#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gab n PRO 437 N 0.00 1.79 -1.92 5.55 -0.04 -1.26 -4.91 135.00 134.21 3gab n PRO 437 Ca 0.00 0.64 -0.40 0.00 -0.04 0.00 0.00 63.50 63.71 3gab n PRO 437 Cb 0.00 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 3gab n PRO 437 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gab s ILE 438 N 0.52 2.34 -0.10 0.52 1.01 -1.26 -5.02 121.20 119.22 3gab s ILE 438 Ca 0.78 0.30 0.02 0.00 0.00 0.00 0.00 60.65 61.75 3gab s ILE 438 Cb -0.76 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 3gab s ILE 438 CO 0.44 0.05 -0.17 -0.04 0.00 0.00 0.00 174.94 175.21 3gab s MET 439 N -2.32 3.01 -0.11 2.79 -1.94 -1.26 -4.69 119.30 114.79 3gab s MET 439 Ca 0.58 -0.76 -0.05 0.00 -1.71 0.00 0.00 55.69 53.75 3gab s MET 439 Cb -0.41 -2.44 -0.04 0.00 2.01 0.00 0.00 34.83 33.95 3gab s MET 439 CO 0.53 0.32 0.10 0.71 -0.01 0.00 0.00 175.02 176.67 3gab s TYR 440 N 0.05 3.48 0.07 -0.03 2.02 -0.76 -4.87 117.35 117.31 3gab s TYR 440 Ca -0.07 0.44 -0.31 0.00 -0.37 0.00 0.00 57.07 56.76 3gab s TYR 440 Cb -0.15 -1.90 -0.08 0.00 -0.40 0.00 0.00 41.96 39.44 3gab s TYR 440 CO 0.05 0.67 1.53 -2.14 -1.57 0.00 0.00 175.55 174.08 3gab s PRO 441 N -1.02 4.24 -0.23 -1.71 0.02 -1.26 -0.75 135.00 134.30 3gab s PRO 441 Ca 0.15 2.19 -0.09 0.00 0.02 0.00 0.00 61.00 63.27 3gab s PRO 441 Cb -0.12 -3.47 -0.18 0.00 0.02 0.00 0.00 34.50 30.75 3gab s PRO 441 CO 0.04 -0.62 -0.06 -0.89 -0.33 0.00 0.00 177.00 175.14 3gab n ILE 442 N 4.48 1.57 -3.20 2.83 5.41 0.15 -4.90 119.36 125.71 3gab n ILE 442 Ca 0.14 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.46 3gab n ILE 442 Cb 0.41 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 3gab n ILE 442 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gab n GLY 443 N 1.75 -1.68 3.41 7.39 0.00 -0.82 -5.01 105.19 110.23 3gab n GLY 443 Ca -0.43 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 3gab n GLY 443 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gab s GLN 444 N -1.94 1.51 -0.01 1.61 -2.07 -1.26 0.43 119.66 117.93 3gab s GLN 444 Ca 0.00 -1.69 0.02 0.00 -1.82 0.00 0.00 55.36 51.87 3gab s GLN 444 Cb 0.00 -1.39 0.00 0.00 -1.09 0.00 0.00 33.01 30.53 3gab s GLN 444 CO 0.00 0.22 -0.07 0.00 -1.32 0.00 0.00 175.29 174.12 3gab s MET 445 N -3.60 0.68 -1.23 9.60 0.23 -0.33 -4.83 119.30 119.82 3gab s MET 445 Ca 0.26 -0.24 0.00 0.00 -1.03 0.00 0.00 55.69 54.68 3gab s MET 445 Cb -0.02 -0.66 0.00 0.00 -1.53 0.00 0.00 34.83 32.62 3gab s MET 445 CO 0.11 0.11 0.00 0.72 -2.03 0.00 0.00 175.02 173.93 3gab n HIS 446 N 3.14 0.00 -1.15 3.16 8.25 -1.26 -2.02 115.22 125.34 3gab n HIS 446 Ca -0.16 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.25 3gab n HIS 446 Cb 0.56 -2.67 -0.02 0.00 1.12 0.00 0.00 29.99 28.98 3gab n HIS 446 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gab n GLY 447 N -0.15 0.54 0.00 -1.41 0.00 -1.26 -4.73 105.19 98.18 3gab n GLY 447 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3gab n GLY 447 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gab n THR 448 N -2.18 0.00 -5.09 2.61 -2.24 -0.99 -3.93 114.28 102.47 3gab n THR 448 Ca -0.05 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 3gab n THR 448 Cb 0.51 0.13 -0.15 0.00 -2.10 0.00 0.00 70.33 68.72 3gab n THR 448 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3gab s TYR 449 N -1.54 2.37 -0.08 4.78 2.02 -0.85 -2.22 117.35 121.81 3gab s TYR 449 Ca 0.00 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 3gab s TYR 449 Cb 0.00 -1.47 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 3gab s TYR 449 CO 0.00 0.05 -0.07 0.42 -1.57 0.00 0.00 175.55 174.38 3gab s ILE 450 N -0.71 3.67 -0.16 2.71 1.01 0.25 -1.18 121.20 126.79 3gab s ILE 450 Ca 0.11 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 3gab s ILE 450 Cb -0.10 -2.52 -0.00 0.00 0.01 0.00 0.00 42.46 39.85 3gab s ILE 450 CO 0.01 0.58 -0.13 -0.76 0.00 0.00 0.00 174.94 174.63 3gab s LEU 451 N -0.57 2.56 0.19 2.97 1.43 0.17 -0.28 118.68 125.15 3gab s LEU 451 Ca 0.08 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3gab s LEU 451 Cb -0.12 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3gab s LEU 451 CO 0.02 0.07 0.10 0.00 0.23 0.00 0.00 176.35 176.77 3gab s ALA 452 N 0.90 1.14 -0.01 4.21 0.00 -0.66 0.31 121.76 127.66 3gab s ALA 452 Ca -0.03 -1.65 -0.17 0.00 0.00 0.00 0.00 51.96 50.11 3gab s ALA 452 Cb -0.15 1.20 0.03 0.00 0.00 0.00 0.00 23.12 24.20 3gab s ALA 452 CO -0.01 -0.54 0.36 1.14 0.00 0.00 0.00 175.76 176.71 3gab s GLN 453 N -4.11 0.75 0.21 0.00 1.03 0.07 -0.90 119.66 116.71 3gab s GLN 453 Ca 0.35 -0.19 0.01 0.00 0.04 0.00 0.00 55.36 55.57 3gab s GLN 453 Cb 0.07 0.34 -0.00 0.00 0.03 0.00 0.00 33.01 33.44 3gab s GLN 453 CO 0.09 -0.22 0.25 0.27 -2.54 0.00 0.00 175.29 173.15 3gab n ASN 454 N 1.09 -0.69 -0.12 12.60 0.23 -0.73 -1.83 115.26 125.81 3gab n ASN 454 Ca -0.21 -2.23 0.25 0.00 -0.53 0.00 0.00 54.58 51.85 3gab n ASN 454 Cb 0.57 1.36 0.69 0.00 -2.08 0.00 0.00 39.78 40.32 3gab n ASN 454 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3gab h GLU 455 N 0.00 0.04 -0.08 -3.83 4.11 -2.02 0.98 114.58 113.78 3gab h GLU 455 Ca -0.16 -0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.15 3gab h GLU 455 Cb 0.73 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3gab h GLU 455 CO 0.22 0.03 -0.50 -0.91 0.07 0.00 0.00 179.01 177.92 3gab h ASN 456 N 0.04 0.24 0.00 3.06 2.35 -1.97 -3.45 115.58 115.86 3gab h ASN 456 Ca 0.37 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3gab h ASN 456 Cb 1.40 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.71 3gab h ASN 456 CO -0.02 0.71 0.00 0.61 -1.65 0.00 0.00 177.43 177.08 3gab n GLY 457 N 0.02 0.28 3.87 2.83 0.00 0.34 -1.38 105.19 111.15 3gab n GLY 457 Ca -0.02 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 3gab n GLY 457 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gab s LEU 458 N 0.00 4.29 -0.07 0.99 2.96 0.18 -1.77 118.68 125.26 3gab s LEU 458 Ca 0.00 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 54.74 3gab s LEU 458 Cb 0.00 -3.24 0.02 0.00 0.50 0.00 0.00 46.19 43.47 