#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ga9 s THR 353 N 0.00 0.02 0.01 12.58 -1.32 0.02 -4.73 115.64 122.22 3ga9 s THR 353 Ca 0.00 -0.15 0.05 0.00 -1.21 0.00 0.00 61.69 60.38 3ga9 s THR 353 Cb 0.00 -0.65 -0.02 0.00 -1.51 0.00 0.00 72.50 70.32 3ga9 s THR 353 CO 0.00 -0.08 -0.15 -2.28 -2.21 0.00 0.00 174.62 169.90 3ga9 s HIS 354 N -0.40 1.36 0.13 9.09 5.65 -1.26 -1.14 115.29 128.72 3ga9 s HIS 354 Ca -0.05 -0.29 -0.07 0.00 0.25 0.00 0.00 55.06 54.90 3ga9 s HIS 354 Cb -0.03 -0.86 -0.02 0.00 -1.18 0.00 0.00 32.58 30.49 3ga9 s HIS 354 CO 0.03 0.00 0.19 -0.59 -0.65 0.00 0.00 174.74 173.72 3ga9 s PHE 355 N -0.51 0.45 -0.01 3.88 -0.71 0.40 -4.70 117.98 116.79 3ga9 s PHE 355 Ca 0.05 -0.85 0.00 0.00 -1.04 0.00 0.00 56.93 55.09 3ga9 s PHE 355 Cb -0.07 -0.17 0.01 0.00 -1.21 0.00 0.00 43.02 41.58 3ga9 s PHE 355 CO 0.00 -0.61 0.00 0.08 -1.34 0.00 0.00 175.22 173.35 3ga9 s VAL 356 N -3.96 0.05 -0.02 -2.49 1.01 -1.26 -1.59 120.40 112.14 3ga9 s VAL 356 Ca 0.15 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.20 3ga9 s VAL 356 Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 36.38 36.34 3ga9 s VAL 356 CO -0.03 0.05 -0.10 -0.63 0.00 0.00 0.00 175.10 174.39 3ga9 s ILE 357 N 0.34 0.83 -0.11 2.22 1.01 -0.22 -4.87 121.20 120.41 3ga9 s ILE 357 Ca -0.03 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.21 3ga9 s ILE 357 Cb -0.05 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.72 3ga9 s ILE 357 CO -0.01 0.25 -0.12 -0.63 0.00 0.00 0.00 174.94 174.43 3ga9 s ILE 358 N -0.03 1.27 0.59 2.92 1.01 -1.26 -0.63 121.20 125.07 3ga9 s ILE 358 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.25 3ga9 s ILE 358 Cb -0.06 -1.21 0.09 0.00 0.01 0.00 0.00 42.46 41.29 3ga9 s ILE 358 CO 0.00 0.40 0.82 1.51 0.00 0.00 0.00 174.94 177.67 3ga9 s ASP 359 N 1.26 5.00 0.29 3.58 1.47 -0.29 -4.97 116.67 123.01 3ga9 s ASP 359 Ca -0.02 -0.75 0.01 0.00 1.18 0.00 0.00 52.55 52.97 3ga9 s ASP 359 Cb -0.14 0.20 0.70 0.00 -0.34 0.00 0.00 42.92 43.35 3ga9 s ASP 359 CO -0.04 -1.40 1.60 0.03 0.68 0.00 0.00 175.17 176.03 3ga9 h ARG 360 N 0.08 0.08 -1.02 2.11 3.08 -2.02 0.88 114.38 117.57 3ga9 h ARG 360 Ca -0.31 -0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.24 3ga9 h ARG 360 Cb 1.28 -0.02 -0.27 0.00 0.08 0.00 0.00 29.97 31.04 3ga9 h ARG 360 CO 0.41 0.05 0.63 -0.40 -1.07 0.00 0.00 179.97 179.59 3ga9 n ASP 361 N -5.39 4.47 -0.90 7.04 5.68 -1.26 -4.90 116.55 121.30 3ga9 n ASP 361 Ca 0.21 -3.48 -0.12 0.00 -0.50 0.00 0.00 54.79 50.91 3ga9 n ASP 361 Cb 0.70 -0.84 -0.05 0.00 -1.14 0.00 0.00 41.12 39.79 3ga9 n ASP 361 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ga9 n GLY 362 N -0.91 1.25 3.72 6.12 0.00 0.30 -4.99 105.19 110.68 3ga9 n GLY 362 Ca 0.54 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3ga9 n GLY 362 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ga9 s THR 363 N -2.32 3.33 -0.10 2.61 2.01 -1.26 -4.84 115.64 115.06 3ga9 s THR 363 Ca 0.00 0.97 0.01 0.00 0.31 0.00 0.00 61.69 62.98 3ga9 s THR 363 Cb 0.00 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 3ga9 s THR 363 CO 0.00 0.09 -0.12 0.54 -0.69 0.00 0.00 174.62 174.44 3ga9 s VAL 364 N 0.93 3.22 -0.08 3.82 0.11 -1.26 -1.14 120.40 126.01 3ga9 s VAL 364 Ca 0.63 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 3ga9 s VAL 364 Cb -0.36 -2.33 -0.02 0.00 -1.53 0.00 0.00 36.38 32.14 3ga9 s VAL 364 CO 0.32 0.55 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.79 3ga9 s VAL 365 N -0.14 2.89 -0.07 2.04 1.01 0.19 -4.98 120.40 121.35 3ga9 s VAL 365 Ca -0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3ga9 s VAL 365 Cb -0.13 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.13 3ga9 s VAL 365 CO 0.03 0.57 0.02 -0.55 0.00 0.00 0.00 175.10 175.17 3ga9 s SER 366 N -0.29 1.53 -0.08 3.32 0.15 -1.26 -1.06 113.70 116.01 3ga9 s SER 366 Ca 0.02 -0.07 -0.07 0.00 0.70 0.00 0.00 55.95 56.52 3ga9 s SER 366 Cb -0.13 -0.37 0.02 0.00 -1.71 0.00 0.00 66.02 63.83 3ga9 s SER 366 CO 0.03 -0.21 0.22 -0.55 1.20 0.00 0.00 173.24 173.92 3ga9 s SER 367 N 2.02 -0.22 -0.06 5.45 0.15 -0.62 -4.75 113.70 115.66 3ga9 s SER 367 Ca 0.05 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.14 3ga9 s SER 367 Cb -0.12 0.43 0.02 0.00 -1.71 0.00 0.00 66.02 64.64 3ga9 s SER 367 CO -0.05 -0.08 -0.04 0.28 1.20 0.00 0.00 173.24 174.55 3ga9 s THR 368 N 0.19 0.58 0.24 6.45 -1.32 -1.26 -0.45 115.64 120.07 3ga9 s THR 368 Ca -0.01 -0.11 0.10 0.00 -1.21 0.00 0.00 61.69 60.46 3ga9 s THR 368 Cb -0.02 -0.62 -0.05 0.00 -1.51 0.00 0.00 72.50 70.30 3ga9 s THR 368 CO -0.00 0.25 -0.18 0.20 -2.21 0.00 0.00 174.62 172.67 3ga9 s ASN 369 N 1.15 3.20 -0.08 8.08 0.01 -0.29 -4.96 114.94 122.04 3ga9 s ASN 369 Ca -0.07 -1.00 -0.31 0.00 -0.71 0.00 0.00 52.86 50.76 3ga9 s ASN 369 Cb -0.14 -0.24 0.12 0.00 0.41 0.00 0.00 41.25 41.40 3ga9 s ASN 369 CO -0.01 -0.02 1.03 0.28 -1.51 0.00 0.00 177.10 176.86 3ga9 s THR 370 N -2.56 0.00 -1.13 1.60 -1.32 -1.26 -0.80 115.64 110.17 3ga9 s THR 370 Ca 0.26 -0.02 0.09 0.00 -1.21 0.00 0.00 61.69 60.81 3ga9 s THR 370 Cb -0.04 -1.04 0.10 0.00 -1.51 0.00 0.00 72.50 70.01 3ga9 s THR 370 CO 0.11 0.00 0.85 0.18 -2.21 0.00 0.00 174.62 173.56 3ga9 n LEU 371 N -0.19 1.92 0.00 9.08 4.77 -1.26 -4.98 117.00 126.34 3ga9 n LEU 371 Ca -0.05 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 3ga9 n LEU 371 Cb 0.60 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3ga9 n LEU 371 CO 0.10 0.40 0.00 -1.20 -1.33 0.00 0.00 177.39 175.36 3ga9 n SER 372 N 0.51 0.00 -4.73 -1.43 7.64 -1.26 -1.42 113.62 112.92 3ga9 n SER 372 Ca 0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.63 3ga9 n SER 372 Cb 0.26 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.58 3ga9 n SER 372 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3ga9 