#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3c n GLN 417 N 0.00 2.09 -2.24 -0.52 6.02 -1.26 -5.08 117.38 116.39 3h3c n GLN 417 Ca 0.00 -4.56 -0.36 0.00 -0.01 0.00 0.00 57.00 52.07 3h3c n GLN 417 Cb 0.00 -2.28 -0.00 0.00 1.02 0.00 0.00 30.24 28.98 3h3c n GLN 417 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3h3c s TYR 418 N -1.82 2.73 0.00 1.08 1.51 -1.26 -4.83 117.35 114.76 3h3c s TYR 418 Ca 0.30 1.54 0.00 0.00 -1.01 0.00 0.00 57.07 57.90 3h3c s TYR 418 Cb 0.02 -3.34 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 3h3c s TYR 418 CO -0.12 -1.60 0.00 0.41 -1.11 0.00 0.00 175.55 173.13 3h3c n GLY 419 N 0.29 -1.88 3.08 0.71 0.00 -1.26 -4.97 105.19 101.16 3h3c n GLY 419 Ca 0.10 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 3h3c n GLY 419 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3c s ILE 420 N 0.00 1.03 -0.04 -0.61 1.01 -1.26 -4.99 121.20 116.34 3h3c s ILE 420 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.09 3h3c s ILE 420 Cb 0.00 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 3h3c s ILE 420 CO 0.00 0.30 0.10 0.00 0.00 0.00 0.00 174.94 175.33 3h3c s ALA 421 N -0.18 3.66 0.58 9.38 0.00 -1.26 -4.84 121.76 129.10 3h3c s ALA 421 Ca 0.03 -0.80 0.30 0.00 0.00 0.00 0.00 51.96 51.48 3h3c s ALA 421 Cb -0.06 -1.69 1.44 0.00 0.00 0.00 0.00 23.12 22.81 3h3c s ALA 421 CO -0.00 0.67 1.85 -0.09 0.00 0.00 0.00 175.76 178.19 3h3c h ARG 422 N 4.36 0.00 -0.81 0.00 9.65 -1.99 0.23 114.38 125.81 3h3c h ARG 422 Ca -0.50 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.33 3h3c h ARG 422 Cb 1.19 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.74 3h3c h ARG 422 CO 0.61 0.00 0.34 1.49 2.80 0.00 0.00 179.97 185.22 3h3c h GLU 423 N 0.00 1.20 0.00 0.20 4.81 -2.02 -2.85 114.58 115.92 3h3c h GLU 423 Ca 0.29 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3h3c h GLU 423 Cb 1.46 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3h3c h GLU 423 CO -0.00 0.95 0.00 -0.25 -0.73 0.00 0.00 179.01 178.98 3h3c n ASP 424 N -4.28 0.37 -3.97 1.04 8.00 0.79 -4.66 116.55 113.85 3h3c n ASP 424 Ca 0.08 0.65 -0.27 0.00 0.71 0.00 0.00 54.79 55.95 3h3c n ASP 424 Cb 0.17 -0.71 -0.17 0.00 -0.02 0.00 0.00 41.12 40.40 3h3c n ASP 424 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h3c s VAL 425 N -3.31 1.22 -0.12 2.53 1.01 -1.08 -0.00 120.40 120.65 3h3c s VAL 425 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 3h3c s VAL 425 Cb 0.05 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3h3c s VAL 425 CO 0.18 0.40 -0.11 -0.69 0.00 0.00 0.00 175.10 174.88 3h3c s VAL 426 N 1.43 3.30 -0.08 2.92 1.01 -0.81 -4.98 120.40 123.20 3h3c s VAL 426 Ca 0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 3h3c s VAL 426 Cb -0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3h3c s VAL 426 CO -0.06 0.53 0.63 -0.76 0.00 0.00 0.00 175.10 175.43 3h3c s LEU 427 N 0.11 4.31 -0.07 3.92 1.43 -1.26 -1.13 118.68 125.99 3h3c s LEU 427 Ca -0.05 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 3h3c s LEU 427 Cb -0.14 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 3h3c s LEU 427 CO 0.04 -0.07 -0.05 0.59 0.23 0.00 0.00 176.35 177.09 3h3c n ASN 428 N 3.69 3.47 -3.72 2.29 3.02 0.24 -4.99 115.26 119.27 3h3c n ASN 428 Ca -0.03 -0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.39 3h3c n ASN 428 Cb 0.51 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.62 3h3c n ASN 428 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3c s ARG 429 N -2.14 1.36 0.34 3.52 1.70 -1.07 -5.01 118.95 117.64 3h3c s ARG 429 Ca -0.09 -0.84 -0.29 0.00 -0.47 0.00 0.00 55.73 54.05 3h3c s ARG 429 Cb 0.02 0.52 -0.12 0.00 -0.57 0.00 0.00 34.95 34.81 3h3c s ARG 429 CO 0.17 -0.58 1.47 -0.89 -1.08 0.00 0.00 175.30 174.40 3h3c n ILE 430 N -0.34 1.65 -0.12 4.99 2.08 -1.26 0.10 119.36 126.46 3h3c n ILE 430 Ca -0.11 -0.41 -0.25 0.00 0.56 0.00 0.00 62.75 62.54 3h3c n ILE 430 Cb 0.63 -1.86 -0.08 0.00 -0.75 0.00 0.00 39.64 37.57 3h3c n ILE 430 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3h3c n LEU 431 N 1.11 1.77 0.00 1.39 7.94 0.12 -4.52 117.00 124.82 3h3c n LEU 431 Ca 0.05 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 3h3c n LEU 431 Cb 0.37 -0.73 0.00 0.00 0.53 0.00 0.00 43.42 43.59 3h3c n LEU 431 CO 0.63 0.45 0.00 0.61 -1.11 0.00 0.00 177.39 177.98 3h3c n GLY 432 N 1.45 1.33 3.71 -3.96 0.00 -0.97 -5.02 105.19 101.73 3h3c n GLY 432 Ca -0.46 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 3h3c n GLY 432 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h3c s GLU 433 N -2.00 4.56 0.56 1.61 0.41 -1.26 -1.01 118.70 121.57 3h3c s GLU 433 Ca 0.00 1.39 0.04 0.00 -0.41 0.00 0.00 54.97 55.98 3h3c s GLU 433 Cb 0.00 -3.45 0.05 0.00 -1.78 0.00 0.00 34.13 28.95 3h3c s GLU 433 CO 0.00 -0.01 0.78 0.20 -0.49 0.00 0.00 175.26 175.73 3h3c s GLY 434 N 0.89 1.83 0.24 -1.39 0.00 0.71 -4.88 107.32 104.72 3h3c s GLY 434 Ca 0.50 -1.60 -0.06 0.00 0.00 0.00 0.00 44.72 43.56 3h3c s GLY 434 CO 0.28 -1.26 1.67 -2.75 0.00 0.00 0.00 173.10 171.03 3h3c h PHE 435 N 0.09 0.16 0.00 1.90 3.57 -1.96 -2.62 116.94 118.08 3h3c h PHE 435 Ca -0.39 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.16 3h3c h PHE 435 Cb 1.29 0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.07 3h3c h PHE 435 CO 0.27 -0.14 -0.75 1.19 -2.23 0.00 0.00 178.31 176.65 3h3c n PHE 436 N -5.22 0.01 0.00 0.41 3.01 -1.26 -5.06 117.46 109.35 3h3c n PHE 436 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 3h3c n PHE 436 Cb 0.46 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 3h3c n PHE 436 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h3c n GLY 437 N 1.49 0.49 3.77 1.37 0.00 -0.99 -0.16 105.19 111.16 3h3c n GLY 437 Ca 0.05 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 3h3c n GLY 437 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h3c s GLU 438 N -1.98 3.79 -0.07 1.61 2.56 -1.26 -0.21 118.70 123.15 3h3c s GLU 438 Ca 0.00 1.72 0.03 0.00 0.00 0.00 0.00 54.97 56.72 3h3c s GLU 438 Cb 0.00 -2.40 -0.02 0.00 2.00 0.00 0.00 34.13 33.71 3h3c s GLU 438 CO 0.00 -0.51 -0.16 0.08 -0.56 0.00 0.00 175.26 174.12 3h3c s VAL 439 N -1.58 2.90 0.08 3.70 1.01 -0.18 -1.88 120.40 124.46 3h3c s VAL 439 Ca 0.63 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.93 3h3c s VAL 439 Cb -0.27 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3h3c s VAL 439 CO 0.33 0.57 -0.18 -0.31 0.00 0.00 0.00 175.10 175.51 3h3c s TYR 440 N -0.36 2.55 0.08 5.22 1.51 -0.45 0.12 117.35 126.03 3h3c s TYR 440 Ca 0.03 -0.26 -0.24 0.00 -1.01 0.00 0.00 57.07 55.59 3h3c s TYR 440 Cb -0.12 -1.40 -0.06 0.00 -0.11 0.00 0.00 41.96 40.27 3h3c s TYR 440 CO 0.02 0.33 0.75 -1.21 -1.11 0.00 0.00 175.55 174.33 3h3c s GLU 441 N -1.85 4.49 0.00 -0.62 2.02 0.11 -0.06 118.70 122.80 3h3c s GLU 441 Ca 0.17 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.21 3h3c s GLU 441 Cb -0.11 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.80 3h3c s GLU 441 CO 0.08 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.17 3h3c n GLY 442 N 2.12 2.96 2.81 -1.39 0.00 0.24 -0.59 105.19 111.34 3h3c n GLY 442 Ca -0.04 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 3h3c n GLY 442 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3c s VAL 443 N -2.99 0.34 -0.18 1.61 1.01 -0.28 -0.69 120.40 119.22 3h3c s VAL 443 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 3h3c s VAL 443 Cb 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3h3c s VAL 443 CO 0.00 0.22 0.08 -0.47 0.00 0.00 0.00 175.10 174.93 3h3c s TYR 444 N 1.51 3.30 -0.35 5.22 5.04 0.20 -1.92 117.35 130.34 3h3c s TYR 444 Ca -0.02 0.15 -0.14 0.00 -2.44 0.00 0.00 57.07 54.62 3h3c s TYR 444 Cb -0.13 -2.08 -0.01 0.00 0.35 0.00 0.00 41.96 40.09 3h3c s TYR 444 CO -0.03 0.22 0.28 0.99 -1.34 0.00 0.00 175.55 175.67 3h3c s THR 445 N 0.25 5.25 0.72 4.34 2.01 0.99 0.50 115.64 129.72 3h3c s THR 445 Ca 0.05 -0.24 -0.16 0.00 0.31 0.00 0.00 61.69 61.65 3h3c s THR 445 Cb -0.12 -3.78 -0.14 0.00 0.01 0.00 0.00 72.50 68.48 3h3c s THR 445 CO -0.00 -0.08 -0.48 -3.20 -0.69 0.00 0.00 174.62 170.16 3h3c n ASN 446 N 5.18 -4.61 0.08 3.53 5.15 0.16 -4.82 115.26 119.93 3h3c n ASN 446 Ca -0.12 0.34 0.05 0.00 -0.60 0.00 0.00 54.58 54.25 3h3c n ASN 446 Cb 0.49 -0.72 0.47 0.00 -0.53 0.00 0.00 39.78 39.49 3h3c n ASN 446 CO 0.00 0.00 0.00 1.12 1.40 0.00 0.00 177.26 179.78 3h3c h HIS 447 N -0.54 0.35 -0.70 1.20 2.07 -1.94 -2.38 115.15 113.20 3h3c h HIS 447 Ca -0.39 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 56.94 3h3c h HIS 447 Cb 1.23 -0.12 -0.12 0.00 2.57 0.00 0.00 27.41 30.98 3h3c h HIS 447 CO 0.20 0.25 0.25 1.63 -3.07 0.00 0.00 177.93 177.19 3h3c n LYS 448 N -4.46 3.70 -0.73 5.12 4.76 -1.26 -4.96 118.16 120.33 3h3c n LYS 448 Ca 0.01 -2.92 0.00 0.00 -2.87 0.00 0.00 58.31 52.53 3h3c n LYS 448 Cb 0.10 -2.18 0.00 0.00 -1.84 0.00 0.00 35.03 31.11 3h3c n LYS 448 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h3c n GLY 449 N -0.06 0.84 3.77 0.72 0.00 -0.90 -5.03 105.19 104.53 3h3c n GLY 449 