3gab s LEU 458 CO 0.00 0.09 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.74 3gab s TYR 459 N -1.55 1.13 -0.21 5.38 1.51 -0.08 -1.55 117.35 121.99 3gab s TYR 459 Ca 0.38 -0.44 -0.06 0.00 -1.01 0.00 0.00 57.07 55.94 3gab s TYR 459 Cb -0.13 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 40.73 3gab s TYR 459 CO 0.20 -0.33 0.03 0.42 -1.11 0.00 0.00 175.55 174.76 3gab s ILE 460 N 1.25 4.20 -0.10 2.71 1.01 0.74 -1.65 121.20 129.37 3gab s ILE 460 Ca -0.05 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.41 3gab s ILE 460 Cb -0.14 -2.91 -0.00 0.00 0.01 0.00 0.00 42.46 39.42 3gab s ILE 460 CO -0.02 0.41 -0.23 -0.63 0.00 0.00 0.00 174.94 174.47 3gab s ILE 461 N 1.01 2.19 -0.83 2.92 1.01 0.61 -0.38 121.20 127.74 3gab s ILE 461 Ca 0.03 -0.98 -0.26 0.00 0.00 0.00 0.00 60.65 59.45 3gab s ILE 461 Cb -0.14 -1.84 0.04 0.00 0.01 0.00 0.00 42.46 40.52 3gab s ILE 461 CO 0.02 0.56 1.32 -0.62 0.00 0.00 0.00 174.94 176.22 3gab s ASP 462 N 0.31 6.27 0.34 3.58 -1.08 0.37 -0.58 116.67 125.88 3gab s ASP 462 Ca -0.17 -0.79 0.03 0.00 -0.52 0.00 0.00 52.55 51.10 3gab s ASP 462 Cb -0.17 -2.56 0.63 0.00 -1.46 0.00 0.00 42.92 39.36 3gab s ASP 462 CO 0.08 -1.72 1.93 0.06 0.52 0.00 0.00 175.17 176.05 3gab h GLN 463 N 9.93 0.65 -0.23 4.34 3.07 -1.76 0.16 115.11 131.26 3gab h GLN 463 Ca -0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 58.65 58.49 3gab h GLN 463 Cb 1.04 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 28.47 3gab h GLN 463 CO 1.32 0.55 0.04 1.25 0.09 0.00 0.00 178.83 182.08 3gab h HIS 464 N 0.64 0.40 -0.46 0.06 2.76 -1.90 0.11 115.15 116.76 3gab h HIS 464 Ca 0.15 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.32 3gab h HIS 464 Cb 0.15 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 28.96 3gab h HIS 464 CO 0.01 0.51 0.20 0.00 -1.30 0.00 0.00 177.93 177.34 3gab h ALA 465 N 0.85 0.56 -0.39 5.26 0.00 -1.75 -1.22 119.26 122.58 3gab h ALA 465 Ca 0.07 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3gab h ALA 465 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gab h ALA 465 CO 0.00 -0.18 0.24 0.00 0.00 0.00 0.00 179.25 179.32 3gab h ALA 466 N 1.27 0.49 0.00 0.00 0.00 -0.68 -0.61 119.26 119.73 3gab h ALA 466 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3gab h ALA 466 Cb 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gab h ALA 466 CO -0.18 -0.08 -0.05 1.96 0.00 0.00 0.00 179.25 180.90 3gab h GLN 467 N 0.49 0.00 -0.00 0.00 4.20 -0.49 -0.12 115.11 119.19 3gab h GLN 467 Ca 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3gab h GLN 467 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3gab h GLN 467 CO -0.05 0.05 -0.00 0.93 -0.67 0.00 0.00 178.83 179.09 3gab h GLU 468 N 0.00 0.00 -0.40 1.46 5.08 -0.28 -2.17 114.58 118.26 3gab h GLU 468 Ca -0.00 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3gab h GLU 468 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3gab h GLU 468 CO 0.01 0.60 0.27 -0.09 -1.00 0.00 0.00 179.01 178.80 3gab h ARG 469 N -0.60 0.44 -0.12 2.33 9.65 -0.67 0.12 114.38 125.53 3gab h ARG 469 Ca -0.00 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 3gab h ARG 469 Cb 0.60 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 3gab h ARG 469 CO 0.00 0.29 -0.07 0.82 2.80 0.00 0.00 179.97 183.81 3gab h ILE 470 N 0.45 1.33 -0.46 1.20 2.04 -1.03 -2.31 117.51 118.73 3gab h ILE 470 Ca 0.16 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 3gab h ILE 470 Cb 0.08 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3gab h ILE 470 CO -0.04 0.33 0.28 0.11 0.00 0.00 0.00 178.15 178.83 3gab h LYS 471 N -0.09 0.62 -0.34 2.37 1.57 -0.81 -2.84 116.57 117.04 3gab h LYS 471 Ca 0.03 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3gab h LYS 471 Cb 0.55 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 3gab h LYS 471 CO 0.02 0.45 -0.11 -0.92 -0.57 0.00 0.00 179.45 178.32 3gab h TYR 472 N 0.61 -0.25 -0.70 -1.35 3.20 -0.75 0.37 116.97 118.09 3gab h TYR 472 Ca 0.16 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.19 3gab h TYR 472 Cb -0.01 0.16 -0.09 0.00 1.54 0.00 0.00 36.73 38.34 3gab h TYR 472 CO -0.03 -0.18 0.26 1.49 -1.64 0.00 0.00 178.16 178.06 3gab h GLU 473 N -0.04 0.41 -0.19 1.82 4.57 -1.27 0.37 114.58 120.26 3gab h GLU 473 Ca 0.17 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 3gab h GLU 473 Cb 0.29 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3gab h GLU 473 CO -0.37 0.27 0.06 -0.92 -1.18 0.00 0.00 179.01 176.87 3gab h TYR 474 N 0.42 0.30 -0.02 0.92 3.20 -1.04 -3.11 116.97 117.64 3gab h TYR 474 Ca 0.37 -0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.97 3gab h TYR 474 Cb 0.53 -0.09 0.02 0.00 1.54 0.00 0.00 36.73 38.73 3gab h TYR 474 CO -0.17 0.39 -0.93 0.74 -1.64 0.00 0.00 178.16 176.55 3gab h PHE 475 N 0.13 0.98 -0.44 -3.82 0.04 -0.13 -2.16 116.94 111.54 3gab h PHE 475 Ca 0.06 -0.52 0.12 0.00 2.80 0.00 0.00 57.97 60.43 3gab h PHE 475 Cb 0.23 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 3gab h PHE 475 CO 0.00 1.35 0.31 -0.09 -0.60 0.00 0.00 178.31 179.28 3gab h ARG 476 N 0.33 0.05 0.05 1.51 9.65 -0.38 0.41 114.38 126.01 3gab h ARG 476 Ca -0.11 -0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.59 3gab h ARG 476 Cb 1.58 -0.01 0.02 0.00 -1.39 0.00 0.00 29.97 30.17 3gab h ARG 476 CO 0.18 0.04 -0.73 1.49 2.80 0.00 0.00 179.97 183.74 3gab h GLU 477 N 0.06 0.41 -0.25 0.20 4.81 -1.45 -3.23 114.58 115.12 3gab h GLU 477 Ca 0.21 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 3gab h GLU 477 Cb 0.75 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3gab h GLU 477 CO -0.01 1.18 0.14 0.87 -0.73 0.00 0.00 179.01 180.45 3gab h LYS 478 N -0.13 0.35 0.00 1.92 1.79 -0.54 -2.73 116.57 117.23 3gab h LYS 478 Ca -0.11 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 3gab h LYS 478 Cb 1.47 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 32.05 3gab h LYS 478 CO 0.14 0.32 -0.02 -0.39 -1.08 0.00 0.00 179.45 178.42 3gab h VAL 479 N 0.29 0.10 0.00 0.50 -1.51 -1.10 -1.90 116.25 112.64 3gab h VAL 479 Ca 0.09 -0.27 -0.05 0.00 -1.23 0.00 0.00 66.70 65.24 3gab h VAL 479 Cb 0.07 1.