s ASN 373 N -4.00 3.85 -0.02 6.43 0.01 -1.26 -4.51 114.94 115.43 3ga9 s ASN 373 Ca 0.00 1.98 -0.34 0.00 -0.71 0.00 0.00 52.86 53.79 3ga9 s ASN 373 Cb 0.00 -2.54 -0.12 0.00 0.41 0.00 0.00 41.25 38.99 3ga9 s ASN 373 CO 0.00 -2.48 1.79 0.49 -1.51 0.00 0.00 177.10 175.39 3ga9 n PHE 374 N -3.80 2.30 -0.97 2.20 3.72 -1.26 -0.50 117.46 119.14 3ga9 n PHE 374 Ca 0.10 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 3ga9 n PHE 374 Cb 0.53 -2.62 0.00 0.00 -0.94 0.00 0.00 39.48 36.44 3ga9 n PHE 374 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3ga9 n PHE 375 N 5.68 0.00 -1.08 1.38 3.01 -1.26 -4.76 117.46 120.43 3ga9 n PHE 375 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.67 3ga9 n PHE 375 Cb 0.29 -1.25 0.00 0.00 -0.01 0.00 0.00 39.48 38.51 3ga9 n PHE 375 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ga9 n GLY 376 N -0.59 2.97 0.00 1.37 0.00 0.34 -0.51 105.19 108.77 3ga9 n GLY 376 Ca 0.00 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.88 3ga9 n GLY 376 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ga9 n THR 377 N 0.00 0.28 -0.15 2.61 -2.24 -0.44 -4.55 114.28 109.80 3ga9 n THR 377 Ca 0.00 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3ga9 n THR 377 Cb 0.00 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 3ga9 n THR 377 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ga9 n GLY 378 N 0.84 2.10 3.76 3.38 0.00 0.33 -5.01 105.19 110.61 3ga9 n GLY 378 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3ga9 n GLY 378 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ga9 s LYS 379 N -0.21 4.54 -0.06 1.61 1.02 -1.26 -4.92 119.74 120.47 3ga9 s LYS 379 Ca 0.00 1.89 -0.02 0.00 0.02 0.00 0.00 55.97 57.86 3ga9 s LYS 379 Cb 0.00 -3.13 0.04 0.00 -0.52 0.00 0.00 37.83 34.22 3ga9 s LYS 379 CO 0.00 0.10 0.10 -0.47 -0.92 0.00 0.00 175.35 174.16 3ga9 s TYR 380 N -1.18 -0.06 -0.15 3.18 5.04 -1.26 -0.65 117.35 122.28 3ga9 s TYR 380 Ca 0.46 0.40 -0.17 0.00 -2.44 0.00 0.00 57.07 55.32 3ga9 s TYR 380 Cb -0.33 -0.33 0.04 0.00 0.35 0.00 0.00 41.96 41.69 3ga9 s TYR 380 CO 0.43 -0.20 0.46 -0.08 -1.34 0.00 0.00 175.55 174.82 3ga9 s THR 381 N 1.97 0.01 -1.30 4.34 -1.32 -0.42 -4.90 115.64 114.02 3ga9 s THR 381 Ca 0.01 -0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 60.32 3ga9 s THR 381 Cb -0.12 -0.66 0.09 0.00 -1.51 0.00 0.00 72.50 70.29 3ga9 s THR 381 CO -0.04 -0.03 0.51 0.00 -2.21 0.00 0.00 174.62 172.84 3ga9 n ALA 382 N 2.51 -1.09 -0.37 11.08 0.00 -1.26 -1.47 120.51 129.92 3ga9 n ALA 382 Ca -0.15 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3ga9 n ALA 382 Cb 0.57 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.25 3ga9 n ALA 382 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ga9 n GLY 383 N -1.17 0.69 3.08 0.00 0.00 -1.26 -5.06 105.19 101.47 3ga9 n GLY 383 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3ga9 n GLY 383 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ga9 s PHE 384 N -2.70 0.51 -0.01 1.61 -0.12 -0.54 -5.14 117.98 111.59 3ga9 s PHE 384 Ca 0.00 -0.95 -0.25 0.00 -0.05 0.00 0.00 56.93 55.68 3ga9 s PHE 384 Cb 0.00 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.98 3ga9 s PHE 384 CO 0.00 -0.32 0.78 -0.06 -0.05 0.00 0.00 175.22 175.57 3ga9 s PHE 385 N -3.39 3.66 0.04 3.49 0.08 -1.26 -1.30 117.98 119.30 3ga9 s PHE 385 Ca 0.03 1.43 -0.29 0.00 0.12 0.00 0.00 56.93 58.22 3ga9 s PHE 385 Cb 0.04 -2.87 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 3ga9 s PHE 385 CO -0.08 0.15 0.95 -0.51 -0.10 0.00 0.00 175.22 175.63 3ga9 s LEU 386 N 0.47 4.42 0.80 -0.37 1.43 0.18 -4.91 118.68 120.70 3ga9 s LEU 386 Ca 0.41 1.68 -0.15 0.00 -1.03 0.00 0.00 54.13 55.03 3ga9 s LEU 386 Cb -0.20 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 3ga9 s LEU 386 CO 0.22 -0.17 0.53 -0.46 0.23 0.00 0.00 176.35 176.71 3ga9 n ASN 387 N 3.42 -1.31 -4.62 2.29 0.23 -1.26 -1.33 115.26 112.67 3ga9 n ASN 387 Ca 0.04 0.51 -0.35 0.00 -0.53 0.00 0.00 54.58 54.25 3ga9 n ASN 387 Cb 0.50 -1.23 -0.10 0.00 -2.08 0.00 0.00 39.78 36.87 3ga9 n ASN 387 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3ga9 s ASN 388 N -1.67 5.61 -0.36 0.53 3.84 -0.51 -4.01 114.94 118.36 3ga9 s ASN 388 Ca 0.63 0.06 -0.10 0.00 0.21 0.00 0.00 52.86 53.67 3ga9 s ASN 388 Cb -0.30 -1.97 0.03 0.00 -0.55 0.00 0.00 41.25 38.46 3ga9 s ASN 388 CO 0.60 0.16 0.19 -1.58 -2.79 0.00 0.00 177.10 173.68 3ga9 s GLN 389 N 0.46 2.83 0.01 0.43 0.74 -1.26 -4.42 119.66 118.45 3ga9 s GLN 389 Ca 0.03 -1.07 -0.30 0.00 0.05 0.00 0.00 55.36 54.07 3ga9 s GLN 389 Cb -0.13 -3.68 -0.05 0.00 1.10 0.00 0.00 33.01 30.25 3ga9 s GLN 389 CO 0.01 -0.68 1.34 -0.51 -0.55 0.00 0.00 175.29 174.90 3ga9 s LEU 390 N 1.53 4.32 -0.73 3.68 2.01 -1.26 -4.96 118.68 123.28 3ga9 s LEU 390 Ca 0.02 2.08 -0.27 0.00 0.01 0.00 0.00 54.13 55.97 3ga9 s LEU 390 Cb -0.19 -3.57 0.02 0.00 0.01 0.00 0.00 46.19 42.46 3ga9 s LEU 390 CO 0.06 -0.66 1.40 -1.58 1.01 0.00 0.00 176.35 176.58 3ga9 s GLN 391 N 2.06 3.09 -0.00 1.70 0.74 -1.26 -4.81 119.66 121.18 3ga9 s GLN 391 Ca 0.62 -0.11 0.01 0.00 0.05 0.00 0.00 55.36 55.93 3ga9 s GLN 391 Cb -0.31 -4.27 0.01 0.00 1.10 0.00 0.00 33.01 29.55 3ga9 s GLN 391 CO 0.26 -2.27 0.98 0.09 -0.55 0.00 0.00 175.29 173.80 3ga9 n ASN 392 N 10.03 1.91 -1.26 6.67 3.02 -1.26 -5.08 115.26 129.29 3ga9 n ASN 392 Ca 0.08 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 3ga9 n ASN 392 Cb 0.50 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3ga9 n ASN 392 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3ga9 n GLU 402 N -0.51 -3.57 0.00 3.52 4.07 -1.26 -3.60 120.64 119.29 3ga9 n GLU 402 Ca 0.01 2.61 0.00 0.00 -0.06 0.00 0.00 57.16 59.72 3ga9 n GLU 402 Cb 0.28 -2.90 0.00 0.00 -0.06 0.00 0.00 31.44 28.75 3ga9 n GLU 402 