Ca 0.38 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 3h3c n GLY 449 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h3c s GLU 450 N -0.29 4.32 -0.42 1.61 2.02 -1.26 -4.63 118.70 120.06 3h3c s GLU 450 Ca 0.00 1.98 -0.19 0.00 0.02 0.00 0.00 54.97 56.77 3h3c s GLU 450 Cb 0.00 -2.97 0.02 0.00 0.10 0.00 0.00 34.13 31.28 3h3c s GLU 450 CO 0.00 -0.13 0.57 0.15 0.02 0.00 0.00 175.26 175.88 3h3c s LYS 451 N -1.88 3.30 -0.21 1.61 1.02 -1.26 0.40 119.74 122.72 3h3c s LYS 451 Ca 0.51 -0.42 -0.10 0.00 0.02 0.00 0.00 55.97 55.98 3h3c s LYS 451 Cb -0.35 -3.93 -0.05 0.00 -0.52 0.00 0.00 37.83 32.99 3h3c s LYS 451 CO 0.45 -0.91 0.13 0.42 -0.92 0.00 0.00 175.35 174.52 3h3c s ILE 452 N 2.59 5.33 0.13 2.17 -1.09 0.18 -4.91 121.20 125.60 3h3c s ILE 452 Ca 0.20 0.16 -0.30 0.00 -2.23 0.00 0.00 60.65 58.48 3h3c s ILE 452 Cb -0.15 -3.44 -0.06 0.00 -1.58 0.00 0.00 42.46 37.23 3h3c s ILE 452 CO 0.17 0.43 1.06 0.20 -1.23 0.00 0.00 174.94 175.56 3h3c s ASN 453 N 0.49 7.33 0.04 3.58 0.01 -1.26 0.62 114.94 125.74 3h3c s ASN 453 Ca 0.07 1.95 0.01 0.00 -0.71 0.00 0.00 52.86 54.18 3h3c s ASN 453 Cb -0.12 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.92 3h3c s ASN 453 CO -0.01 -0.20 -0.05 0.68 -1.51 0.00 0.00 177.10 176.01 3h3c s VAL 454 N 0.11 0.34 -0.23 1.60 -7.23 0.13 -2.37 120.40 112.76 3h3c s VAL 454 Ca 0.50 -1.24 -0.08 0.00 -1.81 0.00 0.00 61.98 59.35 3h3c s VAL 454 Cb -0.27 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 3h3c s VAL 454 CO 0.32 -0.59 0.08 0.00 -0.31 0.00 0.00 175.10 174.60 3h3c s ALA 455 N -2.11 3.31 -0.32 1.32 0.00 -0.04 -0.59 121.76 123.34 3h3c s ALA 455 Ca -0.07 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 3h3c s ALA 455 Cb -0.05 -2.07 0.04 0.00 0.00 0.00 0.00 23.12 21.04 3h3c s ALA 455 CO -0.02 -0.23 0.05 0.08 0.00 0.00 0.00 175.76 175.63 3h3c s VAL 456 N 1.14 3.38 0.15 0.00 1.01 0.91 -0.92 120.40 126.08 3h3c s VAL 456 Ca 0.05 -1.23 -0.17 0.00 0.00 0.00 0.00 61.98 60.63 3h3c s VAL 456 Cb -0.14 -2.91 -0.07 0.00 0.00 0.00 0.00 36.38 33.25 3h3c s VAL 456 CO 0.04 -0.12 0.61 -0.54 0.00 0.00 0.00 175.10 175.09 3h3c s LYS 457 N 1.33 4.11 0.20 2.72 1.02 0.90 -1.34 119.74 128.68 3h3c s LYS 457 Ca -0.03 0.66 0.06 0.00 0.02 0.00 0.00 55.97 56.68 3h3c s LYS 457 Cb -0.19 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 34.09 3h3c s LYS 457 CO 0.01 0.49 -0.09 0.95 -0.92 0.00 0.00 175.35 175.78 3h3c s THR 458 N -1.41 1.40 -0.16 2.17 -4.23 -0.79 -1.67 115.64 110.95 3h3c s THR 458 Ca 0.38 -2.12 -0.03 0.00 -1.18 0.00 0.00 61.69 58.74 3h3c s THR 458 Cb -0.17 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 3h3c s THR 458 CO 0.20 -0.57 -0.06 0.00 -0.54 0.00 0.00 174.62 173.65 3h3c n LYS 460 N 3.74 0.61 0.25 0.00 5.02 0.77 -4.84 118.16 123.71 3h3c n LYS 460 Ca -0.18 0.22 0.16 0.00 -2.02 0.00 0.00 58.31 56.50 3h3c n LYS 460 Cb 0.52 -1.80 0.86 0.00 -0.02 0.00 0.00 35.03 34.59 3h3c n LYS 460 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3h3c h LYS 461 N 4.53 0.00 -0.66 1.97 3.64 -1.98 -2.69 116.57 121.38 3h3c h LYS 461 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3h3c h LYS 461 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 3h3c h LYS 461 CO 0.79 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.57 3h3c n ASP 462 N -3.83 4.00 -4.91 4.20 3.85 -1.26 -4.99 116.55 113.61 3h3c n ASP 462 Ca -0.00 -2.19 -0.28 0.00 -0.71 0.00 0.00 54.79 51.61 3h3c n ASP 462 Cb 0.22 -0.50 0.04 0.00 -1.35 0.00 0.00 41.12 39.52 3h3c n ASP 462 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3h3c s THR 464 N -3.10 3.39 0.22 0.00 -4.23 -1.26 -4.80 115.64 105.86 3h3c s THR 464 Ca 0.55 0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 61.43 3h3c s THR 464 Cb -0.11 -3.03 0.18 0.00 1.34 0.00 0.00 72.50 70.89 3h3c s THR 464 CO 0.47 -0.59 1.85 -0.07 -0.54 0.00 0.00 174.62 175.74 3h3c h LEU 465 N -1.08 0.79 -1.99 4.79 4.07 -1.98 0.67 115.31 120.59 3h3c h LEU 465 Ca -0.45 0.01 0.11 0.00 0.08 0.00 0.00 57.88 57.63 3h3c h LEU 465 Cb 1.24 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 3h3c h LEU 465 CO 0.54 0.53 0.29 -0.78 -1.08 0.00 0.00 178.44 177.94 3h3c h ASP 466 N 0.93 0.01 0.48 -0.43 3.58 -1.99 0.22 116.42 119.23 3h3c h ASP 466 Ca 0.32 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.47 3h3c h ASP 466 Cb 0.07 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 3h3c h ASP 466 CO -0.13 0.01 -1.46 0.78 -2.88 0.00 0.00 179.24 175.55 3h3c h ASN 467 N 0.02 0.44 0.15 2.28 2.35 -1.30 -2.32 115.58 117.19 3h3c h ASN 467 Ca 0.19 -0.55 -0.06 0.00 -0.55 0.00 0.00 56.30 55.32 3h3c h ASN 467 Cb 0.75 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3h3c h ASN 467 CO -0.01 1.45 -0.23 0.50 -1.65 0.00 0.00 177.43 177.49 3h3c h LYS 468 N 0.08 0.16 0.03 0.81 3.11 -0.25 -1.48 116.57 119.03 3h3c h LYS 468 Ca -0.22 -0.05 -0.26 0.00 -2.81 0.00 0.00 60.65 57.32 3h3c h LYS 468 Cb 2.02 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 33.24 3h3c h LYS 468 CO 0.18 0.39 -1.05 1.05 -2.81 0.00 0.00 179.45 177.21 3h3c h GLU 469 N 0.15 0.53 -0.58 1.90 4.11 -0.62 -2.94 114.58 117.13 3h3c h GLU 469 Ca 0.03 -0.61 -0.08 0.00 0.07 0.00 0.00 59.36 58.76 3h3c h GLU 469 Cb 0.50 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3h3c h GLU 469 CO 0.03 1.23 0.06 0.87 0.07 0.00 0.00 179.01 181.27 3h3c h LYS 470 N 0.28 0.99 -0.24 1.06 1.57 -1.22 0.11 116.57 119.12 3h3c h LYS 470 Ca -0.12 -0.29 0.06 0.00 -1.87 0.00 0.00 60.65 58.44 3h3c h LYS 470 Cb 1.70 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.84 3h3c h LYS 470 CO 0.19 0.96 -0.22 0.35 -0.57 0.00 0.00 179.45 180.16 3h3c h PHE 471 N 0.88 -0.59 -0.39 -1.35 3.57 -1.35 0.11 116.94 117.82 3h3c h PHE 471 Ca 0.17 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 3h3c h PHE 471 Cb 0.47 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3h3c h PHE 471 CO 0.03 -0.30 -0.02 0.52 -2.23 0.00 0.00 178.31 176.31 3h3c h MET 472 N -0.23 0.70 -0.49 1.11 2.86 -1.32 -2.31 114.93 115.25 3h3c h MET 472 Ca 0.14 -0.23 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 3h3c h MET 472 Cb 0.44 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.97 3h3c h MET 472 CO -0.37 0.81 0.08 1.03 1.06 0.00 0.00 176.91 179.51 3h3c h SER 473 N 0.52 -0.05 -0.38 1.22 0.87 -0.27 -0.43 113.55 115.04 3h3c h SER 473 Ca 0.11 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 3h3c h SER 473 Cb 0.50 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 3h3c h SER 473 CO 0.02 0.01 0.16 -0.08 -0.53 0.00 0.00 176.83 176.41 3h3c h GLU 474 N 0.20 0.56 -0.45 2.24 4.81 -0.74 -2.82 114.58 118.39 3h3c h GLU 474 Ca 0.25 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 3h3c h GLU 474 Cb 0.34 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 3h3c h GLU 474 CO -0.34 0.53 0.05 0.00 -0.73 0.00 0.00 179.01 178.52 3h3c h ALA 475 N 1.00 0.47 -0.52 2.92 0.00 -0.70 -1.53 119.26 120.90 3h3c h ALA 475 Ca 0.13 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3h3c h ALA 475 Cb 0.17 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3h3c h ALA 475 CO -0.01 -0.35 -0.09 0.28 0.00 0.00 0.00 179.25 179.08 3h3c h VAL 476 N 0.18 1.27 -0.32 0.00 2.07 -1.03 0.12 116.25 118.53 3h3c h VAL 476 Ca 0.22 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.55 3h3c h VAL 476 Cb 0.31 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3h3c h VAL 476 CO -0.33 0.43 0.11 0.40 0.02 0.00 0.00 177.57 178.21 3h3c h ILE 477 N 0.85 0.91 -0.29 4.57 1.08 -1.36 -2.30 117.51 120.97 3h3c h ILE 477 Ca 0.14 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 3h3c h ILE 477 Cb 0.65 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 3h3c h ILE 477 CO 0.04 0.05 0.05 0.24 -0.69 0.00 0.00 178.15 177.84 3h3c h MET 478 N 0.25 0.42 -0.66 2.37 2.86 -0.38 -0.09 114.93 119.71 3h3c h MET 478 Ca 0.14 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3h3c h MET 478 Cb 0.11 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 3h3c h MET 478 CO -0.15 0.41 0.34 -0.22 1.06 0.00 0.00 176.91 178.35 3h3c h LYS 479 N 0.42 0.92 0.00 1.72 3.64 -0.37 -2.90 116.57 120.00 3h3c h LYS 479 Ca 0.10 -0.11 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 3h3c h LYS 479 Cb 0.19 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3h3c h LYS 479 CO -0.00 0.70 -0.97 -0.91 -2.27 0.00 0.00 179.45 176.00 3h3c h ASN 480 N 0.93 0.00 -3.75 4.20 2.35 -0.63 -3.46 115.58 115.21 3h3c h ASN 480 Ca 0.23 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.46 3h3c h ASN 480 Cb 0.06 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.48 3h3c h ASN 480 CO -0.03 0.82 0.60 -0.76 -1.65 0.00 0.00 177.43 176.41 3h3c s LEU 481 N -6.50 4.45 -0.35 1.61 1.43 -0.19 -5.00 118.68 114.14 3h3c s LEU 481 Ca 0.01 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 3h3c s LEU 481 Cb 0.09 -3.64 0.14 0.00 0.03 0.00 0.00 46.19 42.81 3h3c s LEU 481 CO 0.80 -0.44 0.23 -0.62 0.23 0.00 0.00 176.35 176.55 3h3c s ASP 482 N -0.39 2.69 -0.02 2.29 2.15 -1.26 -4.84 116.67 117.28 3h3c s ASP 482 Ca 0.50 -2.01 -0.02 0.00 