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 3gab h VAL 479 CO -0.01 0.02 -0.24 1.23 -1.23 0.00 0.00 177.57 177.34 3gab h GLY 480 N 0.87 0.00 -3.79 5.19 0.00 -1.50 -3.43 103.07 100.41 3gab h GLY 480 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3gab h GLY 480 CO 0.00 0.00 0.64 1.18 0.00 0.00 0.00 176.54 178.37 3gab n GLU 481 N -3.35 2.29 0.07 4.80 1.02 -0.72 -4.96 120.64 119.80 3gab n GLU 481 Ca 0.01 0.81 -0.09 0.00 -0.02 0.00 0.00 57.16 57.87 3gab n GLU 481 Cb 0.46 -2.54 -0.06 0.00 -0.02 0.00 0.00 31.44 29.29 3gab n GLU 481 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gab h VAL 482 N 2.49 0.52 -2.91 2.62 2.07 -1.89 -3.40 116.25 115.75 3gab h VAL 482 Ca -0.49 -1.02 -0.61 0.00 0.82 0.00 0.00 66.70 65.40 3gab h VAL 482 Cb 1.27 0.89 -0.41 0.00 -1.52 0.00 0.00 31.29 31.52 3gab h VAL 482 CO 0.62 0.14 -0.66 -0.62 0.02 0.00 0.00 177.57 177.07 3gab n GLU 483 N -4.95 1.51 -2.28 1.57 1.02 -1.26 -5.03 120.64 111.22 3gab n GLU 483 Ca -0.06 -4.22 -0.35 0.00 -0.02 0.00 0.00 57.16 52.51 3gab n GLU 483 Cb 0.22 -2.16 -0.00 0.00 -0.02 0.00 0.00 31.44 29.48 3gab n GLU 483 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gab s PRO 484 N -1.18 3.41 0.24 3.49 0.04 -1.26 -4.96 135.00 134.78 3gab s PRO 484 Ca 0.27 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 3gab s PRO 484 Cb -0.02 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 3gab s PRO 484 CO -0.17 -0.79 1.55 -2.00 0.04 0.00 0.00 177.00 175.63 3gab s GLU 485 N -3.36 4.19 -0.08 4.56 2.12 -1.26 -4.97 118.70 119.90 3gab s GLU 485 Ca 0.71 2.44 -0.01 0.00 0.36 0.00 0.00 54.97 58.48 3gab s GLU 485 Cb -0.22 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 3gab s GLU 485 CO 0.27 -0.56 -0.04 0.08 -0.54 0.00 0.00 175.26 174.46 3gab s VAL 486 N 0.33 3.93 -0.13 3.70 1.01 -1.26 -1.75 120.40 126.23 3gab s VAL 486 Ca 0.64 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 3gab s VAL 486 Cb -0.45 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 3gab s VAL 486 CO 0.42 0.59 -0.07 -1.58 0.00 0.00 0.00 175.10 174.45 3gab s GLN 487 N -0.70 3.39 0.01 2.72 0.74 0.11 -4.78 119.66 121.15 3gab s GLN 487 Ca 0.11 -0.57 -0.30 0.00 0.05 0.00 0.00 55.36 54.64 3gab s GLN 487 Cb -0.11 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 3gab s GLN 487 CO 0.02 0.32 1.13 -2.00 -0.55 0.00 0.00 175.29 174.21 3gab s GLU 488 N 0.11 4.45 0.30 1.67 2.12 -1.26 -1.71 118.70 124.38 3gab s GLU 488 Ca -0.03 1.63 -0.29 0.00 0.36 0.00 0.00 54.97 56.65 3gab s GLU 488 Cb -0.14 -3.43 -0.10 0.00 0.26 0.00 0.00 34.13 30.72 3gab s GLU 488 CO 0.03 -0.24 1.12 -1.64 -0.54 0.00 0.00 175.26 173.99 3gab s MET 489 N 1.35 4.55 0.12 4.30 -1.94 -0.68 -4.95 119.30 122.04 3gab s MET 489 Ca 0.56 1.83 -0.18 0.00 -1.71 0.00 0.00 55.69 56.18 3gab s MET 489 Cb -0.25 -3.10 -0.04 0.00 2.01 0.00 0.00 34.83 33.44 3gab s MET 489 CO 0.27 0.12 1.69 0.82 -0.01 0.00 0.00 175.02 177.91 3gab h ILE 490 N 2.98 1.15 -3.81 2.53 2.04 -1.95 -3.38 117.51 117.07 3gab h ILE 490 Ca -0.47 -0.43 -0.68 0.00 1.00 0.00 0.00 64.86 64.28 3gab h ILE 490 Cb 1.21 0.90 -0.35 0.00 -0.74 0.00 0.00 36.82 37.85 3gab h ILE 490 CO 0.66 0.15 -0.74 -0.69 0.00 0.00 0.00 178.15 177.53 3gab s VAL 491 N -5.72 2.63 0.90 1.67 1.01 -1.26 -5.11 120.40 114.52 3gab s VAL 491 Ca -0.13 -1.51 -0.10 0.00 0.00 0.00 0.00 61.98 60.24 3gab s VAL 491 Cb 0.09 -2.53 0.14 0.00 0.00 0.00 0.00 36.38 34.07 3gab s VAL 491 CO 0.72 -0.08 1.14 -2.16 0.00 0.00 0.00 175.10 174.72 3gab s PRO 492 N 1.18 1.12 0.09 2.72 0.04 -1.26 -5.03 135.00 133.86 3gab s PRO 492 Ca -0.07 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.52 3gab s PRO 492 Cb -0.20 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3gab s PRO 492 CO -0.03 -2.56 0.13 -0.51 0.04 0.00 0.00 177.00 174.07 3gab s LEU 493 N -6.55 3.95 -0.10 -3.56 1.43 0.03 -4.94 118.68 108.94 3gab s LEU 493 Ca 0.66 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 3gab s LEU 493 Cb -0.22 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.42 3gab s LEU 493 CO 0.58 0.15 -0.12 -0.89 0.23 0.00 0.00 176.35 176.29 3gab s THR 494 N -1.49 1.27 -0.03 5.49 2.01 -1.26 -1.14 115.64 120.49 3gab s THR 494 Ca 0.31 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 61.88 3gab s THR 494 Cb -0.12 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 3gab s THR 494 CO 0.24 0.40 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.96 3gab s PHE 495 N 1.10 2.38 -0.03 4.92 0.08 0.54 -4.99 117.98 121.99 3gab s PHE 495 Ca -0.05 -0.47 0.04 0.00 0.12 0.00 0.00 56.93 56.57 3gab s PHE 495 Cb -0.14 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.75 3gab s PHE 495 CO -0.02 -0.05 -0.13 -1.01 -0.10 0.00 0.00 175.22 173.91 3gab s HIS 496 N -0.54 2.74 0.14 0.36 3.76 -1.26 -0.37 115.29 120.12 3gab s HIS 496 Ca 0.08 -0.13 -0.01 0.00 -0.15 0.00 0.00 55.06 54.85 3gab s HIS 496 Cb -0.11 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.94 3gab s HIS 496 CO -0.00 0.25 0.05 0.71 -0.85 0.00 0.00 174.74 174.90 3gab s TYR 497 N -0.82 0.93 0.79 1.40 2.02 0.82 -5.00 117.35 117.49 3gab s TYR 497 Ca 0.13 -1.21 -0.12 0.00 -0.37 0.00 0.00 57.07 55.51 3gab s TYR 497 Cb -0.11 -0.52 0.07 0.00 -0.40 0.00 0.00 41.96 41.00 3gab s TYR 497 CO 0.03 -0.48 1.16 -1.54 -1.57 0.00 0.00 175.55 173.15 3gab s SER 498 N -3.07 4.65 0.15 2.29 1.04 -1.26 -4.72 113.70 112.77 3gab s SER 498 Ca 0.25 0.81 -0.17 0.00 0.48 0.00 0.00 55.95 57.32 3gab s SER 498 Cb 0.07 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.84 3gab s SER 498 CO 0.03 -1.81 1.81 0.74 0.98 0.00 0.00 173.24 174.98 3gab h THR 499 N -0.98 1.10 -0.83 2.02 2.02 -1.98 0.10 112.91 114.35 3gab h THR 499 Ca -0.46 -0.18 0.08 0.00 0.77 0.00 0.00 66.41 66.62 3gab h THR 499 Cb 1.32 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.22 3gab h THR 499 CO 0.65 0.09 0.50 0.78 0.37 0.00 0.00 175.52 177.92 3gab h ASN 500 N 0.50 0.75 -0.32 4.18 2.35 -2.00 -1.03 115.58 120.02 3gab h ASN 500 Ca 0.14 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 3gab h ASN 500 Cb -0.05 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3gab h ASN 500 CO -0.03 0.46 -0.11 -0.33 -1.65 0.00 0.00 177.43 175.76 3gab h GLU 501 N 0.87 0.64 -0.40 0.81 5.08 -1.85 -2.60 114.58 117.14 3gab h GLU 501 Ca 0.38 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3gab h GLU 501 Cb 0.26 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3gab h GLU 501 CO -0.21 0.84 0.20 0.00 -1.00 0.00 0.00 179.01 178.84 3gab h ALA 502 N 0.78 1.61 -0.08 3.43 0.00 -0.27 -1.08 119.26 123.64 3gab h ALA 502 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3gab h ALA 502 Cb 0.62 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gab h ALA 502 CO 0.04 0.33 -0.03 -0.07 0.00 0.00 0.00 179.25 179.51 3gab h LEU 503 N 0.55 0.17 -1.20 0.00 3.38 -1.10 -1.60 115.31 115.51 3gab h LEU 503 Ca 0.14 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.77 3gab h LEU 503 Cb 0.05 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3gab h LEU 503 CO -0.02 0.53 0.55 0.40 0.09 0.00 0.00 178.44 179.99 3gab h ILE 504 N -0.18 1.10 -0.50 1.22 2.04 -1.07 -0.89 117.51 119.22 3gab h ILE 504 Ca 0.02 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 3gab h ILE 504 Cb 0.46 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3gab h ILE 504 CO 0.01 0.18 0.14 0.40 0.00 0.00 0.00 178.15 178.88 3gab h ILE 505 N 1.00 1.24 -0.19 -0.67 2.04 -1.09 -2.65 117.51 117.19 3gab h ILE 505 Ca 0.35 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.32 3gab h ILE 505 Cb 0.12 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3gab h ILE 505 CO -0.12 0.30 -0.18 -0.33 0.00 0.00 0.00 178.15 177.82 3gab h GLU 506 N 0.69 0.33 0.00 2.37 4.39 -0.49 -2.25 114.58 119.62 3gab h GLU 506 Ca 0.16 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3gab h GLU 506 Cb 0.31 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3gab h GLU 506 CO -0.00 0.51 0.00 0.37 -1.16 0.00 0.00 179.01 178.73 3gab h GLN 507 N 0.30 0.00 0.00 2.33 4.15 -0.96 -3.22 115.11 117.71 3gab h GLN 507 Ca 0.05 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3gab h GLN 507 Cb 0.50 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3gab h GLN 507 CO 0.03 0.00 -0.30 0.72 -1.93 0.00 0.00 178.83 177.35 3gab n HIS 508 N -2.65 0.00 -0.27 3.99 8.25 -0.89 -4.77 115.22 118.88 3gab n HIS 508 Ca 0.03 -1.20 0.02 0.00 -0.26 0.00 0.00 57.72 56.31 3gab n HIS 508 Cb 0.35 -0.20 0.15 0.00 1.12 0.00 0.00 29.99 31.42 3gab n HIS 508 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3gab h LYS 509 N 0.53 0.72 -0.11 -0.41 1.63 -1.47 0.01 116.57 117.48 3gab h LYS 509 Ca -0.01 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 3gab h LYS 509 Cb 1.04 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.51 3gab h LYS 509 CO 0.00 0.47 -0.03 1.96 -3.45 0.00 0.00 179.45 178.41 3gab h GLN 510 N 0.74 0.20 -0.59 1.90 1.08 -1.88 -0.09 115.11 116.47 3gab h GLN 510 Ca 0.37 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.52 3gab h GLN 510 Cb 0.34 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.72 3gab h GLN 510 CO -0.24 0.51 0.36 0.93 -0.95 0.00 0.00 178.83 179.44 3gab h GLU 511 N -0.12 0.69 -0.50 1.46 3.07 -1.83 0.10 114.58 117.45 3gab h GLU 511 Ca 0.03 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 3gab h GLU 511 Cb 0.44 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3gab h GLU 511 CO 0.01 0.46 0.11 -0.07 -1.40 0.00 0.00 179.01 178.11 3gab h LEU 512 N 0.71 0.78 -0.65 1.33 3.38 -0.91 -2.84 115.31 117.11 3gab h LEU 512 Ca 0.24 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3gab h LEU 512 Cb 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3gab h LEU 512 CO -0.10 0.82 0.17 -0.33 0.09 0.00 0.00 178.44 179.09 3gab h GLU 513 N 0.70 1.04 0.00 1.13 5.08 -0.70 0.34 114.58 122.17 3gab h GLU 513 Ca 0.16 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3gab h GLU 513 Cb 0.36 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3gab h GLU 513 CO 0.01 0.93 0.00 -1.13 -1.00 0.00 0.00 179.01 177.81 3gab n SER 514 N -4.31 0.00 -0.20 1.42 3.41 0.33 -1.60 113.62 112.68 3gab n SER 514 Ca 0.04 0.47 0.02 0.00 -0.26 0.00 0.00 58.87 59.15 3gab n SER 514 Cb 0.24 -0.48 0.04 0.00 -0.26 0.00 0.00 64.21 63.75 3gab n SER 514 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3gab n VAL 515 N -1.48 0.54 0.00 -3.33 3.14 -0.98 -4.75 118.33 111.46 3gab n VAL 515 Ca 0.02 -0.77 0.00 0.00 -2.96 0.00 0.00 64.34 60.63 3gab n VAL 515 Cb 0.09 0.77 0.00 0.00 -1.06 0.00 0.00 33.84 33.64 3gab n VAL 515 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gab n GLY 516 N 0.03 0.56 3.53 7.55 0.00 -0.63 -4.98 105.19 111.26 3gab n GLY 516 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3gab n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gab s VAL 517 N -2.00 5.04 -0.75 1.61 1.01 0.07 -4.35 120.40 121.04 3gab s VAL 517 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 3gab s VAL 517 Cb 0.00 -3.97 0.19 0.00 0.00 0.00 0.00 36.38 32.59 3gab s VAL 517 CO 0.00 -0.27 0.59 -0.36 0.00 0.00 0.00 175.10 175.06 3gab s PHE 518 N 2.30 3.62 0.31 5.22 0.08 -1.26 -2.84 117.98 125.42 3gab s PHE 518 Ca 0.16 -2.93 -0.21 0.00 0.12 0.00 0.00 56.93 54.08 3gab s PHE 518 Cb -0.16 -3.16 -0.09 0.00 -0.57 0.00 0.00 43.02 39.04 3gab s PHE 518 CO 0.14 -0.76 0.83 -0.51 -0.10 0.00 0.00 175.22 174.81 3gab s LEU 519 N -0.78 4.21 -0.03 -0.37 1.43 -1.26 -4.42 118.68 117.46 3gab s LEU 519 Ca 0.22 1.55 0.01 0.00 -1.03 0.00 0.00 54.13 54.88 3gab s LEU 519 Cb -0.13 -3.98 0.02 0.00 0.03 0.00 0.00 46.19 42.12 3gab s LEU 519 CO -0.09 -0.12 -0.05 -1.61 0.23 0.00 0.00 176.35 174.72 3gab s GLU 520 N -2.44 0.68 0.31 1.70 2.02 -0.43 -4.96 118.70 115.57 3gab s GLU 520 Ca 0.51 -0.12 -0.29 0.00 0.02 0.00 0.00 54.97 55.09 3gab s GLU 520 Cb -0.14 -0.70 -0.12 0.00 0.10 0.00 0.00 34.13 33.27 3gab s GLU 520 CO 0.19 -0.02 1.37 -1.13 0.02 0.00 0.00 175.26 175.70 3gab n SER 521 N 3.72 2.95 -3.18 -0.19 3.41 -1.26 -0.71 113.62 118.35 3gab n SER 521 Ca -0.22 1.18 -0.21 0.00 -0.26 0.00 0.00 58.87 59.36 3gab n SER 521 Cb 0.53 -1.49 -0.05 0.00 -0.26 0.00 0.00 64.21 62.94 3gab n SER 521 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3gab n PHE 522 N 1.04 -0.20 -0.30 7.33 7.35 0.41 -4.75 