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3ga9 n PRO 403 N -0.26 0.00 0.00 5.31 -0.02 -1.26 -3.25 135.00 135.52 3ga9 n PRO 403 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3ga9 n PRO 403 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3ga9 n PRO 403 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ga9 n GLY 404 N 0.00 1.08 3.93 -1.23 0.00 -1.26 -4.85 105.19 102.87 3ga9 n GLY 404 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3ga9 n GLY 404 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ga9 s LYS 405 N 0.26 3.48 0.13 1.61 2.20 -1.20 -5.10 119.74 121.11 3ga9 s LYS 405 Ca 0.00 -0.46 -0.10 0.00 -0.36 0.00 0.00 55.97 55.05 3ga9 s LYS 405 Cb 0.00 -2.90 -0.06 0.00 -1.51 0.00 0.00 37.83 33.35 3ga9 s LYS 405 CO 0.00 0.46 0.46 1.03 -0.36 0.00 0.00 175.35 176.94 3ga9 s ARG 406 N -3.24 3.80 0.49 4.03 0.52 -1.26 -5.05 118.95 118.24 3ga9 s ARG 406 Ca 0.37 0.24 -0.05 0.00 -0.52 0.00 0.00 55.73 55.76 3ga9 s ARG 406 Cb -0.11 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 3ga9 s ARG 406 CO 0.29 0.49 0.79 -1.54 0.02 0.00 0.00 175.30 175.35 3ga9 s SER 407 N -1.92 6.21 0.55 0.23 1.04 -1.26 -5.04 113.70 113.50 3ga9 s SER 407 Ca 0.37 0.91 -0.22 0.00 0.48 0.00 0.00 55.95 57.49 3ga9 s SER 407 Cb -0.14 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.74 3ga9 s SER 407 CO 0.20 -0.62 1.35 -0.13 0.98 0.00 0.00 173.24 175.02 3ga9 s ARG 408 N -4.76 3.15 0.03 4.02 1.81 -1.24 -5.02 118.95 116.94 3ga9 s ARG 408 Ca 0.48 2.22 -0.02 0.00 -1.72 0.00 0.00 55.73 56.69 3ga9 s ARG 408 Cb -0.10 -2.26 -0.02 0.00 -0.45 0.00 0.00 34.95 32.12 3ga9 s ARG 408 CO 0.45 -1.18 0.01 -0.08 -0.68 0.00 0.00 175.30 173.82 3ga9 s THR 409 N -1.31 0.15 -0.71 0.02 -1.32 -1.26 -4.87 115.64 106.34 3ga9 s THR 409 Ca 0.71 -1.24 -0.22 0.00 -1.21 0.00 0.00 61.69 59.73 3ga9 s THR 409 Cb -0.40 -0.85 0.08 0.00 -1.51 0.00 0.00 72.50 69.82 3ga9 s THR 409 CO 0.47 -0.68 1.02 -0.36 -2.21 0.00 0.00 174.62 172.86 3ga9 s PHE 410 N -2.57 2.70 0.00 9.09 0.08 -1.26 -5.13 117.98 120.89 3ga9 s PHE 410 Ca -0.05 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.35 3ga9 s PHE 410 Cb -0.02 -4.33 0.00 0.00 -0.57 0.00 0.00 43.02 38.11 3ga9 s PHE 410 CO -0.05 -1.66 0.00 0.00 -0.10 0.00 0.00 175.22 173.41 3ga9 n ALA 412 N 7.69 0.00 -1.67 5.36 0.00 -1.26 -4.66 120.51 125.97 3ga9 n ALA 412 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.00 3ga9 n ALA 412 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 3ga9 n ALA 412 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ga9 n PRO 413 N 0.00 2.20 -3.99 0.00 -0.02 -1.26 -4.75 135.00 127.18 3ga9 n PRO 413 Ca 0.00 0.79 -0.09 0.00 -2.02 0.00 0.00 63.50 62.18 3ga9 n PRO 413 Cb 0.00 -2.57 -0.11 0.00 -0.02 0.00 0.00 33.50 30.80 3ga9 n PRO 413 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ga9 s THR 414 N 0.89 0.12 -0.04 3.45 -4.23 -0.50 -5.00 115.64 110.34 3ga9 s THR 414 Ca 0.78 -0.94 0.06 0.00 -1.18 0.00 0.00 61.69 60.41 3ga9 s THR 414 Cb -0.66 -0.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.85 3ga9 s THR 414 CO 0.38 -0.51 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.02 3ga9 s VAL 415 N -1.54 2.25 -0.10 2.29 1.01 -1.26 -1.07 120.40 121.99 3ga9 s VAL 415 Ca -0.15 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.83 3ga9 s VAL 415 Cb -0.09 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 3ga9 s VAL 415 CO -0.01 0.58 -0.14 -0.76 0.00 0.00 0.00 175.10 174.77 3ga9 s LEU 416 N -0.43 2.71 -0.04 3.92 2.01 0.25 -4.99 118.68 122.12 3ga9 s LEU 416 Ca 0.04 -0.28 0.01 0.00 0.01 0.00 0.00 54.13 53.92 3ga9 s LEU 416 Cb -0.12 -1.58 0.02 0.00 0.01 0.00 0.00 46.19 44.52 3ga9 s LEU 416 CO 0.01 0.24 -0.05 -0.54 1.01 0.00 0.00 176.35 177.02 3ga9 s LYS 417 N -0.09 0.82 0.42 1.70 1.02 -1.26 -0.49 119.74 121.86 3ga9 s LYS 417 Ca -0.02 -0.11 0.04 0.00 0.02 0.00 0.00 55.97 55.89 3ga9 s LYS 417 Cb -0.14 -0.82 -0.05 0.00 -0.52 0.00 0.00 37.83 36.31 3ga9 s LYS 417 CO 0.04 -0.07 0.04 0.15 -0.92 0.00 0.00 175.35 174.59 3ga9 s LYS 418 N 0.85 1.95 0.25 1.68 1.02 -0.62 -5.05 119.74 119.82 3ga9 s LYS 418 Ca -0.11 -2.16 -0.30 0.00 0.02 0.00 0.00 55.97 53.42 3ga9 s LYS 418 Cb -0.14 -1.24 -0.09 0.00 -0.52 0.00 0.00 37.83 35.84 3ga9 s LYS 418 CO 0.00 -0.25 1.19 -0.51 -0.92 0.00 0.00 175.35 174.86 3ga9 s ASP 419 N -3.69 7.08 -0.92 2.83 1.11 -1.26 -2.94 116.67 118.89 3ga9 s ASP 419 Ca 0.25 2.35 0.00 0.00 0.18 0.00 0.00 52.55 55.33 3ga9 s ASP 419 Cb 0.06 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.43 3ga9 s ASP 419 CO 0.12 -0.33 0.00 0.61 1.18 0.00 0.00 175.17 176.76 3ga9 n GLY 420 N 1.57 0.89 3.36 0.21 0.00 -1.26 -5.00 105.19 104.96 3ga9 n GLY 420 Ca 0.02 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3ga9 n GLY 420 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ga9 s GLU 421 N -2.57 0.47 -0.12 1.61 2.12 -1.15 -3.10 118.70 115.96 3ga9 s GLU 421 Ca 0.00 0.91 0.01 0.00 0.36 0.00 0.00 54.97 56.25 3ga9 s GLU 421 Cb 0.00 0.03 0.02 0.00 0.26 0.00 0.00 34.13 34.44 3ga9 s GLU 421 CO 0.00 -0.16 -0.13 0.99 -0.54 0.00 0.00 175.26 175.42 3ga9 s THR 422 N 1.51 1.38 -0.16 -1.70 2.01 0.14 -1.58 115.64 117.24 3ga9 s THR 422 Ca -0.09 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.38 3ga9 s THR 422 Cb -0.08 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.15 3ga9 s THR 422 CO -0.15 0.42 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.39 3ga9 s ILE 423 N 1.27 2.28 -0.10 1.82 1.01 0.35 0.25 121.20 128.09 3ga9 s ILE 423 Ca -0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 3ga9 s ILE 423 Cb -0.14 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 3ga9 s ILE 423 CO -0.05 0.53 -0.05 -0.83 0.00 0.00 0.00 174.94 174.54 3ga9 s GLY 424 N 0.96 1.72 0.04 6.18 0.00 -0.86 0.88 107.32 116.25 3ga9 s GLY 424 Ca -0.03 -0.85 -0.22 0.00 0.00 0.00 0.00 44.72 43.62 3ga9 s GLY 424 CO -0.04 -0.41 0.52 -1.50 0.00 0.00 0.00 173.10 171.66 3ga9 s ILE 425 N -0.35 0.03 -0.03 0.90 2.07 -0.23 -1.34 121.20 122.25 3ga9 s ILE 425 Ca 0.05 -0.25 -0.23 0.00 -1.41 0.00 0.00 60.65 58.81 3ga9 s ILE 425 Cb -0.12 -0.97 0.08 0.00 0.13 0.00 0.00 42.46 41.57 3ga9 s ILE 425 CO 0.02 -0.14 1.06 0.61 -1.91 0.00 0.00 174.94 174.58 3ga9 n GLY 426 N 0.42 0.26 3.60 1.50 0.00 -1.10 -1.41 105.19 108.46 3ga9 n GLY 426 Ca -0.18 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 3ga9 n GLY 426 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ga9 s SER 427 N -3.33 -0.35 1.01 1.61 0.15 -1.26 -2.43 113.70 109.09 3ga9 s SER 427 Ca 0.25 0.47 -0.13 0.00 0.70 0.00 0.00 55.95 57.24 3ga9 s SER 427 Cb -0.00 0.40 0.18 0.00 -1.71 0.00 0.00 66.02 64.89 3ga9 s SER 427 CO -0.01 -0.27 1.03 -0.81 1.20 0.00 0.00 173.24 174.38 3ga9 n PRO 428 N 1.07 -1.10 0.00 5.44 -0.04 -1.26 -4.75 135.00 134.37 3ga9 n PRO 428 Ca -0.10 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.77 3ga9 n PRO 428 Cb 0.57 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 3ga9 n PRO 428 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ga9 n GLY 429 N -1.83 1.69 7.00 0.55 0.00 -1.26 -4.18 105.19 107.17 3ga9 n GLY 429 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3ga9 n GLY 429 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ga9 n GLY 430 N 0.00 3.75 0.09 -0.02 0.00 -1.26 -1.66 105.19 106.09 3ga9 n GLY 430 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.06 3ga9 n GLY 430 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ga9 n ASN 431 N 5.81 0.26 -0.59 1.61 2.04 -1.26 -2.79 115.26 120.34 3ga9 n ASN 431 Ca 0.00 -1.71 0.11 0.00 -0.44 0.00 0.00 54.58 52.55 3ga9 n ASN 431 Cb 0.00 -0.02 0.06 0.00 -2.53 0.00 0.00 39.78 37.29 3ga9 n ASN 431 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3ga9 n ARG 432 N -0.50 1.47 -0.00 -3.83 1.74 -0.66 -4.64 116.66 110.24 3ga9 n ARG 432 Ca 0.09 -1.19 -0.15 0.00 -0.77 0.00 0.00 57.85 55.82 3ga9 n ARG 432 Cb 0.08 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 3ga9 n ARG 432 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3ga9 h ILE 433 N 2.91 0.00 0.00 0.55 2.04 -1.62 0.26 117.51 121.66 3ga9 h ILE 433 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3ga9 h ILE 433 Cb 0.79 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3ga9 h ILE 433 CO 0.00 0.00 -0.08 1.55 0.00 0.00 0.00 178.15 179.62 3ga9 h PRO 434 N -0.59 0.00 -0.17 2.37 0.13 -1.83 -1.57 132.00 130.34 3ga9 h PRO 434 Ca 0.03 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.01 3ga9 h PRO 434 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 3ga9 h PRO 434 CO -0.43 0.08 -0.52 1.96 -0.23 0.00 0.00 178.00 178.85 3ga9 h GLN 435 N 0.00 0.48 -0.45 0.86 4.20 -1.38 -1.32 115.11 117.51 3ga9 h GLN 435 Ca -0.00 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.37 3ga9 h GLN 435 Cb 0.14 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3ga9 h GLN 435 CO 0.01 0.89 0.09 0.82 -0.67 0.00 0.00 178.83 179.97 3ga9 h ILE 436 N 0.38 1.24 0.05 2.54 2.04 0.16 -3.36 117.51 120.56 3ga9 h ILE 436 Ca 0.01 -0.87 -0.28 0.00 1.00 0.00 0.00 64.86 64.72 3ga9 h ILE 436 Cb 1.04 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 3ga9 h ILE 436 CO 0.09 0.31 -1.49 -0.07 0.00 0.00 0.00 178.15 176.99 3ga9 h LEU 437 N 0.61 0.15 0.25 1.44 3.38 -1.21 -3.36 115.31 116.57 3ga9 h LEU 437 Ca 0.14 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3ga9 h LEU 437 Cb 0.36 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3ga9 h LEU 437 CO 0.01 1.20 -0.36 0.74 0.09 0.00 0.00 178.44 180.12 3ga9 h THR 438 N 0.03 0.27 -0.96 0.22 2.02 -1.38 -1.10 112.91 112.00 3ga9 h THR 438 Ca -0.21 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.04 3ga9 h THR 438 Cb 1.96 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 68.56 3ga9 h THR 438 CO 0.12 0.00 0.62 -0.65 0.37 0.00 0.00 175.52 175.98 3ga9 h PRO 439 N -0.67 1.05 -0.34 6.66 0.11 -1.73 0.13 132.00 137.20 3ga9 h PRO 439 Ca -0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 3ga9 h PRO 439 Cb 0.64 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3ga9 h PRO 439 CO -0.13 0.69 0.07 0.82 -0.21 0.00 0.00 178.00 179.25 3ga9 h ILE 440 N 1.08 1.23 -0.22 4.15 2.04 -1.65 0.17 117.51 124.30 3ga9 h ILE 440 Ca 0.42 -0.77 -0.20 0.00 1.00 0.00 0.00 64.86 65.31 3ga9 h ILE 440 Cb 0.24 1.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3ga9 h ILE 440 CO -0.17 0.26 -0.64 -0.07 0.00 0.00 0.00 178.15 177.53 3ga9 h LEU 441 N 0.39 0.95 0.22 1.44 4.07 -0.81 -0.36 115.31 121.21 3ga9 h LEU 441 Ca 0.11 -0.58 -0.00 0.00 0.08 0.00 0.00 57.88 57.48 3ga9 h LEU 441 Cb 0.32 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 3ga9 h LEU 441 CO 0.00 1.36 -0.32 -0.78 -1.08 0.00 0.00 178.44 177.63 3ga9 h ASP 442 N 0.59 -0.91 -0.74 -0.43 3.58 -0.68 0.15 116.42 117.97 3ga9 h ASP 442 Ca -0.02 0.08 0.15 0.00 0.42 0.00 0.00 57.03 57.67 3ga9 h ASP 442 Cb 1.26 0.32 -0.11 0.00 1.72 0.00 0.00 39.33 42.52 3ga9 h ASP 442 CO 0.14 -0.39 0.21 0.11 -2.88 0.00 0.00 179.24 176.43 3ga9 h LYS 443 N -0.56 0.30 -0.22 0.28 1.57 -0.70 -1.86 116.57 115.38 3ga9 h LYS 443 Ca -0.03 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3ga9 h LYS 443 Cb 0.51 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3ga9 h LYS 443 CO -0.10 0.20 0.03 -0.92 -0.57 0.00 0.00 179.45 178.10 3ga9 h TYR 444 N 0.31 0.40 -0.02 -1.35 3.20 -0.75 -2.23 116.97 116.53 3ga9 h TYR 444 Ca 0.41 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 62.13 3ga9 h TYR 444 Cb 0.69 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3ga9 h TYR 444 CO -0.23 0.52 -0.43 1.79 -1.64 0.00 0.00 178.16 178.16 3ga9 h THR 445 N 0.17 1.31 -0.25 1.81 