 0.07 1.19 5.22 -3.43 -1.26 -4.68 115.29 113.69 3dga s HIS 598 Ca 0.05 -0.39 -0.20 0.00 -0.80 0.00 0.00 55.06 53.72 3dga s HIS 598 Cb -0.15 -0.02 0.28 0.00 -1.43 0.00 0.00 32.58 31.27 3dga s HIS 598 CO 0.03 -0.51 1.15 -1.01 -2.00 0.00 0.00 174.74 172.40 3dga s HIS 599 N -3.25 0.46 0.65 0.38 3.76 0.68 -4.93 115.29 113.04 3dga s HIS 599 Ca 0.00 0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 55.19 3dga s HIS 599 Cb 0.02 -3.60 -0.02 0.00 1.11 0.00 0.00 32.58 30.09 3dga s HIS 599 CO -0.08 -3.79 1.04 -1.83 -0.85 0.00 0.00 174.74 169.23 3dga s GLU 600 N -5.55 3.27 0.58 1.40 -1.05 -1.26 -3.52 118.70 112.58 3dga s GLU 600 Ca 0.72 0.91 -0.18 0.00 -0.15 0.00 0.00 54.97 56.28 3dga s GLU 600 Cb -0.07 -2.03 -0.07 0.00 -0.44 0.00 0.00 34.13 31.51 3dga s GLU 600 CO 0.55 -0.83 0.66 1.17 0.95 0.00 0.00 175.26 177.76 3dga n LYS 601 N -2.77 0.62 -3.77 -4.83 4.81 -1.26 -3.69 118.16 107.27 3dga n LYS 601 Ca 0.07 0.24 -0.14 0.00 -0.87 0.00 0.00 58.31 57.61 3dga n LYS 601 Cb 0.54 -1.84 -0.15 0.00 0.02 0.00 0.00 35.03 33.59 3dga n LYS 601 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3dga s ILE 602 N -1.66 -0.05 -0.28 3.15 1.01 -1.26 -4.84 121.20 117.27 3dga s ILE 602 Ca 0.71 0.19 -0.18 0.00 0.00 0.00 0.00 60.65 61.36 3dga s ILE 602 Cb -0.44 -0.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 3dga s ILE 602 CO 0.52 0.08 0.54 -0.44 0.00 0.00 0.00 174.94 175.64 3dga s SER 603 N 1.01 6.44 0.00 3.58 0.01 -1.26 -4.91 113.70 118.57 3dga s SER 603 Ca -0.08 0.47 0.09 0.00 1.31 0.00 0.00 55.95 57.74 3dga s SER 603 Cb -0.11 -2.29 0.48 0.00 0.21 0.00 0.00 66.02 64.30 3dga s SER 603 CO -0.04 -0.34 1.12 0.23 0.41 0.00 0.00 173.24 174.63 3dga n MET 604 N 5.63 0.17 -3.12 12.44 0.00 -1.26 -3.33 117.12 127.65 3dga n MET 604 Ca -0.03 0.15 -0.21 0.00 0.00 0.00 0.00 57.70 57.61 3dga n MET 604 Cb 0.49 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.18 3dga n MET 604 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3dga n ASP 605 N -1.21 1.85 -4.75 7.83 4.64 -1.26 -4.06 116.55 119.59 3dga n ASP 605 Ca 0.05 -3.19 -0.41 0.00 -1.38 0.00 0.00 54.79 49.86 3dga n ASP 605 Cb 0.06 -0.60 -0.03 0.00 -1.04 0.00 0.00 41.12 39.51 3dga n ASP 605 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3dga s MET 606 N -2.68 4.44 0.00 -0.67 0.23 -1.21 -5.00 119.30 114.41 3dga s MET 606 Ca 0.42 2.00 0.00 0.00 -1.03 0.00 0.00 55.69 57.09 3dga s MET 606 Cb 0.32 -3.18 0.00 0.00 -1.53 0.00 0.00 34.83 30.44 3dga s MET 606 CO -0.10 -0.13 0.00 0.00 -2.03 0.00 0.00 175.02 172.76 3dga n ALA 607 N 2.07 1.55 0.00 3.16 0.00 -1.26 -5.12 120.51 120.91 3dga n ALA 607 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3dga n ALA 607 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3dga n ALA 607 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50