0.43 0.00 0.00 52.55 51.44 3h3c s ASP 482 Cb -0.37 -0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.03 3h3c s ASP 482 CO 0.47 -0.31 0.06 -2.28 -0.17 0.00 0.00 175.17 172.94 3h3c s HIS 483 N 1.22 -0.03 0.45 -5.34 2.46 -1.26 -5.01 115.29 107.78 3h3c s HIS 483 Ca 0.17 0.08 0.37 0.00 0.47 0.00 0.00 55.06 56.16 3h3c s HIS 483 Cb -0.21 -0.00 2.04 0.00 -0.13 0.00 0.00 32.58 34.28 3h3c s HIS 483 CO -0.03 -0.07 2.15 -1.35 -2.47 0.00 0.00 174.74 172.97 3h3c h PRO 484 N 5.77 0.00 -0.06 2.88 0.11 -1.99 -2.60 132.00 136.10 3h3c h PRO 484 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 3h3c h PRO 484 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3h3c h PRO 484 CO 0.46 0.00 -0.31 0.72 -0.21 0.00 0.00 178.00 178.65 3h3c n HIS 485 N -2.85 0.20 -5.06 0.65 8.25 -1.26 -4.86 115.22 110.30 3h3c n HIS 485 Ca -0.02 -1.39 -0.28 0.00 -0.26 0.00 0.00 57.72 55.76 3h3c n HIS 485 Cb 0.10 -0.27 -0.16 0.00 1.12 0.00 0.00 29.99 30.78 3h3c n HIS 485 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h3c s ILE 486 N -3.15 1.73 0.13 1.59 1.01 -0.98 -0.74 121.20 120.78 3h3c s ILE 486 Ca 0.38 -0.91 -0.34 0.00 0.00 0.00 0.00 60.65 59.78 3h3c s ILE 486 Cb 0.36 -1.45 -0.17 0.00 0.01 0.00 0.00 42.46 41.20 3h3c s ILE 486 CO -0.03 0.49 1.01 1.33 0.00 0.00 0.00 174.94 177.73 3h3c n VAL 487 N 2.82 0.87 -3.03 2.92 0.24 -0.33 -4.61 118.33 117.21 3h3c n VAL 487 Ca -0.17 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.34 61.51 3h3c n VAL 487 Cb 0.52 -0.45 -0.05 0.00 -1.47 0.00 0.00 33.84 32.39 3h3c n VAL 487 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3h3c s LYS 488 N -0.40 4.19 -0.11 7.34 2.20 -1.26 -4.97 119.74 126.74 3h3c s LYS 488 Ca 0.76 0.74 -0.24 0.00 -0.36 0.00 0.00 55.97 56.86 3h3c s LYS 488 Cb -0.98 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 31.70 3h3c s LYS 488 CO 0.54 -0.36 0.76 -1.17 -0.36 0.00 0.00 175.35 174.76 3h3c s LEU 489 N 2.30 4.26 -0.21 5.43 0.20 -1.26 -0.75 118.68 128.65 3h3c s LEU 489 Ca 0.31 1.19 -0.11 0.00 0.69 0.00 0.00 54.13 56.21 3h3c s LEU 489 Cb -0.16 -3.15 -0.19 0.00 -0.43 0.00 0.00 46.19 42.26 3h3c s LEU 489 CO 0.10 -0.23 0.05 -0.38 -0.29 0.00 0.00 176.35 175.59 3h3c n ILE 490 N 4.18 1.60 -3.90 6.68 5.41 0.48 -4.91 119.36 128.89 3h3c n ILE 490 Ca 0.01 -0.38 -0.03 0.00 1.00 0.00 0.00 62.75 63.35 3h3c n ILE 490 Cb 0.50 -1.81 0.02 0.00 -0.71 0.00 0.00 39.64 37.65 3h3c n ILE 490 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3h3c s GLY 491 N -5.51 0.16 -0.04 7.39 0.00 -0.90 -5.02 107.32 103.41 3h3c s GLY 491 Ca -0.30 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.02 3h3c s GLY 491 CO 0.62 2.60 -0.01 -0.42 0.00 0.00 0.00 173.10 175.89 3h3c s ILE 492 N -2.08 0.27 -0.42 0.90 1.01 -1.26 -1.28 121.20 118.34 3h3c s ILE 492 Ca 0.23 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 3h3c s ILE 492 Cb -0.03 -0.35 0.09 0.00 0.01 0.00 0.00 42.46 42.18 3h3c s ILE 492 CO 0.06 0.17 0.25 -0.63 0.00 0.00 0.00 174.94 174.79 3h3c s ILE 493 N 1.06 4.01 0.16 2.92 1.01 0.88 -4.77 121.20 126.47 3h3c s ILE 493 Ca -0.09 -1.55 -0.06 0.00 0.00 0.00 0.00 60.65 58.95 3h3c s ILE 493 Cb -0.14 -3.51 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 3h3c s ILE 493 CO -0.01 -0.55 1.43 1.05 0.00 0.00 0.00 174.94 176.86 3h3c h GLU 494 N 8.33 0.60 -7.52 2.79 4.11 -1.91 0.17 114.58 121.16 3h3c h GLU 494 Ca -0.21 -0.43 -0.44 0.00 0.07 0.00 0.00 59.36 58.35 3h3c h GLU 494 Cb 1.07 0.07 0.16 0.00 0.50 0.00 0.00 28.75 30.56 3h3c h GLU 494 CO 0.75 1.05 0.26 -1.83 0.07 0.00 0.00 179.01 179.31 3h3c s GLU 495 N -3.85 0.11 0.00 1.06 -1.05 -1.26 -4.14 118.70 109.57 3h3c s GLU 495 Ca -0.08 0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.77 3h3c s GLU 495 Cb 0.10 -1.74 0.00 0.00 -0.44 0.00 0.00 34.13 32.05 3h3c s GLU 495 CO 0.86 -2.84 0.00 0.39 0.95 0.00 0.00 175.26 174.62 3h3c n GLU 496 N -4.17 0.00 -2.35 -4.83 -0.58 -1.26 -3.01 120.64 104.44 3h3c n GLU 496 Ca 0.11 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.42 3h3c n GLU 496 Cb 0.59 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.44 3h3c n GLU 496 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3h3c s PRO 497 N 0.00 3.92 0.16 3.49 0.04 -1.26 -4.96 135.00 136.39 3h3c s PRO 497 Ca 0.00 1.38 -0.32 0.00 0.04 0.00 0.00 61.00 62.10 3h3c s PRO 497 Cb 0.00 -3.90 -0.11 0.00 0.04 0.00 0.00 34.50 30.52 3h3c s PRO 497 CO 0.00 -1.12 1.78 2.41 0.04 0.00 0.00 177.00 180.11 3h3c n THR 498 N 6.17 0.19 -4.63 1.26 -1.04 -1.16 -4.91 114.28 110.15 3h3c n THR 498 Ca 0.15 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.05 61.80 3h3c n THR 498 Cb 0.46 -2.04 -0.16 0.00 -1.82 0.00 0.00 70.33 66.78 3h3c n THR 498 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 3h3c s TRP 499 N 1.96 2.73 -0.36 -1.42 0.52 0.05 -4.33 118.94 118.08 3h3c s TRP 499 Ca 0.79 -1.14 -0.14 0.00 0.02 0.00 0.00 56.10 55.63 3h3c s TRP 499 Cb -0.50 -1.85 -0.01 0.00 -1.15 0.00 0.00 33.47 29.96 3h3c s TRP 499 CO 0.35 -0.51 0.28 0.42 0.02 0.00 0.00 176.95 177.51 3h3c s ILE 500 N 0.77 5.25 -0.50 2.03 -1.09 -0.67 -0.09 121.20 126.90 3h3c s ILE 500 Ca -0.07 -0.28 -0.17 0.00 -2.23 0.00 0.00 60.65 57.89 3h3c s ILE 500 Cb -0.16 -3.79 0.07 0.00 -1.58 0.00 0.00 42.46 37.00 3h3c s ILE 500 CO 0.00 -0.11 0.53 -0.63 -1.23 0.00 0.00 174.94 173.50 3h3c s ILE 501 N 1.78 5.04 0.19 2.92 1.01 -0.40 -0.07 121.20 131.65 3h3c s ILE 501 Ca 0.07 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.92 3h3c s ILE 501 Cb -0.18 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 3h3c s ILE 501 CO 0.11 -0.75 0.33 -0.04 0.00 0.00 0.00 174.94 174.59 3h3c s MET 502 N 2.17 3.45 0.36 2.79 -1.94 -0.10 -0.39 119.30 125.65 3h3c s MET 502 Ca 0.10 -0.61 -0.28 0.00 -1.71 0.00 0.00 55.69 53.19 3h3c s MET 502 Cb -0.22 -2.92 -0.11 0.00 2.01 0.00 0.00 34.83 33.58 3h3c s MET 502 CO 0.09 0.47 1.50 -1.91 -0.01 0.00 0.00 175.02 175.16 3h3c n GLU 503 N -0.84 2.67 -3.32 2.03 2.13 0.07 -0.86 120.64 122.52 3h3c n GLU 503 Ca -0.07 0.94 -0.38 0.00 0.66 0.00 0.00 57.16 58.30 3h3c n GLU 503 Cb 0.55 -2.68 -0.07 0.00 0.27 0.00 0.00 31.44 29.52 3h3c n GLU 503 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3h3c s LEU 504 N -1.74 4.19 -0.38 4.31 2.96 -1.00 -4.34 118.68 122.68 3h3c s LEU 504 Ca 0.55 0.67 -0.11 0.00 -0.22 0.00 0.00 54.13 55.02 3h3c s LEU 504 Cb -0.48 -2.64 0.03 0.00 0.50 0.00 0.00 46.19 43.60 3h3c s LEU 504 CO 0.61 -0.08 0.22 -0.31 -1.32 0.00 0.00 176.35 175.47 3h3c s TYR 505 N 1.18 3.25 0.38 5.38 1.51 -1.26 -4.87 117.35 122.92 3h3c s TYR 505 Ca 0.23 -0.96 0.13 0.00 -1.01 0.00 0.00 57.07 55.46 3h3c s TYR 505 Cb -0.15 -2.48 0.75 0.00 -0.11 0.00 0.00 41.96 39.97 3h3c s TYR 505 CO 0.09 -0.66 1.84 -1.00 -1.11 0.00 0.00 175.55 174.72 3h3c h PRO 506 N 8.46 0.00 0.00 -1.71 0.13 -1.83 -2.41 132.00 134.63 3h3c h PRO 506 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3h3c h PRO 506 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3h3c h PRO 506 CO 0.68 0.35 0.00 0.66 -0.23 0.00 0.00 178.00 179.46 3h3c n TYR 507 N -4.11 0.00 -4.18 1.56 4.02 -1.21 -5.02 117.16 108.21 3h3c n TYR 507 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3h3c n TYR 507 Cb 0.39 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 3h3c n TYR 507 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h3c n GLY 508 N 1.04 -0.78 3.76 2.72 0.00 -0.91 -4.74 105.19 106.27 3h3c n GLY 508 Ca 0.07 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 3h3c n GLY 508 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h3c s GLU 509 N 0.00 4.60 0.31 1.61 2.02 -1.26 -1.05 118.70 124.93 3h3c s GLU 509 Ca 0.00 1.80 0.02 0.00 0.02 0.00 0.00 54.97 56.81 3h3c s GLU 509 Cb 0.00 -3.14 0.58 0.00 0.10 0.00 0.00 34.13 31.67 3h3c s GLU 509 CO 0.00 0.17 1.90 1.25 0.02 0.00 0.00 175.26 178.61 3h3c h LEU 510 N 3.71 0.86 -0.15 1.80 5.85 -0.79 -1.47 115.31 125.12 3h3c h LEU 510 Ca -0.47 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3h3c h LEU 510 Cb 1.21 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3h3c h LEU 510 CO 0.66 0.53 0.07 1.23 -0.34 0.00 0.00 178.44 180.59 3h3c h GLY 511 N 0.96 0.24 0.97 3.75 0.00 -1.75 0.84 103.07 108.08 3h3c h GLY 511 Ca 0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 3h3c h GLY 511 CO -0.16 0.12 0.20 0.45 0.00 0.00 0.00 176.54 177.14 3h3c h HIS 512 N 0.11 0.47 -0.77 5.60 3.86 -1.85 -2.04 115.15 120.53 3h3c h HIS 512 Ca 0.05 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.33 3h3c h HIS 512 Cb 0.14 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.39 3h3c h HIS 512 CO -0.02 0.35 0.44 -0.92 0.86 0.00 0.00 177.93 178.64 3h3c h TYR 513 N 0.45 0.79 -0.44 2.45 3.20 -1.00 -0.43 116.97 121.99 3h3c h TYR 513 Ca 0.12 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 3h3c h TYR 513 Cb 0.03 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3h3c h TYR 513 CO -0.03 0.35 0.13 -0.07 -1.64 0.00 0.00 178.16 176.90 3h3c h LEU 514 N 0.76 0.64 -0.38 2.82 3.38 -0.71 -1.34 115.31 120.50 3h3c h LEU 514 Ca 0.36 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3h3c h LEU 514 Cb 0.28 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3h3c h LEU 514 CO -0.22 0.68 0.18 -0.33 0.09 0.00 0.00 178.44 178.85 3h3c h GLU 515 N 0.57 0.36 -0.54 1.13 5.08 -1.01 -0.58 114.58 119.60 3h3c h GLU 515 Ca 0.14 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3h3c h GLU 515 Cb 0.27 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3h3c h GLU 515 CO -0.00 0.24 0.05 -0.09 -1.00 0.00 0.00 179.01 178.20 3h3c h ARG 516 N 0.38 0.92 -0.49 2.33 2.43 -0.98 -3.26 114.38 115.71 3h3c h ARG 516 Ca 0.16 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3h3c h ARG 516 Cb 0.07 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3h3c h ARG 516 CO -0.12 0.91 0.00 0.09 -1.51 0.00 0.00 179.97 179.35 3h3c n ASN 517 N -4.32 4.76 0.26 -3.80 3.02 -0.51 -4.65 115.26 110.01 3h3c n ASN 517 Ca 0.02 -2.75 0.18 0.00 -0.03 0.00 0.00 54.58 52.00 3h3c n ASN 517 Cb 0.30 -0.58 0.90 0.00 -0.61 0.00 0.00 39.78 39.79 3h3c n ASN 517 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3h3c h LYS 518 N 3.28 0.00 -0.00 3.52 2.10 -1.15 -1.02 116.57 123.30 3h3c h LYS 518 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3h3c h LYS 518 Cb 1.