1.35 -0.42 -2.77 112.91 114.11 3ga9 h THR 445 Ca 0.07 -1.51 -0.14 0.00 -0.55 0.00 0.00 66.41 64.28 3ga9 h THR 445 Cb 0.34 1.79 -0.08 0.00 -1.73 0.00 0.00 68.15 68.46 3ga9 h THR 445 CO 0.01 0.43 0.18 1.41 -0.25 0.00 0.00 175.52 177.30 3ga9 n HIS 446 N -4.02 0.79 -1.24 4.73 8.25 -0.73 -4.87 115.22 118.13 3ga9 n HIS 446 Ca -0.02 -0.96 -0.08 0.00 -0.26 0.00 0.00 57.72 56.40 3ga9 n HIS 446 Cb 0.47 -0.48 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 3ga9 n HIS 446 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ga9 n GLY 447 N 0.23 0.80 0.00 -1.41 0.00 -1.05 -4.89 105.19 98.88 3ga9 n GLY 447 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.19 3ga9 n GLY 447 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ga9 n LYS 448 N -0.47 0.05 -0.33 1.61 4.81 -0.85 -4.95 118.16 118.02 3ga9 n LYS 448 Ca -0.08 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 3ga9 n LYS 448 Cb 0.56 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.11 3ga9 n LYS 448 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ga9 n GLY 449 N -0.82 0.77 3.77 3.14 0.00 -1.26 -5.00 105.19 105.78 3ga9 n GLY 449 Ca 0.02 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 3ga9 n GLY 449 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ga9 s SER 450 N -2.48 6.00 0.25 1.61 1.04 -1.26 -4.84 113.70 114.02 3ga9 s SER 450 Ca 0.00 2.44 -0.03 0.00 0.48 0.00 0.00 55.95 58.84 3ga9 s SER 450 Cb 0.00 -2.61 0.43 0.00 0.10 0.00 0.00 66.02 63.93 3ga9 s SER 450 CO 0.00 -1.04 1.81 0.25 0.98 0.00 0.00 173.24 175.23 3ga9 h LEU 451 N 2.01 0.69 -0.42 2.42 5.85 -1.98 -1.14 115.31 122.74 3ga9 h LEU 451 Ca -0.50 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.28 3ga9 h LEU 451 Cb 1.26 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3ga9 h LEU 451 CO 0.60 0.38 0.28 -0.61 -0.34 0.00 0.00 178.44 178.75 3ga9 h GLN 452 N 0.80 0.55 -0.58 1.25 5.75 -1.91 -0.46 115.11 120.51 3ga9 h GLN 452 Ca 0.41 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.98 3ga9 h GLN 452 Cb 0.40 -0.12 -0.08 0.00 1.07 0.00 0.00 27.48 28.75 3ga9 h GLN 452 CO -0.26 0.37 0.15 -0.44 -2.65 0.00 0.00 178.83 176.00 3ga9 h ASP 453 N 0.57 0.06 -0.49 -0.69 3.32 -1.61 -1.81 116.42 115.76 3ga9 h ASP 453 Ca 0.16 0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 3ga9 h ASP 453 Cb -0.06 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3ga9 h ASP 453 CO -0.04 0.05 -0.15 0.40 -1.72 0.00 0.00 179.24 177.78 3ga9 h ILE 454 N 0.29 1.27 -0.65 0.35 2.04 -0.37 -1.94 117.51 118.49 3ga9 h ILE 454 Ca 0.30 -1.30 0.13 0.00 1.00 0.00 0.00 64.86 64.99 3ga9 h ILE 454 Cb 0.42 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3ga9 h ILE 454 CO -0.36 0.45 0.44 0.40 0.00 0.00 0.00 178.15 179.09 3ga9 h ILE 455 N 0.83 0.81 0.00 -0.67 5.03 -0.77 -1.72 117.51 121.03 3ga9 h ILE 455 Ca 0.12 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.75 3ga9 h ILE 455 Cb 0.72 0.47 0.00 0.00 -3.03 0.00 0.00 36.82 34.98 3ga9 h ILE 455 CO 0.06 0.06 0.00 0.78 -0.68 0.00 0.00 178.15 178.36 3ga9 h ASN 456 N 0.31 0.00 -3.93 1.72 -0.26 -0.53 -3.46 115.58 109.44 3ga9 h ASN 456 Ca 0.31 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.52 3ga9 h ASN 456 Cb 0.79 0.00 0.09 0.00 -1.06 0.00 0.00 38.32 38.14 3ga9 h ASN 456 CO -0.08 0.00 0.71 -1.61 -1.06 0.00 0.00 177.43 175.39 3ga9 s GLU 457 N -3.33 4.14 0.86 0.81 2.02 -0.65 -4.97 118.70 117.58 3ga9 s GLU 457 Ca 0.06 2.40 -0.12 0.00 0.02 0.00 0.00 54.97 57.33 3ga9 s GLU 457 Cb 0.08 -2.96 0.11 0.00 0.10 0.00 0.00 34.13 31.47 3ga9 s GLU 457 CO 0.57 -0.44 1.14 0.66 0.02 0.00 0.00 175.26 177.22 3ga9 n TYR 458 N 0.48 0.98 -4.19 1.61 4.01 -1.26 -5.02 117.16 113.77 3ga9 n TYR 458 Ca 0.01 0.40 -0.11 0.00 -0.16 0.00 0.00 57.90 58.04 3ga9 n TYR 458 Cb 0.41 -2.05 -0.10 0.00 -0.31 0.00 0.00 39.34 37.29 3ga9 n TYR 458 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3ga9 s ARG 459 N -4.32 0.93 -0.05 -0.72 0.52 -1.26 -5.00 118.95 109.06 3ga9 s ARG 459 Ca 0.70 -1.41 -0.13 0.00 -0.52 0.00 0.00 55.73 54.37 3ga9 s ARG 459 Cb -0.26 -0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.06 3ga9 s ARG 459 CO 0.55 -0.08 0.29 -0.59 0.02 0.00 0.00 175.30 175.48 3ga9 s PHE 460 N -3.69 -0.21 0.07 -0.53 -0.71 -1.26 -0.44 117.98 111.21 3ga9 s PHE 460 Ca 0.17 0.40 0.01 0.00 -1.04 0.00 0.00 56.93 56.47 3ga9 s PHE 460 Cb 0.06 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 3ga9 s PHE 460 CO -0.01 -0.30 -0.05 0.95 -1.34 0.00 0.00 175.22 174.46 3ga9 s THR 461 N -0.85 0.47 -0.08 -4.49 -4.23 -0.04 -4.83 115.64 101.59 3ga9 s THR 461 Ca -0.09 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 3ga9 s THR 461 Cb -0.05 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.47 3ga9 s THR 461 CO 0.03 -0.79 -0.10 -0.36 -0.54 0.00 0.00 174.62 172.86 3ga9 s PHE 462 N -3.10 2.85 -0.40 3.99 0.40 -1.26 0.11 117.98 120.57 3ga9 s PHE 462 Ca 0.04 -0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 3ga9 s PHE 462 Cb 0.02 -1.73 0.12 0.00 0.51 0.00 0.00 43.02 41.94 3ga9 s PHE 462 CO -0.05 0.16 0.18 -2.00 0.70 0.00 0.00 175.22 174.21 3ga9 s GLU 463 N -0.48 1.23 -0.79 0.44 2.56 0.19 -4.97 118.70 116.87 3ga9 s GLU 463 Ca 0.07 -1.80 -0.01 0.00 0.00 0.00 0.00 54.97 53.23 3ga9 s GLU 463 Cb -0.12 -2.47 0.00 0.00 2.00 0.00 0.00 34.13 33.54 3ga9 s GLU 463 CO 0.02 -1.08 0.63 1.63 -0.56 0.00 0.00 175.26 175.91 3ga9 n LYS 464 N 3.95 -1.49 -0.95 4.30 4.01 -1.26 -2.25 118.16 124.47 3ga9 n LYS 464 Ca 0.05 1.02 0.00 0.00 -0.51 0.00 0.00 58.31 58.86 3ga9 n LYS 464 Cb 0.37 -3.43 0.00 0.00 -0.51 0.00 0.00 35.03 31.46 3ga9 n LYS 464 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3ga9 n ASN 465 N -2.29 -1.67 -4.35 4.39 5.03 -1.26 -5.00 115.26 110.11 3ga9 n ASN 465 Ca -0.21 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 54.89 