117.46 128.34 3gab n PHE 522 Ca 0.07 -3.63 0.00 0.00 -0.76 0.00 0.00 57.45 53.13 3gab n PHE 522 Cb 0.35 -0.33 0.00 0.00 0.35 0.00 0.00 39.48 39.84 3gab n PHE 522 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gab n GLY 523 N 0.92 -3.26 3.72 7.13 0.00 -1.26 -4.48 105.19 107.96 3gab n GLY 523 Ca 0.22 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3gab n GLY 523 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gab s SER 524 N -1.40 7.22 -0.84 1.61 1.04 -1.26 -3.56 113.70 116.51 3gab s SER 524 Ca 0.00 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.35 3gab s SER 524 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3gab s SER 524 CO 0.00 -0.34 0.00 0.59 0.98 0.00 0.00 173.24 174.47 3gab n ASN 525 N 3.56 -5.05 -4.11 7.02 3.02 -1.26 -4.95 115.26 113.49 3gab n ASN 525 Ca 0.07 0.20 -0.20 0.00 -0.03 0.00 0.00 54.58 54.61 3gab n ASN 525 Cb 0.48 -3.24 -0.14 0.00 -0.61 0.00 0.00 39.78 36.27 3gab n ASN 525 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3gab s SER 526 N -2.42 1.52 0.13 6.41 0.01 -1.23 -0.13 113.70 117.99 3gab s SER 526 Ca 0.00 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 56.92 3gab s SER 526 Cb 0.00 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 3gab s SER 526 CO 0.00 0.06 -0.09 -0.31 0.41 0.00 0.00 173.24 173.31 3gab s TYR 527 N -0.67 1.16 0.14 2.43 1.51 0.50 -0.44 117.35 121.98 3gab s TYR 527 Ca 0.02 -0.81 0.08 0.00 -1.01 0.00 0.00 57.07 55.35 3gab s TYR 527 Cb -0.07 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 3gab s TYR 527 CO 0.01 0.01 -0.18 0.96 -1.11 0.00 0.00 175.55 175.23 3gab s ILE 528 N -3.42 1.71 -0.13 2.71 -4.36 0.11 -0.34 121.20 117.48 3gab s ILE 528 Ca 0.15 -1.80 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 3gab s ILE 528 Cb 0.03 -1.73 0.01 0.00 1.25 0.00 0.00 42.46 42.03 3gab s ILE 528 CO -0.01 -0.28 -0.19 -0.69 0.24 0.00 0.00 174.94 174.01 3gab s VAL 529 N -1.87 1.87 -0.29 8.37 1.01 -0.29 -1.32 120.40 127.88 3gab s VAL 529 Ca 0.12 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.32 3gab s VAL 529 Cb -0.07 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 3gab s VAL 529 CO 0.05 0.51 0.29 0.54 0.00 0.00 0.00 175.10 176.50 3gab n ARG 530 N 4.18 3.87 -3.71 2.72 1.74 -1.26 -0.79 116.66 123.41 3gab n ARG 530 Ca -0.20 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.78 3gab n ARG 530 Cb 0.51 -0.90 -0.03 0.00 -1.02 0.00 0.00 32.46 31.02 3gab n ARG 530 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gab s HIS 532 N -3.87 -0.32 0.22 0.00 -3.43 -0.69 -4.52 115.29 102.69 3gab s HIS 532 Ca 0.08 0.08 -0.32 0.00 -0.80 0.00 0.00 55.06 54.11 3gab s HIS 532 Cb -0.02 0.34 -0.13 0.00 -1.43 0.00 0.00 32.58 31.34 3gab s HIS 532 CO -0.02 -0.72 1.57 -2.30 -2.00 0.00 0.00 174.74 171.27 3gab n PRO 533 N -0.15 2.39 0.31 -0.38 -0.02 -1.26 0.06 135.00 135.95 3gab n PRO 533 Ca -0.17 0.86 0.20 0.00 -2.02 0.00 0.00 63.50 62.37 3gab n PRO 533 Cb 0.63 -2.62 1.05 0.00 -0.02 0.00 0.00 33.50 32.54 3gab n PRO 533 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gab h ALA 534 N 5.45 1.05 -0.01 3.55 0.00 -1.64 -0.89 119.26 126.77 3gab h ALA 534 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gab h ALA 534 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3gab h ALA 534 CO 0.85 -0.05 -0.12 -2.67 0.00 0.00 0.00 179.25 177.26 3gab n TRP 535 N -2.90 0.00 -1.64 0.00 4.27 -1.26 -4.88 117.44 111.02 3gab n TRP 535 Ca -0.03 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.18 3gab n TRP 535 Cb 0.12 -0.10 0.02 0.00 -1.36 0.00 0.00 31.31 29.98 3gab n TRP 535 CO 0.00 0.00 0.00 1.19 -2.29 0.00 0.00 177.69 176.59 3gab n PHE 536 N -0.56 1.47 -1.51 -2.67 3.01 -0.34 -4.81 117.46 112.06 3gab n PHE 536 Ca 0.16 0.52 -0.50 0.00 1.01 0.00 0.00 57.45 58.64 3gab n PHE 536 Cb 0.31 -2.27 -0.06 0.00 -0.01 0.00 0.00 39.48 37.44 3gab n PHE 536 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3gab n PRO 537 N -0.04 1.33 -1.73 -1.08 -0.02 -1.26 -4.85 135.00 127.36 3gab n PRO 537 Ca 0.09 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3gab n PRO 537 Cb 0.40 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.29 3gab n PRO 537 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3gab n LYS 538 N 7.92 2.55 -0.18 -0.52 4.81 -1.26 -2.22 118.16 129.26 3gab n LYS 538 Ca 0.37 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.71 3gab n LYS 538 Cb 0.26 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.65 3gab n LYS 538 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gab n GLY 539 N 2.22 1.77 1.00 3.14 0.00 -1.26 -4.84 105.19 107.22 3gab n GLY 539 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.17 3gab n GLY 539 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gab n GLU 540 N -2.00 0.83 -0.02 1.61 1.02 -0.94 -4.87 120.64 116.27 3gab n GLU 540 Ca 0.00 -2.66 -0.13 0.00 -0.02 0.00 0.00 57.16 54.35 3gab n GLU 540 Cb 0.00 -0.86 -0.10 0.00 -0.02 0.00 0.00 31.44 30.46 3gab n GLU 540 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3gab h GLU 541 N 0.97 -0.01 -0.14 3.49 3.07 -1.89 -2.64 114.58 117.43 3gab h GLU 541 Ca -0.11 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.79 3gab h GLU 541 Cb 1.42 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.30 3gab h GLU 541 CO 0.05 0.55 -0.06 0.00 -1.40 0.00 0.00 179.01 178.14 3gab h ALA 542 N 0.39 0.06 -0.29 3.43 0.00 -1.94 0.80 119.26 121.70 3gab h ALA 542 Ca -0.00 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3gab h ALA 542 Cb 0.57 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3gab h ALA 542 CO 0.00 -0.51 0.06 0.93 0.00 0.00 0.00 179.25 179.73 3gab h GLU 543 N -0.04 0.16 -0.42 0.00 3.07 -1.94 -1.44 114.58 113.96 3gab h GLU 543 Ca 0.07 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 3gab h GLU 543 Cb 0.15 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3gab h GLU 543 CO -0.17 0.10 0.21 1.25 -1.40 0.00 0.00 179.01 179.01 3gab h LEU 544 N 0.16 0.54 0.37 1.33 5.85 -1.08 0.16 115.31 122.64 3gab h LEU 544 Ca 0.14 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3gab h LEU 544 Cb 0.14 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3gab