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.92 3h3c h LYS 518 CO 0.31 0.00 -0.51 0.09 -2.00 0.00 0.00 179.45 177.33 3h3c n ASN 519 N -3.48 0.67 -0.07 7.07 3.02 -1.26 -4.33 115.26 116.88 3h3c n ASN 519 Ca 0.00 -0.46 -0.08 0.00 -0.03 0.00 0.00 54.58 54.01 3h3c n ASN 519 Cb 0.29 0.32 -0.10 0.00 -0.61 0.00 0.00 39.78 39.68 3h3c n ASN 519 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3h3c n SER 520 N -1.33 1.89 -4.75 6.41 3.41 -0.46 -5.01 113.62 113.77 3h3c n SER 520 Ca 0.07 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.24 3h3c n SER 520 Cb 0.34 0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 64.85 3h3c n SER 520 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h3c s LEU 521 N -5.23 4.39 0.27 1.04 1.43 -0.75 -5.01 118.68 114.83 3h3c s LEU 521 Ca -0.10 2.67 -0.04 0.00 -1.03 0.00 0.00 54.13 55.63 3h3c s LEU 521 Cb 0.04 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 3h3c s LEU 521 CO 0.52 -0.68 0.52 -0.54 0.23 0.00 0.00 176.35 176.40 3h3c s LYS 522 N -0.57 3.60 0.38 1.70 1.02 -1.26 -5.00 119.74 119.61 3h3c s LYS 522 Ca 0.58 -0.09 0.09 0.00 0.02 0.00 0.00 55.97 56.57 3h3c s LYS 522 Cb -0.42 -2.69 0.85 0.00 -0.52 0.00 0.00 37.83 35.05 3h3c s LYS 522 CO 0.45 0.25 1.95 0.28 -0.92 0.00 0.00 175.35 177.36 3h3c h VAL 523 N 1.35 0.95 -0.79 3.17 2.07 -1.95 -1.89 116.25 119.17 3h3c h VAL 523 Ca -0.48 -0.22 0.17 0.00 0.82 0.00 0.00 66.70 67.00 3h3c h VAL 523 Cb 1.19 0.26 -0.15 0.00 -1.52 0.00 0.00 31.29 31.08 3h3c h VAL 523 CO 0.66 0.12 -0.11 0.25 0.02 0.00 0.00 177.57 178.51 3h3c h LEU 524 N 0.63 -0.58 -0.36 2.57 5.85 -1.95 -1.09 115.31 120.39 3h3c h LEU 524 Ca 0.32 0.23 -0.18 0.00 0.84 0.00 0.00 57.88 59.09 3h3c h LEU 524 Cb 0.43 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3h3c h LEU 524 CO -0.11 -0.24 -0.53 0.74 -0.34 0.00 0.00 178.44 177.95 3h3c h THR 525 N 0.03 1.28 -0.98 1.05 2.02 -1.74 -1.41 112.91 113.16 3h3c h THR 525 Ca 0.41 -1.73 0.01 0.00 0.77 0.00 0.00 66.41 65.87 3h3c h THR 525 Cb 0.68 1.63 -0.05 0.00 -1.74 0.00 0.00 68.15 68.68 3h3c h THR 525 CO -0.77 0.56 0.64 -0.07 0.37 0.00 0.00 175.52 176.24 3h3c h LEU 526 N 0.63 1.13 -0.60 2.58 3.38 -1.23 -1.15 115.31 120.05 3h3c h LEU 526 Ca 0.02 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3h3c h LEU 526 Cb 1.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3h3c h LEU 526 CO 0.12 0.83 -0.36 0.58 0.09 0.00 0.00 178.44 179.69 3h3c h VAL 527 N 1.33 1.29 -0.55 1.22 2.07 -1.08 -2.26 116.25 118.26 3h3c h VAL 527 Ca 0.36 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 3h3c h VAL 527 Cb -0.14 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3h3c h VAL 527 CO -0.08 0.49 0.33 0.25 0.02 0.00 0.00 177.57 178.58 3h3c h LEU 528 N 0.59 0.66 -0.55 2.57 5.85 -0.87 0.14 115.31 123.70 3h3c h LEU 528 Ca 0.06 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3h3c h LEU 528 Cb 0.89 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3h3c h LEU 528 CO 0.08 0.53 0.22 1.88 -0.34 0.00 0.00 178.44 180.81 3h3c h TYR 529 N 0.74 0.84 -0.40 1.25 0.05 -1.14 0.63 116.97 118.94 3h3c h TYR 529 Ca 0.20 -0.07 0.06 0.00 0.05 0.00 0.00 58.73 58.97 3h3c h TYR 529 Cb -0.01 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.43 3h3c h TYR 529 CO -0.02 0.69 0.09 0.77 -1.05 0.00 0.00 178.16 178.63 3h3c h SER 530 N 0.75 0.03 -0.57 3.88 0.02 -0.94 -1.78 113.55 114.94 3h3c h SER 530 Ca 0.18 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3h3c h SER 530 Cb 0.21 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3h3c h SER 530 CO -0.01 0.05 0.32 0.25 -1.14 0.00 0.00 176.83 176.30 3h3c h LEU 531 N 0.22 0.71 -0.82 5.07 5.85 -0.46 -0.19 115.31 125.69 3h3c h LEU 531 Ca 0.19 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3h3c h LEU 531 Cb 0.22 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3h3c h LEU 531 CO -0.24 0.58 0.44 1.56 -0.34 0.00 0.00 178.44 180.44 3h3c h GLN 532 N 0.77 1.15 -0.27 1.25 4.20 -0.61 -0.32 115.11 121.28 3h3c h GLN 532 Ca 0.20 -0.14 -0.17 0.00 0.06 0.00 0.00 58.65 58.60 3h3c h GLN 532 Cb 0.03 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 3h3c h GLN 532 CO -0.03 0.86 -0.51 0.82 -0.67 0.00 0.00 178.83 179.30 3h3c h ILE 533 N 1.15 1.29 -1.01 2.54 1.08 -1.14 -2.28 117.51 119.14 3h3c h ILE 533 Ca 0.29 -1.71 0.02 0.00 -0.39 0.00 0.00 64.86 63.07 3h3c h ILE 533 Cb 0.05 1.62 -0.05 0.00 -3.07 0.00 0.00 36.82 35.36 3h3c h ILE 533 CO -0.04 0.55 0.67 0.00 -0.69 0.00 0.00 178.15 178.63 3h3c h LYS 535 N 1.34 0.94 -0.73 0.00 1.57 -0.91 0.19 116.57 118.97 3h3c h LYS 535 Ca 0.38 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 3h3c h LYS 535 Cb -0.12 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.01 3h3c h LYS 535 CO -0.09 0.82 0.47 0.00 -0.57 0.00 0.00 179.45 180.08 3h3c h ALA 536 N 1.07 0.94 -0.20 3.86 0.00 -0.90 -1.49 119.26 122.53 3h3c h ALA 536 Ca 0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3h3c h ALA 536 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3h3c h ALA 536 CO -0.01 0.29 -0.25 0.52 0.00 0.00 0.00 179.25 179.81 3h3c h MET 537 N 0.94 0.38 -0.50 0.00 2.86 -0.66 -1.37 114.93 116.57 3h3c h MET 537 Ca 0.28 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 3h3c h MET 537 Cb -0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3h3c h MET 537 CO -0.09 0.61 -0.05 0.00 1.06 0.00 0.00 176.91 178.44 3h3c h ALA 538 N 1.40 0.96 0.38 6.32 0.00 -0.25 0.04 119.26 128.12 3h3c h ALA 538 Ca 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3h3c h ALA 538 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3h3c h ALA 538 CO 0.04 0.62 -0.18 -0.92 0.00 0.00 0.00 179.25 178.81 3h3c h TYR 539 N 0.81 -0.47 -0.82 0.00 3.20 -0.89 -1.72 116.97 117.08 3h3c h TYR 539 Ca 0.14 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.14 3h3c h TYR 539 Cb 0.56 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.92 3h3c h TYR 539 CO 0.03 -0.29 0.54 -0.07 -1.64 0.00 0.00 178.16 176.73 3h3c h LEU 540 N -0.52 0.54 -1.07 2.82 3.38 -1.06 -0.73 115.31 118.68 3h3c h LEU 540 Ca -0.05 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3h3c h LEU 540 Cb 0.39 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3h3c h LEU 540 CO 0.09 0.28 -0.30 -0.08 0.09 0.00 0.00 178.44 178.51 3h3c h GLU 541 N 0.57 0.28 0.00 1.13 4.81 -0.73 -1.60 114.58 119.05 3h3c h GLU 541 Ca 0.41 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 3h3c h GLU 541 Cb 0.75 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 3h3c h GLU 541 CO -0.16 0.56 -0.09 0.66 -0.73 0.00 0.00 179.01 179.25 3h3c h SER 542 N 0.25 0.00 -0.38 1.04 4.64 -0.19 -1.54 113.55 117.37 3h3c h SER 542 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3h3c h SER 542 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3h3c h SER 542 CO 0.05 0.09 0.00 2.30 -0.87 0.00 0.00 176.83 178.40 3h3c n ILE 543 N -3.49 2.14 -3.98 0.95 -5.35 -0.97 -4.98 119.36 103.68 3h3c n ILE 543 Ca -0.02 -1.58 -0.33 0.00 -0.27 0.00 0.00 62.75 60.55 3h3c n ILE 543 Cb 0.22 -0.10 -0.07 0.00 -1.74 0.00 0.00 39.64 37.95 3h3c n ILE 543 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3h3c n ASN 544 N 0.06 -1.07 -4.70 7.28 5.15 -0.58 -4.94 115.26 116.46 3h3c n ASN 544 Ca 0.22 -1.02 -0.41 0.00 -0.60 0.00 0.00 54.58 52.76 3h3c n ASN 544 Cb 0.88 -1.30 -0.04 0.00 -0.53 0.00 0.00 39.78 38.80 3h3c n ASN 544 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h3c s VAL 546 N 1.35 5.20 -0.26 0.00 -7.23 -1.26 -4.19 120.40 114.01 3h3c s VAL 546 Ca 0.43 0.11 -0.10 0.00 -1.81 0.00 0.00 61.98 60.62 3h3c s VAL 546 Cb -0.18 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 3h3c s VAL 546 CO 0.20 0.48 0.14 -2.28 -0.31 0.00 0.00 175.10 173.32 3h3c s HIS 547 N 0.14 3.19 -1.36 2.82 2.46 -1.26 -4.72 115.29 116.56 3h3c s HIS 547 Ca 0.08 -0.04 0.14 0.00 0.47 0.00 0.00 55.06 55.71 3h3c s HIS 547 Cb -0.12 -2.30 0.53 0.00 -0.13 0.00 0.00 32.58 30.56 3h3c s HIS 547 CO -0.00 -0.17 1.41 0.54 -2.47 0.00 0.00 174.74 174.04 3h3c n ARG 548 N 4.83 2.92 -2.96 2.88 1.74 1.38 -4.49 116.66 122.96 3h3c n ARG 548 Ca -0.15 -2.11 -0.14 0.00 -0.77 0.00 0.00 57.85 54.69 3h3c n ARG 548 Cb 0.52 -1.69 0.02 0.00 -1.02 0.00 0.00 32.46 30.29 3h3c n ARG 548 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3h3c n ASP 549 N 0.83 -0.19 -4.47 0.55 2.03 -1.25 -4.95 116.55 109.10 3h3c n ASP 549 Ca 0.19 -3.13 -0.43 0.00 0.52 0.00 0.00 54.79 51.93 3h3c n ASP 549 Cb 0.66 0.23 -0.03 0.00 -0.72 0.00 0.00 41.12 41.27 3h3c n ASP 549 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3h3c s ILE 550 N -1.57 4.60 -0.00 5.18 1.01 -1.26 -4.77 121.20 124.38 3h3c s ILE 550 Ca 0.32 -1.42 -0.16 0.00 0.00 0.00 0.00 60.65 59.39 3h3c s ILE 550 Cb 0.35 -4.82 0.03 0.00 0.01 0.00 0.00 42.46 38.03 3h3c s ILE 550 CO -0.06 -1.57 0.34 0.00 0.00 0.00 0.00 174.94 173.66 3h3c s ALA 551 N 3.07 -0.85 0.53 9.38 0.00 -1.26 -4.38 121.76 128.25 3h3c s ALA 551 Ca 0.34 0.34 0.19 0.00 0.00 0.00 0.00 51.96 52.83 3h3c s ALA 551 Cb -0.04 0.13 1.37 0.00 0.00 0.00 0.00 23.12 24.58 3h3c s ALA 551 CO -0.09 -0.31 2.15 -0.24 0.00 0.00 0.00 175.76 177.28 3h3c h VAL 552 N 3.63 0.89 0.00 0.00 3.04 -1.92 0.96 116.25 122.86 3h3c h VAL 552 Ca -0.30 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 3h3c h VAL 552 Cb 1.18 0.97 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3h3c h VAL 552 CO 0.41 0.00 -0.09 -0.09 -1.01 0.00 0.00 177.57 176.79 3h3c h ARG 553 N 0.00 0.00 -0.30 4.17 2.43 -1.95 -2.65 114.38 116.08 3h3c h ARG 553 Ca 0.02 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3h3c h ARG 553 Cb 0.10 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 3h3c h ARG 553 CO -0.00 0.09 -0.01 -1.71 -1.51 0.00 0.00 179.97 176.82 3h3c n ASN 554 N -3.47 3.26 -4.13 -3.80 2.85 0.32 -4.81 115.26 105.48 3h3c n ASN 554 Ca -0.02 -3.33 -0.25 0.00 -0.11 0.00 0.00 54.58 50.87 3h3c n ASN 554 Cb 0.23 -0.58 -0.16 0.00 1.24 0.00 0.00 39.78 40.51 3h3c n ASN 554 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3h3c s ILE 555 N -3.01 1.36 0.10 -1.44 1.01 -1.16 0.03 121.20 118.10 3h3c s ILE 555 Ca 0.43 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.42 3h3c s ILE 555 Cb 0.37 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 3h3c s ILE 555 CO 0.05 0.39 0.08 -0.76 0.00 0.00 0.00 174.94 174.71 3h3c s LEU 556 N -0.06 3.76 -0.34 2.97 2.01 -0.02 -0.77 118.68 126.23 3h3c s LEU 556 Ca -0.01 -0.06 -0.09 0.00 0.01 0.00 0.00 54.13 53.98 3h3c s LEU 556 Cb -0.10 -2.43 0.02 0.00 0.01 0.00 0.00 46.19 43.69 3h3c s LEU 556 CO 0.01 0.15 0.16 -0.69 1.01 0.00 0.00 176.35 176.99 3h3c s VAL 557 N -1.47 4.31 0.03 -1.59 1.01 -0.21 -0.32 120.40 122.16 3h3c s VAL 557 Ca 0.29 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 3h3c s VAL 557 Cb -0.12 -3.35 -0.32 0.00 0.00 0.00 0.00 36.38 32.59 3h3c s VAL 557 CO 0.22 -0.13 0.98 0.00 0.00 0.00 0.00 175.10 176.17 3h3c h ALA 558 N 8.34 -0.01 -2.93 5.51 0.00 -1.31 -3.22 119.26 125.64 3h3c h ALA 558 Ca -0.27 -0.93 0.01 0.00 0.00 0.00 0.00 54.91 53.73 3h3c h ALA 558 Cb 1.11 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 3h3c h ALA 558 CO 0.63 0.86 0.11 -1.54 0.00 0.00 0.00 179.25 179.31 3h3c s SER 559 N -7.38 -0.25 0.63 0.00 1.04 -1.02 -4.67 113.70 102.05 3h3c s SER 559 Ca -0.08 -0.59 0.31 0.00 0.48 0.00 0.00 55.95 56.07 3h3c s SER 559 Cb 0.05 0.65 1.67 0.00 0.10 0.00 0.00 66.02 68.49 3h3c s SER 559 CO 0.91 -1.20 1.99 -0.65 0.98 0.00 0.00 173.24 175.27 3h3c h PRO 560 N 2.10 0.00 -0.19 4.02 0.11 -2.03 -1.61 132.00 134.40 3h3c h PRO 560 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3h3c h PRO 560 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3h3c h PRO 560 CO 0.30 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.48 3h3c n GLU 561 N -3.27 2.61 -3.70 1.05 1.02 -1.26 -4.99 120.64 112.10 3h3c n GLU 561 Ca 0.01 -2.35 -0.14 0.00 -0.02 0.00 0.00 57.16 54.66 3h3c n GLU 561 Cb 0.41 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.21 3h3c n GLU 561 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h3c s VAL 563 N 1.80 2.85 -0.05 0.00 -7.23 -1.26 -0.83 120.40 115.68 3h3c s VAL 563 Ca -0.03 -2.20 -0.01 0.00 -1.81 0.00 0.00 61.98 57.94 3h3c s VAL 563 Cb -0.12 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.31 3h3c s VAL 563 CO -0.07 -0.38 0.01 -0.54 -0.31 0.00 0.00 175.10 173.81 3h3c s LYS 564 N -3.59 0.41 0.24 4.82 -0.14 0.57 -4.58 119.74 117.48 3h3c s LYS 564 Ca 0.31 0.13 -0.30 0.00 -1.36 0.00 0.00 55.97 54.74 3h3c s LYS 564 Cb -0.05 -0.73 -0.10 0.00 -1.68 0.00 0.00 37.83 35.27 3h3c s LYS 564 CO 0.17 -0.24 1.49 -1.17 -0.76 0.00 0.00 175.35 174.84 3h3c s LEU 565 N 1.63 4.38 1.04 3.17 2.96 0.08 -0.84 118.68 131.11 3h3c s LEU 565 Ca -0.01 2.70 -0.15 0.00 -0.22 0.00 0.00 54.13 56.45 3h3c s LEU 565 Cb -0.13 -3.62 0.21 0.00 0.50 0.00 0.00 46.19 43.15 3h3c s LEU 565 CO -0.03 -0.76 1.14 -0.83 -1.32 0.00 0.00 176.35 174.55 3h3c s GLY 566 N 0.53 1.60 0.00 7.98 0.00 0.10 -1.18 107.32 116.34 3h3c s GLY 566 Ca 0.62 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.63 3h3c s GLY 566 CO 0.42 0.01 0.00 2.09 0.00 0.00 0.00 173.10 175.61 3h3c n ASP 567 N -4.23 0.00 -1.69 1.64 3.85 -1.26 -4.80 116.55 110.06 3h3c n ASP 567 Ca 0.09 0.19 -0.19 0.00 -0.71 0.00 0.00 54.79 54.17 3h3c n ASP 567 Cb 0.59 -0.23 -0.01 0.00 -1.35 0.00 0.00 41.12 40.11 3h3c n ASP 567 CO 0.00 0.00 0.00 0.33 -1.01 0.00 0.00 177.20 176.52 3h3c n PHE 568 N -1.35 -0.13 -0.76 2.11 7.35 -1.26 -0.84 117.46 122.58 3h3c n PHE 568 Ca 0.00 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 3h3c n PHE 568 Cb 0.00 -0.76 0.00 0.00 0.35 0.00 0.00 39.48 39.07 3h3c n PHE 568 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3h3c n GLY 569 N 0.74 0.83 2.05 7.13 0.00 -1.26 -4.66 105.19 110.02 3h3c n GLY 569 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3h3c n GLY 569 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h3c n LEU 570 N 0.00 6.27 0.00 0.99 7.94 -0.02 0.41 117.00 132.60 3h3c n LEU 570 Ca 0.00 -4.25 0.00 0.00 -1.11 0.00 0.00 56.01 50.65 3h3c n LEU 570 Cb 0.00 -0.74 0.00 0.00 0.53 0.00 0.00 43.42 43.21 3h3c n LEU 570 CO 0.00 1.56 0.00 0.35 -1.11 0.00 0.00 177.39 178.19 3h3c n THR 585 N -0.93 0.00 -2.76 1.96 -2.24 -1.26 -4.82 114.28 104.24 3h3c n THR 585 Ca 0.53 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.24 3h3c n THR 585 Cb 0.93 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3h3c n THR 585 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3h3c n ARG 586 N 0.00 -0.39 -2.85 -0.78 3.00 -1.26 -4.93 116.66 109.45 3h3c n ARG 586 Ca 0.00 0.20 -0.31 0.00 -0.00 0.00 0.00 57.85 57.74 3h3c n ARG 586 Cb 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 32.46 31.88 3h3c n ARG 586 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3h3c s LEU 587 N -2.62 3.84 -1.46 6.15 1.02 -1.26 -4.96 118.68 119.39 3h3c s LEU 587 Ca 0.01 1.18 -0.12 0.00 0.02 0.00 0.00 54.13 55.22 3h3c s LEU 587 Cb -0.00 -4.06 0.04 0.00 0.02 0.00 0.00 46.19 42.19 3h3c s LEU 587 CO 0.22 -0.39 2.33 -0.81 0.02 0.00 0.00 176.35 177.72 3h3c n PRO 588 N -1.22 3.24 -0.33 1.29 -0.04 -1.26 -4.79 135.00 131.89 3h3c n PRO 588 Ca 0.03 -2.71 0.09 0.00 -0.04 0.00 0.00 63.50 60.87 3h3c n PRO 588 Cb 0.54 -3.10 0.20 0.00 -0.04 0.00 0.00 33.50 31.10 3h3c n PRO 588 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3h3c h ILE 589 N 3.68 0.08 0.00 0.52 1.08 -1.96 -0.39 117.51 120.53 3h3c h ILE 589 Ca 0.61 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 65.07 3h3c h ILE 589 Cb 0.55 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 3h3c h ILE 589 CO 1.81 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 179.56 3h3c n LYS 590 N -5.52 0.11 0.00 2.37 5.02 -1.26 -2.38 118.16 116.51 3h3c n LYS 590 Ca 0.18 0.35 0.11 0.00 -2.02 0.00 0.00 58.31 56.93 3h3c n LYS 590 Cb 0.60 -1.72 0.03 0.00 -0.02 0.00 0.00 35.03 33.92 3h3c n LYS 590 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3h3c n TRP 591 N -1.93 0.00 -3.82 2.13 8.01 -0.17 -4.84 117.44 116.82 3h3c n TRP 591 Ca 0.03 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.89 3h3c n TRP 591 Cb 0.20 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.46 3h3c n TRP 591 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3h3c s MET 592 N -2.18 3.52 0.73 -0.99 -1.94 -1.00 -4.12 119.30 113.32 3h3c s MET 592 Ca 0.21 -0.22 -0.14 0.00 -1.71 0.00 0.00 55.69 53.83 3h3c s MET 592 Cb 0.18 -3.04 0.04 0.00 2.01 0.00 0.00 34.83 34.02 3h3c s MET 592 CO 0.44 0.62 1.14 -1.54 -0.01 0.00 0.00 175.02 175.67 3h3c s SER 593 N -2.06 4.49 0.26 3.03 1.04 -1.26 -4.82 113.70 114.37 3h3c s SER 593 Ca 0.31 2.09 -0.02 0.00 0.48 0.00 0.00 55.95 58.82 3h3c s SER 593 Cb -0.13 -2.56 0.55 0.00 0.10 0.00 0.00 66.02 63.99 3h3c s SER 593 CO 0.21 -2.05 1.71 -0.65 0.98 0.00 0.00 173.24 173.43 3h3c h PRO 594 N -0.49 0.38 -0.18 4.02 0.11 -1.96 -1.46 132.00 132.43 3h3c h PRO 594 Ca -0.46 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3h3c h PRO 594 Cb 1.