3ga9 n ASN 465 Cb 0.63 -0.72 -0.14 0.00 -1.02 0.00 0.00 39.78 38.54 3ga9 n ASN 465 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3ga9 s THR 466 N -2.69 3.57 -0.25 3.41 2.01 -0.95 -1.23 115.64 119.51 3ga9 s THR 466 Ca 0.00 -0.43 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 3ga9 s THR 466 Cb 0.00 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 3ga9 s THR 466 CO 0.00 0.41 0.58 0.00 -0.69 0.00 0.00 174.62 174.92 3ga9 s ALA 467 N 1.43 3.59 -0.15 7.40 0.00 -1.24 -0.64 121.76 132.15 3ga9 s ALA 467 Ca 0.05 -0.48 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 3ga9 s ALA 467 Cb -0.14 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 3ga9 s ALA 467 CO -0.01 -0.73 0.31 0.71 0.00 0.00 0.00 175.76 176.04 3ga9 s TYR 468 N 2.32 3.47 0.02 0.00 2.02 0.29 0.30 117.35 125.77 3ga9 s TYR 468 Ca 0.24 0.64 0.07 0.00 -0.37 0.00 0.00 57.07 57.65 3ga9 s TYR 468 Cb -0.16 -2.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.02 3ga9 s TYR 468 CO 0.09 0.24 -0.19 0.99 -1.57 0.00 0.00 175.55 175.11 3ga9 s THR 469 N 0.44 2.66 -0.06 -0.71 2.01 0.17 -0.86 115.64 119.29 3ga9 s THR 469 Ca 0.18 -1.14 -0.26 0.00 0.31 0.00 0.00 61.69 60.78 3ga9 s THR 469 Cb -0.13 -2.08 -0.22 0.00 0.01 0.00 0.00 72.50 70.07 3ga9 s THR 469 CO 0.05 0.40 1.07 -0.08 -0.69 0.00 0.00 174.62 175.37 3ga9 h GLU 470 N 4.79 0.10 -6.29 4.92 4.81 -1.04 0.12 114.58 121.98 3ga9 h GLU 470 Ca -0.47 -0.09 -0.69 0.00 -0.13 0.00 0.00 59.36 57.98 3ga9 h GLU 470 Cb 1.15 0.02 -0.23 0.00 0.63 0.00 0.00 28.75 30.32 3ga9 h GLU 470 CO 0.47 0.79 -0.76 -1.50 -0.73 0.00 0.00 179.01 177.29 3ga9 s ILE 471 N -3.35 3.12 0.27 2.32 -1.16 -1.26 -4.62 121.20 116.52 3ga9 s ILE 471 Ca -0.16 -0.70 -0.30 0.00 -0.51 0.00 0.00 60.65 58.98 3ga9 s ILE 471 Cb 0.01 -2.23 -0.10 0.00 0.61 0.00 0.00 42.46 40.75 3ga9 s ILE 471 CO 0.71 0.59 1.38 -1.58 -2.81 0.00 0.00 174.94 173.23 3ga9 s GLN 472 N -0.72 4.31 0.30 3.50 0.74 -1.26 -4.99 119.66 121.54 3ga9 s GLN 472 Ca 0.11 2.24 0.07 0.00 0.05 0.00 0.00 55.36 57.83 3ga9 s GLN 472 Cb -0.11 -3.11 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 3ga9 s GLN 472 CO 0.01 -0.32 0.28 -0.51 -0.55 0.00 0.00 175.29 174.20 3ga9 s LEU 473 N -0.78 3.75 0.77 3.68 1.43 -1.26 -5.12 118.68 121.16 3ga9 s LEU 473 Ca 0.56 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 3ga9 s LEU 473 Cb -0.40 -2.35 0.06 0.00 0.03 0.00 0.00 46.19 43.53 3ga9 s LEU 473 CO 0.46 -0.24 1.11 -0.94 0.23 0.00 0.00 176.35 176.96 3ga9 s SER 474 N -3.96 4.35 0.14 2.29 1.04 -1.26 -4.84 113.70 111.46 3ga9 s SER 474 Ca 0.38 1.92 -0.24 0.00 0.48 0.00 0.00 55.95 58.49 3ga9 s SER 474 Cb -0.07 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 3ga9 s SER 474 CO 0.27 -2.14 1.63 0.77 0.98 0.00 0.00 173.24 174.75 3ga9 h SER 475 N -1.04 -0.78 -0.23 7.02 4.64 -1.99 -0.17 113.55 121.00 3ga9 h SER 475 Ca -0.44 0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.02 3ga9 h SER 475 Cb 1.24 0.34 -0.03 0.00 -0.31 0.00 0.00 62.40 63.64 3ga9 h SER 475 CO 0.50 -0.30 -0.14 1.21 -0.87 0.00 0.00 176.83 177.23 3ga9 n GLU 476 N -5.38 -0.10 -0.14 4.77 4.07 -1.26 -0.90 120.64 121.70 3ga9 n GLU 476 Ca -0.03 0.96 -0.07 0.00 -0.06 0.00 0.00 57.16 57.96 3ga9 n GLU 476 Cb 0.29 -1.43 0.01 0.00 -0.06 0.00 0.00 31.44 30.26 3ga9 n GLU 476 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3ga9 h VAL 477 N 0.00 1.08 -0.35 6.31 2.07 -1.90 -2.68 116.25 120.77 3ga9 h VAL 477 Ca 0.04 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3ga9 h VAL 477 Cb 0.09 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3ga9 h VAL 477 CO -0.22 0.10 0.24 0.11 0.02 0.00 0.00 177.57 177.82 3ga9 h LYS 478 N 0.55 0.17 0.04 1.57 1.57 -0.08 -2.27 116.57 118.12 3ga9 h LYS 478 Ca 0.17 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3ga9 h LYS 478 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3ga9 h LYS 478 CO -0.06 0.11 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.00 3ga9 h ASN 479 N 0.18 -0.05 -0.83 0.86 2.35 -0.77 -1.81 115.58 115.51 3ga9 h ASN 479 Ca 0.16 -0.59 0.18 0.00 -0.55 0.00 0.00 56.30 55.49 3ga9 h ASN 479 Cb 0.40 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.72 3ga9 h ASN 479 CO -0.02 0.60 0.55 -0.33 -1.65 0.00 0.00 177.43 176.58 3ga9 h GLU 480 N -0.74 0.40 0.00 0.81 5.08 -1.15 0.87 114.58 119.85 3ga9 h GLU 480 Ca -0.01 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.08 3ga9 h GLU 480 Cb 0.64 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 3ga9 h GLU 480 CO 0.01 0.27 -1.38 -0.07 -1.00 0.00 0.00 179.01 176.84 3ga9 h LEU 481 N 0.42 0.00 -1.00 1.33 3.38 -1.50 -3.24 115.31 114.69 3ga9 h LEU 481 Ca 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 3ga9 h LEU 481 Cb 1.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3ga9 h LEU 481 CO -0.15 0.97 0.43 -1.28 0.09 0.00 0.00 178.44 178.50 3ga9 h SER 482 N 0.00 1.02 0.02 -0.43 0.87 -0.26 -2.01 113.55 112.75 3ga9 h SER 482 Ca -0.16 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3ga9 h SER 482 Cb 1.88 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 63.58 3ga9 h SER 482 CO 0.10 0.82 -0.00 0.03 -0.53 0.00 0.00 176.83 177.25 3ga9 h ARG 483 N 1.14 0.00 -0.59 2.24 3.08 -0.92 -1.99 114.38 117.34 3ga9 h ARG 483 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3ga9 h ARG 483 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3ga9 h ARG 483 CO -0.04 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.49 3ga9 n LYS 484 N -3.17 3.50 -0.68 0.04 5.02 -0.94 -4.92 118.16 117.00 3ga9 n LYS 484 Ca -0.03 -2.78 0.00 0.00 -2.02 0.00 0.00 58.31 53.48 3ga9 n LYS 484 Cb 0.08 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 3ga9 n LYS 484 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ga9 n GLY 485 N 0.97 0.70 3.83 0.72 0.00 -0.75 -5.05 