h LEU 544 CO -0.18 0.50 -0.26 0.40 -0.34 0.00 0.00 178.44 178.56 3gab h ILE 545 N 0.54 0.45 -0.81 4.05 2.04 -0.64 0.31 117.51 123.44 3gab h ILE 545 Ca 0.15 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.08 3gab h ILE 545 Cb 0.09 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 3gab h ILE 545 CO -0.02 0.00 0.53 -0.08 0.00 0.00 0.00 178.15 178.58 3gab h GLU 546 N -0.62 0.84 -0.57 2.37 4.81 -1.18 -2.00 114.58 118.23 3gab h GLU 546 Ca -0.03 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 3gab h GLU 546 Cb 0.53 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3gab h GLU 546 CO 0.01 0.56 -0.06 1.49 -0.73 0.00 0.00 179.01 180.28 3gab h GLU 547 N 0.87 1.05 -0.45 1.92 4.81 -0.41 -1.39 114.58 120.98 3gab h GLU 547 Ca 0.35 -0.36 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3gab h GLU 547 Cb 0.26 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3gab h GLU 547 CO -0.13 1.06 -0.18 0.82 -0.73 0.00 0.00 179.01 179.85 3gab h ILE 548 N 0.93 1.27 -0.52 2.32 2.04 -0.51 -2.20 117.51 120.84 3gab h ILE 548 Ca 0.15 -1.31 -0.08 0.00 1.00 0.00 0.00 64.86 64.62 3gab h ILE 548 Cb 0.62 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3gab h ILE 548 CO 0.04 0.45 0.01 0.40 0.00 0.00 0.00 178.15 179.05 3gab h ILE 549 N 0.77 1.26 -0.32 -0.67 2.04 -1.21 -2.48 117.51 116.90 3gab h ILE 549 Ca 0.11 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3gab h ILE 549 Cb 0.72 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3gab h ILE 549 CO 0.06 0.38 0.10 -0.61 0.00 0.00 0.00 178.15 178.08 3gab h GLN 550 N 0.79 0.46 -0.63 2.37 5.75 -1.11 -1.19 115.11 121.55 3gab h GLN 550 Ca 0.15 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.50 3gab h GLN 550 Cb 0.52 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 3gab h GLN 550 CO 0.03 0.41 0.04 0.37 -2.65 0.00 0.00 178.83 177.02 3gab h GLN 551 N 0.45 1.09 -0.26 1.69 5.75 -1.02 -0.16 115.11 122.65 3gab h GLN 551 Ca 0.11 -0.33 -0.03 0.00 -0.15 0.00 0.00 58.65 58.26 3gab h GLN 551 Cb 0.14 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 3gab h GLN 551 CO -0.01 1.04 0.06 0.28 -2.65 0.00 0.00 178.83 177.55 3gab h VAL 552 N 0.99 1.22 0.06 2.39 2.07 -0.96 -2.03 116.25 119.99 3gab h VAL 552 Ca 0.18 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3gab h VAL 552 Cb 0.52 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3gab h VAL 552 CO 0.03 0.23 -0.18 -0.07 0.02 0.00 0.00 177.57 177.59 3gab h LEU 553 N 0.25 -0.51 -1.71 2.57 3.38 -1.09 -0.17 115.31 118.02 3gab h LEU 553 Ca 0.08 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.20 3gab h LEU 553 Cb 0.29 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3gab h LEU 553 CO 0.00 -0.25 0.34 0.44 0.09 0.00 0.00 178.44 179.06 3gab h ASP 554 N -0.32 0.30 0.88 -0.43 3.32 -0.96 -1.77 116.42 117.44 3gab h ASP 554 Ca 0.04 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.86 3gab h ASP 554 Cb 0.37 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3gab h ASP 554 CO -0.13 0.19 -1.14 0.28 -1.72 0.00 0.00 179.24 176.71 3gab h SER 555 N 0.34 0.04 0.00 6.45 0.02 -0.90 -3.47 113.55 116.03 3gab h SER 555 Ca 0.23 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3gab h SER 555 Cb 0.46 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3gab h SER 555 CO -0.05 1.04 0.00 0.29 -1.14 0.00 0.00 176.83 176.96 3gab n LYS 556 N -3.32 0.00 -4.08 3.45 5.02 -0.12 -4.71 118.16 114.41 3gab n LYS 556 Ca -0.04 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.03 3gab n LYS 556 Cb 0.97 -0.15 -0.17 0.00 -0.02 0.00 0.00 35.03 35.65 3gab n LYS 556 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3gab s ASN 557 N 0.00 1.40 -0.13 4.39 0.01 -1.26 -4.95 114.94 114.40 3gab s ASN 557 Ca 0.00 -0.17 -0.15 0.00 -0.71 0.00 0.00 52.86 51.83 3gab s ASN 557 Cb 0.00 -0.56 0.04 0.00 0.41 0.00 0.00 41.25 41.14 3gab s ASN 557 CO 0.00 -0.09 0.42 -0.51 -1.51 0.00 0.00 177.10 175.41 3gab s ILE 558 N 1.27 0.01 0.34 0.60 2.07 -1.26 -5.13 121.20 119.09 3gab s ILE 558 Ca -0.05 -0.08 0.07 0.00 -1.41 0.00 0.00 60.65 59.18 3gab s ILE 558 Cb -0.14 -0.61 -0.01 0.00 0.13 0.00 0.00 42.46 41.83 3gab s ILE 558 CO -0.02 -0.04 0.47 1.51 -1.91 0.00 0.00 174.94 174.95 3gab s ASP 559 N -0.09 5.95 0.55 4.50 1.47 -1.26 -4.96 116.67 122.83 3gab s ASP 559 Ca -0.03 -0.20 0.27 0.00 1.18 0.00 0.00 52.55 53.77 3gab s ASP 559 Cb -0.03 -1.21 1.47 0.00 -0.34 0.00 0.00 42.92 42.81 3gab s ASP 559 CO 0.02 -0.44 1.98 0.40 0.68 0.00 0.00 175.17 177.81 3gab h ILE 560 N 0.89 0.59 0.09 2.11 2.04 -1.98 -2.21 117.51 119.05 3gab h ILE 560 Ca -0.46 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3gab h ILE 560 Cb 1.26 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3gab h ILE 560 CO 0.52 0.00 -0.04 0.50 0.00 0.00 0.00 178.15 179.13 3gab h LYS 561 N 0.00 -0.12 -0.83 2.37 3.64 -1.99 -1.64 116.57 118.00 3gab h LYS 561 Ca 0.23 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3gab h LYS 561 Cb 1.00 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 3gab h LYS 561 CO -0.00 0.40 0.50 0.87 -2.27 0.00 0.00 179.45 178.95 3gab h LYS 562 N -0.78 1.13 -0.58 1.90 1.57 -1.90 -2.73 116.57 115.19 3gab h LYS 562 Ca -0.01 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 3gab h LYS 562 Cb 0.58 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3gab h LYS 562 CO 0.02 0.80 -0.02 1.25 -0.57 0.00 0.00 179.45 180.93 3gab h LEU 563 N 1.14 1.02 -0.76 2.94 5.85 -1.43 -0.02 115.31 124.06 3gab h LEU 563 Ca 0.30 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3gab h LEU 563 Cb -0.04 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 3gab h LEU 563 CO -0.06 1.09 0.49 0.03 -0.34 0.00 0.00 178.44 179.65 3gab h ARG 564 N 0.92 0.96 0.58 1.25 3.08 -1.18 0.17 114.38 120.16 3gab h ARG 564 Ca 0.16 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3gab h ARG 564 Cb 0.58 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.42 3gab h ARG 564 CO 0.03 0.63 -0.28 0.93 -1.07 0.00 0.00 179.97 180.22 3gab h GLU 565 N 0.98 -0.75 -0.48 0.04 4.39 -1.14 -0.79 114.58 116.83 3gab h GLU 565 Ca 0.29 