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3h3c h PRO 594 CO 0.51 0.25 -0.18 1.05 -0.21 0.00 0.00 178.00 179.43 3h3c h GLU 595 N 0.40 0.30 -0.29 1.05 9.09 -1.90 1.00 114.58 124.22 3h3c h GLU 595 Ca 0.47 -0.08 -0.05 0.00 0.05 0.00 0.00 59.36 59.75 3h3c h GLU 595 Cb 0.79 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.85 3h3c h GLU 595 CO -0.47 0.47 -0.01 0.77 0.05 0.00 0.00 179.01 179.82 3h3c h SER 596 N 0.27 0.51 -0.17 3.06 0.02 -1.27 0.73 113.55 116.70 3h3c h SER 596 Ca 0.05 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.62 3h3c h SER 596 Cb 0.48 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3h3c h SER 596 CO 0.03 0.70 -0.16 0.40 -1.14 0.00 0.00 176.83 176.66 3h3c h ILE 597 N 0.30 1.33 -0.03 3.27 2.04 -0.89 -0.42 117.51 123.11 3h3c h ILE 597 Ca 0.08 -1.31 -0.24 0.00 1.00 0.00 0.00 64.86 64.39 3h3c h ILE 597 Cb 0.44 1.80 0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3h3c h ILE 597 CO 0.02 0.39 -0.92 0.78 0.00 0.00 0.00 178.15 178.42 3h3c h ASN 598 N 0.07 0.86 0.00 1.72 -0.26 -0.85 -3.39 115.58 113.73 3h3c h ASN 598 Ca 0.03 -0.72 0.00 0.00 -0.56 0.00 0.00 56.30 55.05 3h3c h ASN 598 Cb 0.69 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 3h3c h ASN 598 CO 0.04 1.46 0.00 0.49 -1.06 0.00 0.00 177.43 178.36 3h3c n PHE 599 N -3.93 0.00 -1.69 1.19 0.99 0.23 -4.98 117.46 109.27 3h3c n PHE 599 Ca -0.10 -0.18 -0.20 0.00 -0.00 0.00 0.00 57.45 56.98 3h3c n PHE 599 Cb 0.82 -0.02 -0.07 0.00 -1.00 0.00 0.00 39.48 39.21 3h3c n PHE 599 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3h3c n ARG 600 N -0.18 -1.48 -2.43 -1.08 1.74 -0.17 -4.95 116.66 108.12 3h3c n ARG 600 Ca 0.00 1.13 -0.42 0.00 -0.77 0.00 0.00 57.85 57.79 3h3c n ARG 600 Cb 0.22 -5.54 -0.03 0.00 -1.02 0.00 0.00 32.46 26.10 3h3c n ARG 600 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h3c s ARG 601 N -3.86 4.36 -0.16 5.56 0.52 -1.18 -4.94 118.95 119.25 3h3c s ARG 601 Ca 0.00 1.72 -0.02 0.00 -0.52 0.00 0.00 55.73 56.90 3h3c s ARG 601 Cb 0.00 -3.53 0.05 0.00 0.52 0.00 0.00 34.95 31.99 3h3c s ARG 601 CO 0.00 -0.43 0.02 0.12 0.02 0.00 0.00 175.30 175.03 3h3c s PHE 602 N 2.06 0.94 0.05 -0.53 5.36 -1.26 -3.23 117.98 121.37 3h3c s PHE 602 Ca 0.57 -0.67 0.00 0.00 -0.96 0.00 0.00 56.93 55.87 3h3c s PHE 602 Cb -0.26 -0.97 -0.00 0.00 -0.34 0.00 0.00 43.02 41.44 3h3c s PHE 602 CO 0.24 -0.53 0.01 0.25 -1.46 0.00 0.00 175.22 173.72 3h3c n THR 603 N 5.07 0.00 -0.22 0.12 -2.24 -1.26 -5.00 114.28 110.75 3h3c n THR 603 Ca -0.09 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 3h3c n THR 603 Cb 0.48 0.07 0.03 0.00 -2.10 0.00 0.00 70.33 68.82 3h3c n THR 603 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3h3c h THR 604 N 1.05 1.25 -0.08 4.28 2.02 -1.96 -2.51 112.91 116.97 3h3c h THR 604 Ca -0.04 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.21 3h3c h THR 604 Cb 0.13 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3h3c h THR 604 CO 0.06 0.33 -0.19 0.00 0.37 0.00 0.00 175.52 176.09 3h3c h ALA 605 N 1.06 1.54 -0.23 6.16 0.00 -1.93 -0.40 119.26 125.46 3h3c h ALA 605 Ca 0.20 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3h3c h ALA 605 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3h3c h ALA 605 CO -0.00 0.34 -0.44 0.77 0.00 0.00 0.00 179.25 179.91 3h3c h SER 606 N 0.12 0.61 -0.53 0.00 0.02 -1.89 -2.48 113.55 109.40 3h3c h SER 606 Ca 0.02 -0.28 -0.08 0.00 -0.84 0.00 0.00 61.79 60.61 3h3c h SER 606 Cb 0.42 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 3h3c h SER 606 CO 0.03 0.97 0.03 0.44 -1.14 0.00 0.00 176.83 177.15 3h3c h ASP 607 N 0.46 0.92 -0.42 3.07 3.32 -0.86 -1.26 116.42 121.65 3h3c h ASP 607 Ca 0.03 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 56.89 3h3c h ASP 607 Cb 0.96 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 3h3c h ASP 607 CO 0.09 0.96 0.19 0.58 -1.72 0.00 0.00 179.24 179.34 3h3c h VAL 608 N 0.88 0.93 0.09 -1.35 2.07 -0.90 0.33 116.25 118.30 3h3c h VAL 608 Ca 0.17 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3h3c h VAL 608 Cb 0.48 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3h3c h VAL 608 CO 0.02 0.07 -0.18 -0.25 0.02 0.00 0.00 177.57 177.25 3h3c h TRP 609 N 0.39 -0.46 -0.80 1.57 2.91 -1.30 -1.92 115.95 116.34 3h3c h TRP 609 Ca 0.19 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.17 3h3c h TRP 609 Cb 0.13 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.94 3h3c h TRP 609 CO -0.12 -0.26 0.31 1.98 -1.03 0.00 0.00 178.44 179.32 3h3c h MET 610 N -0.34 1.20 -1.00 2.65 4.05 -0.96 -2.27 114.93 118.26 3h3c h MET 610 Ca 0.03 -0.22 0.03 0.00 -0.28 0.00 0.00 59.70 59.26 3h3c h MET 610 Cb 0.36 -0.19 -0.06 0.00 -0.80 0.00 0.00 31.60 30.91 3h3c h MET 610 CO -0.11 0.97 0.66 0.35 0.23 0.00 0.00 176.91 179.01 3h3c h PHE 611 N 1.16 1.23 -0.58 1.39 3.57 -0.20 -0.71 116.94 122.81 3h3c h PHE 611 Ca 0.26 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.71 3h3c h PHE 611 Cb 0.23 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 3h3c h PHE 611 CO 0.02 0.72 0.02 0.00 -2.23 0.00 0.00 178.31 176.84 3h3c h ALA 612 N 1.40 0.95 -0.47 2.41 0.00 -0.85 -1.10 119.26 121.61 3h3c h ALA 612 Ca 0.39 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3h3c h ALA 612 Cb -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3h3c h ALA 612 CO -0.12 0.64 0.22 0.28 0.00 0.00 0.00 179.25 180.27 3h3c h VAL 613 N 0.91 0.93 -0.98 0.00 2.07 -0.96 -0.28 116.25 117.94 3h3c h VAL 613 Ca 0.17 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.60 3h3c h VAL 613 Cb 0.50 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3h3c h VAL 613 CO 0.02 0.08 0.64 0.00 0.02 0.00 0.00 177.57 178.33 3h3c h MET 615 N 1.15 1.11 -0.54 0.00 2.86 -0.45 -0.79 114.93 118.28 3h3c h MET 615 Ca 0.42 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.93 3h3c h MET 615 Cb 0.15 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3h3c h MET 615 CO -0.16 0.84 0.34 2.35 1.06 0.00 0.00 176.91 181.34 3h3c h TRP 616 N 1.09 0.64 -0.78 -0.22 7.01 -0.51 0.44 115.95 123.61 3h3c h TRP 616 Ca 0.27 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 3h3c h TRP 616 Cb 0.08 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 26.89 3h3c h TRP 616 CO 0.01 0.38 0.45 0.93 -2.79 0.00 0.00 178.44 177.41 3h3c h GLU 617 N 0.68 1.08 -0.03 2.65 5.08 -0.63 -0.93 114.58 122.48 3h3c h GLU 617 Ca 0.21 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3h3c h GLU 617 Cb -0.02 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 3h3c h GLU 617 CO -0.07 0.79 0.01 0.82 -1.00 0.00 0.00 179.01 179.55 3h3c h ILE 618 N 1.08 1.14 0.00 3.13 2.04 -0.62 0.44 117.51 124.71 3h3c h ILE 618 Ca 0.28 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3h3c h ILE 618 Cb 0.00 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3h3c h ILE 618 CO -0.05 0.11 0.00 -0.07 0.00 0.00 0.00 178.15 178.14 3h3c h LEU 619 N -0.11 0.00 -2.16 1.44 -0.00 -0.82 -1.16 115.31 112.50 3h3c h LEU 619 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3h3c h LEU 619 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 3h3c h LEU 619 CO -0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 178.44 177.24 3h3c n SER 620 N -2.42 3.15 -2.80 -0.43 7.64 -0.36 -4.61 113.62 113.79 3h3c n SER 620 Ca 0.02 -2.02 -0.21 0.00 1.01 0.00 0.00 58.87 57.67 3h3c n SER 620 Cb 0.28 -0.40 0.03 0.00 -1.01 0.00 0.00 64.21 63.11 3h3c n SER 620 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3h3c n PHE 621 N 1.19 -1.74 -0.52 1.43 3.01 -0.44 -3.24 117.46 117.15 3h3c n PHE 621 Ca 0.20 0.42 0.00 0.00 1.01 0.00 0.00 57.45 59.08 3h3c n PHE 621 Cb 0.50 -4.31 0.00 0.00 -0.01 0.00 0.00 39.48 35.66 3h3c n PHE 621 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h3c n GLY 622 N -1.42 0.69 3.74 1.37 0.00 0.15 -3.64 105.19 106.07 3h3c n GLY 622 Ca -0.13 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 3h3c n GLY 622 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3c s LYS 623 N -0.94 2.50 0.08 1.61 1.02 -1.20 -4.98 119.74 117.83 3h3c s LYS 623 Ca 0.00 1.69 -0.28 0.00 0.02 0.00 0.00 55.97 57.40 3h3c s LYS 623 Cb 0.00 -1.88 -0.06 0.00 -0.52 0.00 0.00 37.83 35.37 3h3c s LYS 623 CO 0.00 -1.54 0.88 -1.14 -0.92 0.00 0.00 175.35 172.63 3h3c s GLN 624 N -3.81 4.61 0.36 1.68 0.74 -1.26 -4.63 119.66 117.35 3h3c s GLN 624 Ca 0.73 1.30 -0.28 0.00 0.05 0.00 0.00 55.36 57.15 3h3c s GLN 624 Cb -0.27 -3.37 -0.11 0.00 1.10 0.00 0.00 33.01 30.35 3h3c s GLN 624 CO 0.41 0.24 1.49 -1.25 -0.55 0.00 0.00 175.29 175.63 3h3c s PRO 625 N -0.01 4.13 -1.45 1.67 0.04 -1.26 -2.57 135.00 135.55 3h3c s PRO 625 Ca 0.44 2.54 -0.10 0.00 0.04 0.00 0.00 61.00 63.92 3h3c s PRO 625 Cb -0.22 -2.99 0.06 0.00 0.04 0.00 0.00 34.50 31.39 3h3c s PRO 625 CO 0.27 -0.52 0.75 1.19 0.04 0.00 0.00 177.00 178.73 3h3c n PHE 626 N 0.80 -2.11 0.32 0.56 3.72 -1.26 -4.82 117.46 114.67 3h3c n PHE 626 Ca 0.02 0.68 0.19 0.00 -0.05 0.00 0.00 57.45 58.30 3h3c n PHE 626 Cb 0.39 -3.87 1.06 0.00 -0.94 0.00 0.00 39.48 36.12 3h3c n PHE 626 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3h3c h PHE 627 N -1.61 0.00 -0.03 1.38 -5.15 -1.91 0.11 116.94 109.73 3h3c h PHE 627 Ca -0.52 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.25 3h3c h PHE 627 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.52 3h3c h PHE 627 CO 0.59 0.01 0.00 -2.67 -2.00 0.00 0.00 178.31 174.24 3h3c n TRP 628 N -3.36 0.03 -4.46 6.09 2.14 -1.26 -4.84 117.44 111.77 3h3c n TRP 628 Ca -0.03 -0.01 -0.26 0.00 2.07 0.00 0.00 57.50 59.27 3h3c n TRP 628 Cb 0.10 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.50 3h3c n TRP 628 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 3h3c s LEU 629 N -1.91 2.91 0.25 5.67 1.43 0.38 -5.14 118.68 122.27 3h3c s LEU 629 Ca 0.39 -1.