105.19 105.61 3ga9 n GLY 485 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 3ga9 n GLY 485 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ga9 s LEU 486 N 0.00 4.33 -0.48 0.99 1.43 -0.80 -4.82 118.68 119.33 3ga9 s LEU 486 Ca 0.00 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 3ga9 s LEU 486 Cb 0.00 -2.07 0.13 0.00 0.03 0.00 0.00 46.19 44.27 3ga9 s LEU 486 CO 0.00 0.34 0.24 0.54 0.23 0.00 0.00 176.35 177.70 3ga9 s ASN 487 N -0.60 4.82 0.06 2.29 2.20 -0.36 -3.23 114.94 120.12 3ga9 s ASN 487 Ca 0.13 -2.58 -0.37 0.00 -0.94 0.00 0.00 52.86 49.10 3ga9 s ASN 487 Cb -0.12 -1.72 -0.19 0.00 -2.00 0.00 0.00 41.25 37.22 3ga9 s ASN 487 CO 0.02 -0.36 1.00 0.52 -2.94 0.00 0.00 177.10 175.34 3ga9 n VAL 488 N 3.76 0.47 -3.83 3.54 0.31 -1.26 -3.70 118.33 117.62 3ga9 n VAL 488 Ca 0.04 -0.12 -0.20 0.00 -0.01 0.00 0.00 64.34 64.05 3ga9 n VAL 488 Cb 0.38 -0.16 -0.17 0.00 -0.91 0.00 0.00 33.84 32.97 3ga9 n VAL 488 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3ga9 s LYS 489 N -0.18 0.39 0.12 5.55 2.47 0.15 -4.90 119.74 123.34 3ga9 s LYS 489 Ca 0.83 0.14 -0.25 0.00 -1.56 0.00 0.00 55.97 55.13 3ga9 s LYS 489 Cb -1.13 -0.72 -0.07 0.00 -1.46 0.00 0.00 37.83 34.45 3ga9 s LYS 489 CO 0.55 -0.24 0.76 0.21 0.16 0.00 0.00 175.35 176.80 3ga9 s LYS 490 N 1.64 4.53 -0.04 4.03 2.20 -1.26 0.44 119.74 131.27 3ga9 s LYS 490 Ca -0.01 1.11 0.03 0.00 -0.36 0.00 0.00 55.97 56.74 3ga9 s LYS 490 Cb -0.13 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3ga9 s LYS 490 CO -0.03 0.49 -0.11 0.21 -0.36 0.00 0.00 175.35 175.55 3ga9 s LYS 491 N -0.81 2.55 -0.02 4.03 2.20 0.43 -4.83 119.74 123.29 3ga9 s LYS 491 Ca 0.36 -0.68 -0.22 0.00 -0.36 0.00 0.00 55.97 55.08 3ga9 s LYS 491 Cb -0.22 -2.45 -0.24 0.00 -1.51 0.00 0.00 37.83 33.41 3ga9 s LYS 491 CO 0.25 0.63 1.07 0.28 -0.36 0.00 0.00 175.35 177.21 3ga9 h VAL 492 N 4.18 1.48 -2.75 4.02 2.07 -1.91 -3.44 116.25 119.89 3ga9 h VAL 492 Ca -0.48 -2.04 -0.57 0.00 0.82 0.00 0.00 66.70 64.44 3ga9 h VAL 492 Cb 1.16 2.68 -0.03 0.00 -1.52 0.00 0.00 31.29 33.58 3ga9 h VAL 492 CO 0.51 0.58 1.14 -0.55 0.02 0.00 0.00 177.57 179.28 3ga9 s SER 493 N -6.58 6.33 0.27 0.57 0.15 -1.26 -4.91 113.70 108.27 3ga9 s SER 493 Ca -0.14 1.61 0.03 0.00 0.70 0.00 0.00 55.95 58.14 3ga9 s SER 493 Cb 0.02 -2.53 0.38 0.00 -1.71 0.00 0.00 66.02 62.18 3ga9 s SER 493 CO 0.79 -1.30 1.68 -0.65 1.20 0.00 0.00 173.24 174.96 3ga9 h PRO 494 N 10.95 0.40 0.00 5.44 0.11 -1.90 -2.53 132.00 144.47 3ga9 h PRO 494 Ca -0.34 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ga9 h PRO 494 Cb 1.16 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ga9 h PRO 494 CO 1.00 0.71 -0.00 0.00 -0.21 0.00 0.00 178.00 179.50 3ga9 h ALA 495 N 1.28 1.57 -0.77 -0.75 0.00 -1.83 -2.45 119.26 116.31 3ga9 h ALA 495 Ca 0.04 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.14 3ga9 h ALA 495 Cb 0.80 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3ga9 h ALA 495 CO 0.06 0.00 0.53 0.35 0.00 0.00 0.00 179.25 180.20 3ga9 h PHE 496 N 0.00 0.26 -0.48 0.00 3.57 -1.85 -1.95 116.94 116.48 3ga9 h PHE 496 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3ga9 h PHE 496 Cb 0.01 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.67 3ga9 h PHE 496 CO 0.00 0.08 0.00 1.19 -2.23 0.00 0.00 178.31 177.35 3ga9 n PHE 497 N -4.41 0.94 0.00 0.41 3.72 -0.92 -4.92 117.46 112.28 3ga9 n PHE 497 Ca 0.16 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3ga9 n PHE 497 Cb 0.70 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 3ga9 n PHE 497 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ga9 n GLY 498 N 1.04 -1.42 2.74 1.37 0.00 -0.74 -4.88 105.19 103.30 3ga9 n GLY 498 Ca 0.18 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.05 3ga9 n GLY 498 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ga9 n GLY 499 N 0.00 -0.37 3.71 -0.02 0.00 -1.26 -4.62 105.19 102.63 3ga9 n GLY 499 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 3ga9 n GLY 499 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ga9 s VAL 500 N 0.71 4.81 -0.04 1.61 1.01 -1.26 -4.09 120.40 123.15 3ga9 s VAL 500 Ca 0.31 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.35 3ga9 s VAL 500 Cb 0.16 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.23 3ga9 s VAL 500 CO -0.17 0.19 -0.11 -1.10 0.00 0.00 0.00 175.10 173.91 3ga9 s GLN 501 N 0.81 1.29 -0.01 2.72 -1.52 -1.02 -2.57 119.66 119.35 3ga9 s GLN 501 Ca 0.51 -0.37 -0.18 0.00 -1.95 0.00 0.00 55.36 53.36 3ga9 s GLN 501 Cb -0.21 -1.14 0.03 0.00 -0.22 0.00 0.00 33.01 31.47 3ga9 s GLN 501 CO 0.28 0.10 0.39 0.00 -0.25 0.00 0.00 175.29 175.81 3ga9 s ALA 502 N 0.33 -0.99 0.12 6.09 0.00 -0.96 -2.71 121.76 123.65 3ga9 s ALA 502 Ca -0.07 0.50 0.07 0.00 0.00 0.00 0.00 51.96 52.46 3ga9 s ALA 502 Cb -0.11 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 3ga9 s ALA 502 CO 0.02 -0.31 -0.16 -0.51 0.00 0.00 0.00 175.76 174.80 3ga9 s LEU 503 N -1.40 2.38 -0.09 0.00 1.43 -0.45 -1.28 118.68 119.27 3ga9 s LEU 503 Ca -0.12 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 3ga9 s LEU 503 Cb -0.04 -0.66 0.02 0.00 0.03 0.00 0.00 46.19 45.55 3ga9 s LEU 503 CO 0.04 -0.08 -0.07 -0.63 0.23 0.00 0.00 176.35 175.85 3ga9 s ILE 504 N -1.85 0.87 -0.21 -0.59 1.01 0.45 -2.03 121.20 118.84 3ga9 s ILE 504 Ca 0.09 -0.24 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 3ga9 s ILE 504 Cb -0.07 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 3ga9 s ILE 504 CO 0.04 0.33 0.10 -0.75 0.00 0.00 0.00 174.94 174.66 3ga9 s LYS 505 N 1.41 3.99 0.38 2.79 2.20 0.14 -0.50 119.74 130.14 3ga9 s LYS 505 Ca -0.02 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 55.35 3ga9 s LYS 505 Cb -0.13 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 3ga9 s LYS 505 CO -0.04 0.15 0.20 