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.14 3gab h GLU 565 Cb -0.05 0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 28.67 3gab h GLU 565 CO -0.08 -0.45 -0.14 0.93 -1.16 0.00 0.00 179.01 178.10 3gab h GLU 566 N -0.94 -0.02 -0.61 2.33 4.39 -0.87 -0.62 114.58 118.24 3gab h GLU 566 Ca -0.08 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 3gab h GLU 566 Cb 0.65 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 3gab h GLU 566 CO 0.13 -0.02 0.20 0.00 -1.16 0.00 0.00 179.01 178.17 3gab h ALA 567 N 1.43 0.80 -0.71 3.43 0.00 -0.64 -1.13 119.26 122.43 3gab h ALA 567 Ca 0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3gab h ALA 567 Cb 0.38 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3gab h ALA 567 CO -0.51 0.45 0.25 0.00 0.00 0.00 0.00 179.25 179.44 3gab h ALA 568 N 1.07 0.93 0.10 0.00 0.00 -0.45 -1.41 119.26 119.50 3gab h ALA 568 Ca 0.20 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3gab h ALA 568 Cb 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3gab h ALA 568 CO -0.01 0.59 -0.17 0.82 0.00 0.00 0.00 179.25 180.48 3gab h ILE 569 N 1.04 0.62 -0.99 0.00 2.04 -0.88 -1.76 117.51 117.57 3gab h ILE 569 Ca 0.23 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.29 3gab h ILE 569 Cb 0.27 0.62 -0.11 0.00 -0.74 0.00 0.00 36.82 36.86 3gab h ILE 569 CO -0.01 0.00 0.59 0.24 0.00 0.00 0.00 178.15 178.97 3gab h MET 570 N -0.33 0.70 -0.20 2.37 2.86 -0.73 -1.48 114.93 118.12 3gab h MET 570 Ca 0.02 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.44 3gab h MET 570 Cb 0.34 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3gab h MET 570 CO -0.09 0.46 -0.60 0.52 1.06 0.00 0.00 176.91 178.26 3gab h MET 571 N 0.72 0.68 0.00 1.72 2.86 -1.01 -3.17 114.93 116.73 3gab h MET 571 Ca 0.58 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3gab h MET 571 Cb 0.93 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.66 3gab h MET 571 CO -0.40 1.08 0.00 -1.13 1.06 0.00 0.00 176.91 177.52 3gab n SER 572 N -3.96 0.55 -0.26 1.22 3.41 -0.62 -2.82 113.62 111.14 3gab n SER 572 Ca -0.04 0.58 0.14 0.00 -0.26 0.00 0.00 58.87 59.29 3gab n SER 572 Cb 0.64 -0.72 0.51 0.00 -0.26 0.00 0.00 64.21 64.38 3gab n SER 572 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gab n LYS 574 N -0.52 1.21 -0.89 0.00 2.85 -1.13 -4.72 118.16 114.97 3gab n LYS 574 Ca 0.15 -2.21 0.00 0.00 -1.05 0.00 0.00 58.31 55.20 3gab n LYS 574 Cb 0.32 0.64 0.00 0.00 -0.65 0.00 0.00 35.03 35.34 3gab n LYS 574 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gab n GLY 575 N 1.28 0.47 3.56 2.58 0.00 -1.26 -4.99 105.19 106.83 3gab n GLY 575 Ca -0.12 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 3gab n GLY 575 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gab s SER 576 N -2.70 6.05 -0.36 1.61 1.04 -1.26 -5.21 113.70 112.88 3gab s SER 576 Ca 0.00 -0.99 0.13 0.00 0.48 0.00 0.00 55.95 55.57 3gab s SER 576 Cb 0.00 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.93 3gab s SER 576 CO 0.00 -1.90 0.82 2.30 0.98 0.00 0.00 173.24 175.44 3gab n ILE 577 N 7.06 0.11 0.00 -1.02 -5.35 -1.26 -5.27 119.36 113.63 3gab n ILE 577 Ca 0.29 -3.97 0.00 0.00 -0.27 0.00 0.00 62.75 58.80 3gab n ILE 577 Cb 0.50 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 3gab n ILE 577 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3gab n ARG 581 N 0.19 0.00 -3.17 6.28 0.63 -1.25 -5.29 116.66 114.04 3gab n ARG 581 Ca 0.19 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.75 3gab n ARG 581 Cb 0.70 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.55 3gab n ARG 581 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3gab s HIS 582 N -1.26 3.72 0.02 -0.14 3.76 -1.26 -4.84 115.29 115.29 3gab s HIS 582 Ca 0.00 1.34 0.04 0.00 -0.15 0.00 0.00 55.06 56.29 3gab s HIS 582 Cb 0.00 -2.57 -0.02 0.00 1.11 0.00 0.00 32.58 31.10 3gab s HIS 582 CO 0.00 0.44 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.69 3gab s LEU 583 N -1.66 2.11 0.82 0.89 1.43 -1.26 -5.14 118.68 115.87 3gab s LEU 583 Ca 0.38 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 3gab s LEU 583 Cb -0.18 -0.58 0.08 0.00 0.03 0.00 0.00 46.19 45.54 3gab s LEU 583 CO 0.21 0.07 1.11 -0.13 0.23 0.00 0.00 176.35 177.84 3gab s ARG 584 N -0.79 1.91 0.14 1.70 0.52 -1.26 -4.82 118.95 116.36 3gab s ARG 584 Ca 0.02 0.51 0.17 0.00 -0.52 0.00 0.00 55.73 55.92 3gab s ARG 584 Cb -0.06 -1.91 0.76 0.00 0.52 0.00 0.00 34.95 34.26 3gab s ARG 584 CO 0.00 -1.71 1.53 0.09 0.02 0.00 0.00 175.30 175.24 3gab n ASN 585 N -3.47 0.34 -0.04 0.23 4.13 -1.26 -1.32 115.26 113.86 3gab n ASN 585 Ca 0.07 0.60 -0.15 0.00 1.68 0.00 0.00 54.58 56.78 3gab n ASN 585 Cb 0.57 -0.66 -0.13 0.00 -1.54 0.00 0.00 39.78 38.02 3gab n ASN 585 CO 0.00 0.00 0.00 -2.24 0.28 0.00 0.00 177.26 175.30 3gab h ASP 586 N 0.00 0.10 -0.96 6.41 2.03 -1.98 -1.49 116.42 120.53 3gab h ASP 586 Ca 0.00 -0.96 0.14 0.00 -0.73 0.00 0.00 57.03 55.47 3gab h ASP 586 Cb 0.24 -0.03 -0.08 0.00 -0.83 0.00 0.00 39.33 38.63 3gab h ASP 586 CO 0.00 1.06 0.61 -0.33 -1.03 0.00 0.00 179.24 179.54 3gab h GLU 587 N -0.84 0.82 -0.24 4.15 5.08 -1.74 0.56 114.58 122.36 3gab h GLU 587 Ca -0.03 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3gab h GLU 587 Cb 1.11 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3gab h GLU 587 CO 0.03 0.54 -0.05 0.82 -1.00 0.00 0.00 179.01 179.35 3gab h ILE 588 N 0.84 1.28 0.04 3.13 2.04 -1.25 -1.80 117.51 121.78 3gab h ILE 588 Ca 0.48 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 65.31 3gab h ILE 588 Cb 0.63 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3gab h ILE 588 CO -0.25 0.33 -0.14 0.50 0.00 0.00 0.00 178.15 178.58 3gab h LYS 589 N 0.21 -0.25 -0.62 2.37 1.63 -0.31 0.76 116.57 120.36 3gab h LYS 589 Ca 0.06 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.00 3gab h LYS 589 Cb 0.51 0.06 -0.10 0.00 -0.60 0.00 0.00 32.23 32.10 3gab h LYS 589 CO 0.02 -0.17 0.07 0.00 -3.45 0.00 0.00 179.45 175.92 3gab h ALA 590 N 0.66 0.67 -0.69 5.00 0.00 -0.93 -0.61 119.26 123.35 3gab h ALA 590 Ca 0.04 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3gab h ALA 590 Cb 0.30 