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.27 3h3c s LEU 629 Cb 0.20 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 3h3c s LEU 629 CO 0.33 -0.37 0.48 -0.70 0.23 0.00 0.00 176.35 176.32 3h3c s GLU 630 N -3.72 3.57 0.25 1.70 2.12 -1.26 -5.02 118.70 116.34 3h3c s GLU 630 Ca 0.35 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.49 3h3c s GLU 630 Cb 0.05 -2.73 0.48 0.00 0.26 0.00 0.00 34.13 32.19 3h3c s GLU 630 CO 0.19 0.29 1.76 -0.91 -0.54 0.00 0.00 175.26 176.05 3h3c h ASN 631 N 1.77 0.48 0.09 -1.70 2.35 -2.01 -0.83 115.58 115.74 3h3c h ASN 631 Ca -0.48 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3h3c h ASN 631 Cb 1.19 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.57 3h3c h ASN 631 CO 0.67 0.22 -0.02 0.07 -1.65 0.00 0.00 177.43 176.71 3h3c h LYS 632 N 0.60 0.00 0.00 0.81 2.10 -2.02 -2.67 116.57 115.39 3h3c h LYS 632 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 3h3c h LYS 632 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 3h3c h LYS 632 CO -0.35 0.02 -0.54 -0.44 -2.00 0.00 0.00 179.45 176.14 3h3c h ASP 633 N 0.00 0.00 0.65 7.07 3.32 -1.55 -3.40 116.42 122.51 3h3c h ASP 633 Ca -0.00 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3h3c h ASP 633 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3h3c h ASP 633 CO 0.00 0.04 -0.47 0.58 -1.72 0.00 0.00 179.24 177.68 3h3c h VAL 634 N 0.00 0.07 -0.82 -1.35 2.07 -1.46 -2.87 116.25 111.88 3h3c h VAL 634 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 3h3c h VAL 634 Cb 0.86 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 3h3c h VAL 634 CO 0.00 0.00 0.41 -0.29 0.02 0.00 0.00 177.57 177.71 3h3c h ILE 635 N -1.07 0.74 -0.57 4.57 6.09 -1.78 -1.08 117.51 124.41 3h3c h ILE 635 Ca -0.08 -0.21 -0.03 0.00 -1.37 0.00 0.00 64.86 63.18 3h3c h ILE 635 Cb 0.89 0.08 -0.03 0.00 0.47 0.00 0.00 36.82 38.23 3h3c h ILE 635 CO 0.04 0.11 0.26 1.23 -3.07 0.00 0.00 178.15 176.72 3h3c h GLY 636 N 0.60 0.90 0.85 8.18 0.00 -1.80 0.12 103.07 111.92 3h3c h GLY 636 Ca 0.44 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.33 3h3c h GLY 636 CO -0.36 0.44 -0.00 -2.08 0.00 0.00 0.00 176.54 174.54 3h3c h VAL 637 N 0.78 0.93 -0.55 4.60 2.07 -1.05 -2.28 116.25 120.75 3h3c h VAL 637 Ca 0.19 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.76 3h3c h VAL 637 Cb 0.15 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3h3c h VAL 637 CO -0.02 0.01 0.25 -0.07 0.02 0.00 0.00 177.57 177.76 3h3c h LEU 638 N 0.03 0.33 -2.19 2.57 3.38 -0.71 -1.82 115.31 116.90 3h3c h LEU 638 Ca 0.05 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3h3c h LEU 638 Cb 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3h3c h LEU 638 CO -0.08 0.22 -0.06 -0.33 0.09 0.00 0.00 178.44 178.28 3h3c h GLU 639 N 0.48 0.00 0.00 1.13 4.39 -0.53 0.23 114.58 120.29 3h3c h GLU 639 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3h3c h GLU 639 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3h3c h GLU 639 CO -0.21 0.06 0.00 1.63 -1.16 0.00 0.00 179.01 179.34 3h3c n LYS 640 N -3.71 0.05 -0.52 2.33 5.02 -0.70 -4.91 118.16 115.71 3h3c n LYS 640 Ca -0.02 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 3h3c n LYS 640 Cb 0.16 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3h3c n LYS 640 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h3c n GLY 641 N 0.77 0.75 3.85 0.72 0.00 0.07 -5.05 105.19 106.28 3h3c n GLY 641 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3h3c n GLY 641 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h3c s ASP 642 N -2.35 6.80 0.10 1.61 1.01 -1.11 -5.04 116.67 117.68 3h3c s ASP 642 Ca 0.00 1.28 -0.07 0.00 0.71 0.00 0.00 52.55 54.47 3h3c s ASP 642 Cb 0.00 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 3h3c s ASP 642 CO 0.00 -0.17 0.17 -0.13 0.21 0.00 0.00 175.17 175.25 3h3c s ARG 643 N -2.85 0.87 0.22 8.23 1.81 -1.26 -4.28 118.95 121.69 3h3c s ARG 643 Ca 0.52 -1.07 -0.32 0.00 -1.72 0.00 0.00 55.73 53.15 3h3c s ARG 643 Cb -0.11 0.32 -0.14 0.00 -0.45 0.00 0.00 34.95 34.57 3h3c s ARG 643 CO 0.18 -0.27 1.35 1.28 -0.68 0.00 0.00 175.30 177.15 3h3c n LEU 644 N -0.07 2.71 -4.89 2.53 4.77 -1.26 -4.96 117.00 115.84 3h3c n LEU 644 Ca -0.13 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.70 3h3c n LEU 644 Cb 0.62 -1.37 0.04 0.00 -2.33 0.00 0.00 43.42 40.38 3h3c n LEU 644 CO 0.24 -0.69 0.71 -2.16 -1.33 0.00 0.00 177.39 174.16 3h3c s PRO 645 N -0.40 3.03 0.08 3.23 0.04 -1.26 -4.98 135.00 134.74 3h3c s PRO 645 Ca 0.69 0.45 -0.31 0.00 0.04 0.00 0.00 61.00 61.88 3h3c s PRO 645 Cb -0.70 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.69 3h3c s PRO 645 CO 0.50 -0.88 1.43 0.21 0.04 0.00 0.00 177.00 178.31 3h3c s LYS 646 N -5.26 4.29 0.41 4.56 2.20 -1.26 -4.98 119.74 119.70 3h3c s LYS 646 Ca 0.57 2.09 -0.26 0.00 -0.36 0.00 0.00 55.97 58.00 3h3c s LYS 646 Cb -0.11 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 3h3c s LYS 646 CO 0.51 -0.53 1.36 -2.14 -0.36 0.00 0.00 175.35 174.20 3h3c s PRO 647 N 1.71 3.94 0.29 4.03 0.02 -1.26 -4.92 135.00 138.80 3h3c s PRO 647 Ca 0.66 2.29 -0.03 0.00 0.02 0.00 0.00 61.00 63.94 3h3c s PRO 647 Cb -0.36 -2.78 0.61 0.00 0.02 0.00 0.00 34.50 31.99 3h3c s PRO 647 CO 0.29 -0.57 1.57 0.22 -0.33 0.00 0.00 177.00 178.18 3h3c h ASP 648 N 2.68 -0.69 -0.11 2.53 3.58 -1.94 0.49 116.42 122.96 3h3c h ASP 648 Ca -0.50 0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.24 3h3c h ASP 648 Cb 1.25 0.55 0.00 0.00 1.72 0.00 0.00 39.33 42.85 3h3c h ASP 648 CO 0.63 -0.34 0.00 0.18 -2.88 0.00 0.00 179.24 176.82 3h3c n LEU 649 N -5.55 2.11 -4.67 2.28 4.77 -1.26 -4.88 117.00 109.79 3h3c n LEU 649 Ca 0.20 -0.78 -0.42 0.00 -0.03 0.00 0.00 56.01 54.97 3h3c n LEU 649 Cb 0.64 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 3h3c n LEU 649 CO -0.09 0.39 1.11 0.00 -1.33 0.00 0.00 177.39 177.47 3h3c n PRO 651 N 6.00 2.69 -0.34 0.00 -0.02 -1.26 -4.82 135.00 137.26 3h3c n PRO 651 Ca 0.13 0.95 0.18 0.00 -2.02 0.00 0.00 63.50 62.75 3h3c n PRO 651 Cb 0.44 -2.72 0.39 0.00 -0.02 0.00 0.00 33.50 31.60 3h3c n PRO 651 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h3c h PRO 652 N 4.10 0.55 -0.62 0.52 0.11 -1.96 0.14 132.00 134.84 3h3c h PRO 652 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3h3c h PRO 652 Cb 1.23 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3h3c h PRO 652 CO 0.74 0.36 0.33 -0.24 -0.21 0.00 0.00 178.00 178.97 3h3c h VAL 653 N 0.56 1.19 -0.10 3.15 3.04 -2.00 -0.59 116.25 121.51 3h3c h VAL 653 Ca 0.65 -0.49 -0.23 0.00 -1.01 0.00 0.00 66.70 65.62 3h3c h VAL 653 Cb 1.26 0.37 0.01 0.00 -2.01 0.00 0.00 31.29 30.92 3h3c h VAL 653 CO -0.48 0.21 -0.86 0.25 -1.01 0.00 0.00 177.57 175.69 3h3c h LEU 654 N 0.86 0.88 -0.74 3.16 5.85 -1.16 -2.35 115.31 121.80 3h3c h LEU 654 Ca 0.22 -0.61 0.02 0.00 0.84 0.00 0.00 57.88 58.35 3h3c h LEU 654 Cb 0.04 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3h3c h LEU 654 CO -0.03 1.41 0.48 0.22 -0.34 0.00 0.00 178.44 180.17 3h3c h TYR 655 N 0.46 0.90 -0.69 1.25 3.20 -0.61 0.13 116.97 121.62 3h3c h TYR 655 Ca -0.07 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.88 3h3c h TYR 655 Cb 1.49 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 39.40 3h3c h TYR 655 CO 0.09 0.53 0.39 1.15 -1.64 0.00 0.00 178.16 178.68 3h3c h THR 656 N 0.95 0.97 -0.10 1.81 2.02 -1.05 0.11 112.91 117.62 3h3c h THR 656 Ca 0.29 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.27 3h3c h THR 656 Cb -0.03 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.53 3h3c h THR 656 CO -0.09 0.13 -0.21 0.25 0.37 0.00 0.00 175.52 175.97 3h3c h LEU 657 N 0.71 -0.64 -0.77 2.58 5.85 -0.94 -1.92 115.31 120.18 3h3c h LEU 657 Ca 0.31 0.10 0.11 0.00 0.84 0.00 0.00 57.88 59.24 3h3c h LEU 657 Cb 0.19 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 3h3c h LEU 657 CO -0.18 -0.26 0.39 0.24 -0.34 0.00 0.00 178.44 178.28 3h3c h MET 658 N -0.28 0.61 -0.79 1.25 2.86 -0.00 -1.84 114.93 116.74 3h3c h MET 658 Ca 0.09 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3h3c h MET 658 Cb 0.41 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3h3c h MET 658 CO -0.26 0.40 0.52 1.15 1.06 0.00 0.00 176.91 179.78 3h3c h THR 659 N 0.63 1.15 -0.23 2.22 2.02 -0.52 -0.69 112.91 117.48 3h3c h THR 659 Ca 0.39 -0.34 -0.14 0.00 0.77 0.00 0.00 66.41 67.08 3h3c h THR 659 Cb 0.46 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3h3c h THR 659 CO -0.30 0.18 -0.45 0.03 0.37 0.00 0.00 175.52 175.35 3h3c h ARG 660 N 1.00 0.59 0.00 6.66 2.47 -0.55 -2.48 114.38 122.07 3h3c h ARG 660 Ca 0.30 -0.33 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3h3c h ARG 660 Cb -0.01 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3h3c h ARG 660 CO -0.08 0.92 -0.07 0.00 0.56 0.00 0.00 179.97 181.31 3h3c n TRP 662 N -3.44 2.36 -1.87 0.00 8.01 -0.62 -3.80 117.44 118.09 3h3c n TRP 662 Ca -0.02 -1.12 -0.42 0.00 -1.31 0.00 0.00 57.50 54.64 3h3c n TRP 662 Cb 0.21 -0.66 -0.03 0.00 -2.01 0.00 0.00 31.31 28.82 3h3c n TRP 662 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 3h3c s ASP 663 N -0.91 6.50 0.22 -0.99 -0.00 -0.83 -4.89 116.67 115.77 3h3c s ASP 663 Ca 0.53 2.76 -0.08 0.00 -0.00 0.00 0.00 52.55 55.75 3h3c s ASP 663 Cb 0.42 -2.61 0.31 0.00 -0.00 0.00 0.00 42.92 41.04 3h3c s ASP 663 CO 0.13 -0.86 1.77 0.22 -0.00 0.00 0.00 175.17 176.43 3h3c h TYR 664 N 6.08 0.54 -3.30 4.23 3.20 -1.92 -3.38 116.97 122.42 3h3c h TYR 664 Ca -0.44 0.03 -0.57 0.00 3.14 0.00 0.00 58.73 60.89 3h3c h TYR 664 Cb 1.21 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 3h3c h TYR 664 CO 0.62 0.18 1.01 0.34 -1.64 0.00 0.00 178.16 178.68 3h3c s ASP 665 N -5.46 6.50 0.56 -2.11 3.68 -1.26 -4.90 116.67 113.68 3h3c s ASP 665 Ca -0.13 0.90 0.23 0.00 2.13 0.00 0.00 52.55 55.68 3h3c s ASP 665 Cb 0.17 -2.54 1.57 0.00 -1.45 0.00 0.00 42.92 40.67 3h3c s ASP 665 CO 0.75 -1.29 2.21 1.55 0.13 0.00 0.00 175.17 178.52 3h3c h PRO 666 N 10.00 0.00 0.00 4.34 0.13 -1.96 -1.76 132.00 142.75 3h3c h PRO 666 Ca -0.26 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 3h3c h PRO 666 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3h3c h PRO 666 CO 1.07 0.00 -0.13 0.77 -0.23 0.00 0.00 178.00 179.48 3h3c h SER 667 N 0.00 0.00 0.63 1.44 0.02 -1.93 -2.94 113.55 110.76 3h3c h SER 667 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h3c h SER 667 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3h3c h SER 667 CO -0.00 0.13 -0.65 0.47 -1.14 0.00 0.00 176.83 175.64 3h3c n ASP 668 N -3.55 0.60 -4.77 3.07 9.92 -0.66 -4.91 116.55 116.24 3h3c n ASP 668 Ca -0.01 -0.10 -0.39 0.00 -0.53 0.00 0.00 54.79 53.76 3h3c n ASP 668 Cb 0.27 0.32 -0.02 0.00 -0.64 0.00 0.00 41.12 41.05 3h3c n ASP 668 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3h3c s ARG 669 N -3.10 4.16 0.84 -1.24 0.52 -1.11 -4.98 118.95 114.03 3h3c s ARG 669 Ca 0.08 1.85 -0.13 0.00 -0.52 0.00 0.00 55.73 57.01 3h3c s ARG 669 Cb 0.15 -2.76 0.09 0.00 0.52 0.00 0.00 34.95 32.95 3h3c s ARG 669 CO 0.73 -0.23 1.08 -2.30 0.02 0.00 0.00 175.30 174.60 3h3c n PRO 670 N 0.26 0.01 -2.41 3.54 -0.02 -1.26 -5.02 135.00 130.10 3h3c n PRO 670 Ca 0.03 0.08 -0.27 0.00 -2.02 0.00 0.00 63.50 61.32 3h3c n PRO 670 Cb 0.46 -2.34 0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3h3c n PRO 670 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3h3c s ARG 671 N -4.09 3.21 0.51 -0.52 1.81 -1.26 -4.94 118.95 113.67 3h3c s ARG 671 Ca 0.70 0.17 0.16 0.00 -1.72 0.00 0.00 55.73 55.04 3h3c s ARG 671 Cb -0.28 -2.28 1.23 0.00 -0.45 0.00 0.00 34.95 33.18 3h3c s ARG 671 CO 0.54 -0.52 2.13 0.74 -0.68 0.00 0.00 175.30 177.51 3h3c h PHE 672 N -0.07 0.06 -0.35 -0.53 0.04 -1.94 -1.84 116.94 112.31 3h3c h PHE 672 Ca -0.46 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.23 3h3c h PHE 672 Cb 1.23 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.35 3h3c h PHE 672 CO 0.53 0.04 -0.10 1.79 -0.60 0.00 0.00 178.31 179.97 3h3c h THR 673 N 0.07 1.28 -0.42 -1.55 1.35 -1.92 -1.81 112.91 109.90 3h3c h THR 673 Ca 0.04 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.72 3h3c h THR 673 Cb 0.06 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 3h3c h THR 673 CO -0.00 0.38 0.25 -0.33 -0.25 0.00 0.00 175.52 175.57 3h3c h GLU 674 N 0.48 0.57 -1.00 4.72 5.08 -1.90 -2.88 114.58 119.65 3h3c h GLU 674 Ca 0.09 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3h3c h GLU 674 Cb 0.61 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 3h3c h GLU 674 CO 0.04 0.43 0.66 -0.07 -1.00 0.00 0.00 179.01 179.07 3h3c h LEU 675 N 0.55 1.13 -0.41 1.33 3.38 -1.19 -0.98 115.31 119.13 3h3c h LEU 675 Ca 0.15 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.16 3h3c h LEU 675 Cb 0.01 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 3h3c h LEU 675 CO -0.03 0.80 0.07 0.58 0.09 0.00 0.00 178.44 179.95 3h3c h VAL 676 N 1.33 0.77 0.21 1.22 2.07 -1.19 0.18 116.25 120.83 3h3c h VAL 676 Ca 0.38 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.83 3h3c h VAL 676 Cb -0.10 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3h3c h VAL 676 CO -0.10 0.03 -0.15 0.00 0.02 0.00 0.00 177.57 177.38 3h3c h SER 678 N -0.35 0.32 0.20 0.00 0.02 -1.05 -2.33 113.55 110.35 3h3c h SER 678 Ca -0.01 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 3h3c h SER 678 Cb 0.31 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3h3c h SER 678 CO 0.00 0.22 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.22 3h3c h LEU 679 N 0.45 0.47 -0.59 5.07 3.38 -0.42 -0.82 115.31 122.85 3h3c h LEU 679 Ca 0.22 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 58.02 3h3c h LEU 679 Cb 0.15 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 3h3c h LEU 679 CO -0.17 0.98 0.10 -1.28 0.09 0.00 0.00 178.44 178.16 3h3c h SER 680 N 0.30 -0.06 -0.16 -0.43 0.87 -0.59 0.24 113.55 113.73 3h3c h SER 680 Ca -0.01 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3h3c h SER 680 Cb 1.17 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 3h3c h SER 680 CO 0.11 -0.02 0.03 0.44 -0.53 0.00 0.00 176.83 176.86 3h3c h ASP 681 N 0.22 0.24 -0.43 6.23 3.32 -0.81 0.11 116.42 125.30 3h3c h ASP 681 Ca 0.31 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3h3c h ASP 681 Cb 0.47 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3h3c h ASP 681 CO -0.42 0.42 0.28 0.58 -1.72 0.00 0.00 179.24 178.38 3h3c h VAL 682 N 0.05 1.11 -0.24 -1.35 2.07 -1.03 -1.39 116.25 115.47 3h3c h VAL 682 Ca 0.05 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3h3c h VAL 682 Cb 0.28 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3h3c h VAL 682 CO 0.00 0.11 0.11 0.22 0.02 0.00 0.00 177.57 178.03 3h3c h TYR 683 N 0.58 0.19 -0.60 1.57 3.20 -0.25 0.79 116.97 122.46 3h3c h TYR 683 Ca 0.16 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3h3c h TYR 683 Cb -0.06 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 3h3c h TYR 683 CO -0.04 0.10 0.29 1.96 -1.64 0.00 0.00 178.16 178.83 3h3c h GLN 684 N 0.23 0.85 -0.28 1.82 1.08 -0.55 -0.22 115.11 118.04 3h3c h GLN 684 Ca 0.10 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 3h3c h GLN 684 Cb 0.04 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 3h3c h GLN 684 CO -0.08 0.66 0.01 1.98 -0.95 0.00 0.00 178.83 180.45 3h3c h MET 685 N 0.85 0.48 -0.39 1.46 4.05 -0.62 -1.74 114.93 119.02 3h3c h MET 685 Ca 0.21 -0.15 -0.08 0.00 -0.28 0.00 0.00 59.70 59.40 3h3c h MET 685 Cb 0.09 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 3h3c h MET 685 CO -0.03 0.63 -0.09 0.93 0.23 0.00 0.00 176.91 178.58 3h3c h GLU 686 N 0.28 0.67 0.45 0.39 4.39 -0.36 -0.57 114.58 119.83 3h3c h GLU 686 Ca 0.08 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 3h3c h GLU 686 Cb 0.40 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3h3c h GLU 686 CO 0.01 0.75 -0.22 -0.22 -1.16 0.00 0.00 179.01 178.17 3h3c h LYS 687 N 0.61 -0.59 -0.28 2.33 3.64 -0.98 -1.77 116.57 119.54 3h3c h LYS 687 Ca 0.11 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 3h3c h LYS 687 Cb 0.52 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.41 3h3c h LYS 687 CO 0.03 -0.37 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.25 3h3c h ASP 688 N -0.65 -0.50 -0.65 4.20 3.32 -1.01 -0.33 116.42 120.80 3h3c h ASP 688 Ca -0.06 0.11 0.12 0.00 0.02 0.00 0.00 57.03 57.22 3h3c h ASP 688 Cb 0.49 0.27 -0.09 0.00 0.22 0.00 0.00 39.33 40.22 3h3c h ASP 688 CO 0.10 -0.18 0.18 0.40 -1.72 0.00 0.00 179.24 178.02 3h3c h ILE 689 N -0.11 0.65 0.00 0.35 2.04 -1.09 -2.02 117.51 117.32 3h3c h ILE 689 Ca 0.15 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 3h3c h ILE 689 Cb 0.34 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3h3c h ILE 689 CO -0.35 0.06 -0.45 0.00 0.00 0.00 0.00 178.15 177.41 3h3c h ALA 690 N 1.50 0.82 -0.00 1.87 0.00 -0.35 -3.15 119.26 119.95 3h3c h ALA 690 Ca 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h3c h ALA 690 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h3c h ALA 690 CO -0.40 0.56 -0.13 -1.33 0.00 0.00 0.00 179.25 177.95 3h3c n MET 691 N -3.37 0.43 0.00 0.00 2.81 -0.24 -5.10 117.12 111.65 3h3c n MET 691 Ca 0.01 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 3h3c n MET 691 Cb 0.62 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 3h3c n MET 691 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63