0.16 -0.36 0.00 0.00 175.35 175.46 3ga9 s ASP 506 N 0.75 4.69 -0.66 1.43 -4.77 -0.67 0.29 116.67 117.73 3ga9 s ASP 506 Ca 0.05 -0.85 -0.02 0.00 -3.30 0.00 0.00 52.55 48.43 3ga9 s ASP 506 Cb -0.13 -0.63 0.43 0.00 -1.09 0.00 0.00 42.92 41.50 3ga9 s ASP 506 CO 0.02 -0.44 2.04 -0.62 0.70 0.00 0.00 175.17 176.87 3ga9 n GLU 507 N -1.25 2.64 -3.37 2.11 4.71 -1.18 -3.14 120.64 121.16 3ga9 n GLU 507 Ca -0.01 -3.19 -0.26 0.00 -0.01 0.00 0.00 57.16 53.68 3ga9 n GLU 507 Cb 0.62 -2.25 -0.09 0.00 -1.01 0.00 0.00 31.44 28.72 3ga9 n GLU 507 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 3ga9 n ARG 508 N -0.81 0.62 -2.69 3.49 0.63 -1.26 -4.85 116.66 111.79 3ga9 n ARG 508 Ca 0.60 -3.38 -0.06 0.00 -0.92 0.00 0.00 57.85 54.09 3ga9 n ARG 508 Cb 0.63 -1.60 0.09 0.00 0.45 0.00 0.00 32.46 32.03 3ga9 n ARG 508 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3ga9 n ASP 509 N 2.18 -1.76 -4.90 6.15 5.75 -1.26 -4.00 116.55 118.70 3ga9 n ASP 509 Ca 0.26 -2.65 -0.23 0.00 -0.01 0.00 0.00 54.79 52.16 3ga9 n ASP 509 Cb 0.48 1.42 -0.03 0.00 -1.03 0.00 0.00 41.12 41.96 3ga9 n ASP 509 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3ga9 s ASN 510 N -0.78 6.01 -0.07 -1.12 0.01 -1.26 -5.18 114.94 112.55 3ga9 s ASN 510 Ca 0.19 -0.02 0.04 0.00 -0.71 0.00 0.00 52.86 52.36 3ga9 s ASN 510 Cb 0.28 -1.70 0.00 0.00 0.41 0.00 0.00 41.25 40.25 3ga9 s ASN 510 CO -0.10 -0.02 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.61 3ga9 s VAL 511 N -1.94 1.50 -0.13 1.60 1.01 -1.19 -5.01 120.40 116.25 3ga9 s VAL 511 Ca 0.33 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 3ga9 s VAL 511 Cb -0.09 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3ga9 s VAL 511 CO 0.27 0.43 0.05 -0.63 0.00 0.00 0.00 175.10 175.22 3ga9 s ILE 512 N 0.35 4.70 0.37 2.22 1.01 -1.26 -1.67 121.20 126.92 3ga9 s ILE 512 Ca -0.12 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.49 3ga9 s ILE 512 Cb -0.15 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3ga9 s ILE 512 CO 0.05 0.55 0.18 0.42 0.00 0.00 0.00 174.94 176.14 3ga9 s THR 513 N -0.40 0.36 0.00 2.92 -4.23 0.34 -4.81 115.64 109.82 3ga9 s THR 513 Ca 0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3ga9 s THR 513 Cb -0.12 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.30 3ga9 s THR 513 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3ga9 n GLY 514 N -0.76 0.71 3.06 3.99 0.00 -1.26 0.17 105.19 111.09 3ga9 n GLY 514 Ca -0.01 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 3ga9 n GLY 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ga9 s ALA 515 N -1.00 -0.36 0.04 4.61 0.00 -0.41 -4.27 121.76 120.38 3ga9 s ALA 515 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.22 3ga9 s ALA 515 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3ga9 s ALA 515 CO 0.00 -0.12 -0.13 0.20 0.00 0.00 0.00 175.76 175.71 3ga9 s GLY 516 N -0.46 0.73 -0.41 0.00 0.00 -1.26 -2.26 107.32 103.65 3ga9 s GLY 516 Ca -0.06 -0.80 -0.17 0.00 0.00 0.00 0.00 44.72 43.70 3ga9 s GLY 516 CO 0.01 -0.79 0.43 -0.35 0.00 0.00 0.00 173.10 172.40 3ga9 s ASP 517 N -1.18 6.19 0.19 1.64 -1.08 -1.06 -4.70 116.67 116.67 3ga9 s ASP 517 Ca -0.00 -0.64 0.15 0.00 -0.52 0.00 0.00 52.55 51.54 3ga9 s ASP 517 Cb -0.08 -2.22 0.74 0.00 -1.46 0.00 0.00 42.92 39.90 3ga9 s ASP 517 CO 0.01 -0.56 1.45 0.61 0.52 0.00 0.00 175.17 177.20 3ga9 n GLY 518 N 5.10 -0.83 0.27 2.66 0.00 -1.26 -0.26 105.19 110.88 3ga9 n GLY 518 Ca -0.07 0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.22 3ga9 n GLY 518 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ga9 h ARG 519 N 0.00 0.00 0.00 1.61 3.08 -1.90 -2.64 114.38 114.53 3ga9 h ARG 519 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3ga9 h ARG 519 Cb 0.08 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.03 3ga9 h ARG 519 CO 0.00 0.00 -0.60 0.54 -1.07 0.00 0.00 179.97 178.84 3ga9 n ARG 520 N -3.09 1.16 -3.82 0.04 1.74 -0.77 -4.23 116.66 107.69 3ga9 n ARG 520 Ca 0.01 -2.91 -0.23 0.00 -0.77 0.00 0.00 57.85 53.95 3ga9 n ARG 520 Cb 0.33 -1.20 0.01 0.00 -1.02 0.00 0.00 32.46 30.57 3ga9 n ARG 520 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3ga9 n ASN 521 N -0.73 -0.78 -4.97 0.55 2.85 -1.00 -4.98 115.26 106.21 3ga9 n ASN 521 Ca 0.15 -0.91 -0.21 0.00 -0.11 0.00 0.00 54.58 53.50 3ga9 n ASN 521 Cb 0.80 -3.56 -0.01 0.00 1.24 0.00 0.00 39.78 38.25 3ga9 n ASN 521 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3ga9 s GLY 522 N -4.36 1.39 0.37 8.20 0.00 0.65 -4.95 107.32 108.61 3ga9 s GLY 522 Ca 0.01 -1.21 -0.14 0.00 0.00 0.00 0.00 44.72 43.38 3ga9 s GLY 522 CO 0.85 -1.16 0.74 -0.37 0.00 0.00 0.00 173.10 173.16 3ga9 n THR 523 N -1.64 0.00 -3.43 0.90 5.66 -1.26 -3.91 114.28 110.60 3ga9 n THR 523 Ca -0.04 -0.93 -0.11 0.00 -3.05 0.00 0.00 64.05 59.91 3ga9 n THR 523 Cb 0.57 0.93 -0.02 0.00 -1.55 0.00 0.00 70.33 70.26 3ga9 n THR 523 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 3ga9 s TRP 524 N -2.61 -0.51 0.01 1.09 1.48 -1.26 -4.52 118.94 112.62 3ga9 s TRP 524 Ca 0.15 0.31 -0.16 0.00 -1.06 0.00 0.00 56.10 55.34 3ga9 s TRP 524 Cb -0.05 0.56 0.03 0.00 -1.16 0.00 0.00 33.47 32.85 3ga9 s TRP 524 CO 0.11 -0.80 0.35 0.15 -4.06 0.00 0.00 176.95 172.70 3ga9 s LYS 525 N -3.65 0.79 0.06 3.25 1.02 -1.26 -5.05 119.74 114.89 3ga9 s LYS 525 Ca 0.02 -0.29 -0.02 0.00 0.02 0.00 0.00 55.97 55.69 3ga9 s LYS 525 Cb -0.01 0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 37.62 3ga9 s LYS 525 CO -0.12 -0.24 0.01 -1.54 -0.92 0.00 0.00 175.35 172.53 3ga9 s SER 526 N -1.67 0.42 0.00 2.83 1.04 -1.26 -5.05 113.70 110.01 3ga9 s SER 526 Ca -0.09 -0.93 0.16 0.00 0.48 0.00 0.00 55.95 55.57 3ga9 s SER 526 Cb -0.03 0.22 0.96 0.00 0.10 0.00 0.00 66.02 67.27 3ga9 s SER 526 CO 0.01 -0.62 1.37 -0.46 0.98 0.00 0.00 173.24 174.52