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3gab h ALA 590 CO -0.11 -0.36 0.27 1.25 0.00 0.00 0.00 179.25 180.30 3gab h LEU 591 N 0.18 0.97 -0.79 0.00 6.46 -0.73 -0.93 115.31 120.47 3gab h LEU 591 Ca 0.33 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3gab h LEU 591 Cb 0.52 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 3gab h LEU 591 CO -0.48 0.88 0.45 -0.07 -0.62 0.00 0.00 178.44 178.60 3gab h LEU 592 N 0.99 0.98 -0.05 2.25 3.38 0.17 -0.66 115.31 122.37 3gab h LEU 592 Ca 0.23 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 3gab h LEU 592 Cb 0.23 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.74 3gab h LEU 592 CO -0.02 0.78 -0.56 0.44 0.09 0.00 0.00 178.44 179.17 3gab h ASP 593 N 1.09 0.59 -0.91 -0.43 3.32 -0.95 -2.53 116.42 116.60 3gab h ASP 593 Ca 0.28 -0.69 0.14 0.00 0.02 0.00 0.00 57.03 56.78 3gab h ASP 593 Cb 0.01 -0.18 -0.09 0.00 0.22 0.00 0.00 39.33 39.29 3gab h ASP 593 CO -0.05 1.20 0.52 0.44 -1.72 0.00 0.00 179.24 179.62 3gab h ASP 594 N 0.03 0.68 -0.04 6.45 3.32 -1.09 -1.92 116.42 123.84 3gab h ASP 594 Ca -0.05 0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3gab h ASP 594 Cb 1.23 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3gab h ASP 594 CO 0.11 0.31 -0.24 0.25 -1.72 0.00 0.00 179.24 177.95 3gab h LEU 595 N 0.75 0.45 -0.92 1.55 5.85 -1.01 -2.79 115.31 119.19 3gab h LEU 595 Ca 0.49 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 3gab h LEU 595 Cb 0.63 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3gab h LEU 595 CO -0.33 0.69 -0.48 0.03 -0.34 0.00 0.00 178.44 178.01 3gab h ARG 596 N 0.40 0.00 0.00 1.25 3.08 -0.92 -2.74 114.38 115.45 3gab h ARG 596 Ca 0.06 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3gab h ARG 596 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3gab h ARG 596 CO 0.05 0.48 -0.27 0.77 -1.07 0.00 0.00 179.97 179.93 3gab h SER 597 N 0.00 0.00 -4.05 7.04 0.02 -1.17 -3.46 113.55 111.94 3gab h SER 597 Ca -0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.40 3gab h SER 597 Cb 0.95 0.00 0.18 0.00 0.14 0.00 0.00 62.40 63.67 3gab h SER 597 CO 0.06 0.27 0.23 0.41 -1.14 0.00 0.00 176.83 176.66 3gab n THR 598 N -3.62 2.09 -0.03 -2.27 -1.04 -1.04 -4.96 114.28 103.42 3gab n THR 598 Ca -0.01 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.05 61.61 3gab n THR 598 Cb 0.40 -1.14 -0.04 0.00 -1.82 0.00 0.00 70.33 67.73 3gab n THR 598 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3gab h SER 599 N -0.80 0.88 -2.86 8.00 4.64 -1.88 -3.38 113.55 118.16 3gab h SER 599 Ca -0.46 -0.53 -0.61 0.00 -0.47 0.00 0.00 61.79 59.71 3gab h SER 599 Cb 1.31 -0.26 -0.41 0.00 -0.31 0.00 0.00 62.40 62.73 3gab h SER 599 CO 0.45 1.32 -0.66 -0.67 -0.87 0.00 0.00 176.83 176.40 3gab n ASP 600 N -3.95 2.34 0.22 4.97 2.03 -1.26 -4.96 116.55 115.94 3gab n ASP 600 Ca -0.06 -3.06 0.08 0.00 0.52 0.00 0.00 54.79 52.28 3gab n ASP 600 Cb 0.69 -0.71 0.46 0.00 -0.72 0.00 0.00 41.12 40.85 3gab n ASP 600 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gab h PRO 601 N 5.31 0.00 0.00 -0.67 0.11 -1.78 -3.23 132.00 131.75 3gab h PRO 601 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3gab h PRO 601 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3gab h PRO 601 CO 0.65 0.27 -1.08 1.19 -0.21 0.00 0.00 178.00 178.82 3gab n PHE 602 N -3.54 0.49 -5.00 0.65 3.01 -1.26 -4.70 117.46 107.10 3gab n PHE 602 Ca -0.01 0.14 -0.28 0.00 1.01 0.00 0.00 57.45 58.32 3gab n PHE 602 Cb 0.42 -0.64 -0.16 0.00 -0.01 0.00 0.00 39.48 39.09 3gab n PHE 602 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3gab s THR 603 N -3.28 1.65 0.67 4.37 2.01 -1.22 -0.50 115.64 119.33 3gab s THR 603 Ca 0.01 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 61.00 3gab s THR 603 Cb 0.13 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 71.25 3gab s THR 603 CO 0.80 0.47 1.15 0.00 -0.69 0.00 0.00 174.62 176.35 3gab n PRO 605 N -2.40 0.00 0.00 0.00 -0.02 -1.26 -0.55 135.00 130.77 3gab n PRO 605 Ca 0.12 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3gab n PRO 605 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 3gab n PRO 605 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3gab n HIS 606 N -0.96 0.00 0.00 6.00 8.25 -1.26 -5.01 115.22 122.24 3gab n HIS 606 Ca 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 3gab n HIS 606 Cb 0.00 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.07 3gab n HIS 606 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gab n GLY 607 N -0.44 3.31 3.77 -1.41 0.00 0.28 -5.06 105.19 105.64 3gab n GLY 607 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3gab n GLY 607 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gab s ARG 608 N -0.63 4.49 0.70 1.61 1.70 -1.26 -4.59 118.95 120.97 3gab s ARG 608 Ca 0.00 1.53 -0.16 0.00 -0.47 0.00 0.00 55.73 56.63 3gab s ARG 608 Cb 0.00 -2.87 -0.01 0.00 -0.57 0.00 0.00 34.95 31.50 3gab s ARG 608 CO 0.00 0.15 0.96 -2.30 -1.08 0.00 0.00 175.30 173.03 3gab n PRO 609 N 0.62 0.59 -0.03 3.89 -0.02 -1.26 -0.02 135.00 138.77 3gab n PRO 609 Ca 0.02 0.26 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 3gab n PRO 609 Cb 0.48 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.71 3gab n PRO 609 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3gab n ILE 610 N -2.34 0.40 -4.02 4.25 5.41 0.34 -4.61 119.36 118.78 3gab n ILE 610 Ca 0.13 -0.21 -0.30 0.00 1.00 0.00 0.00 62.75 63.37 3gab n ILE 610 Cb 0.49 -0.81 -0.16 0.00 -0.71 0.00 0.00 39.64 38.44 3gab n ILE 610 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3gab s ILE 611 N -2.14 1.61 -0.02 1.39 1.01 -1.24 -0.48 121.20 121.33 3gab s ILE 611 Ca -0.06 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3gab s ILE 611 Cb 0.02 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3gab s ILE 611 CO 0.21 0.45 0.19 -0.63 0.00 0.00 0.00 174.94 175.15 3gab s ILE 612 N 1.47 5.43 -0.07 2.92 -1.09 0.49 -4.95 121.20 125.40 3gab s ILE 612 Ca 0.05 -0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.41 3gab s ILE 612 Cb -0.13 -3.52 0.03 0.00 -1.58 0.00 0.00 42.46 37.25 3gab s ILE 612 CO -0.11 0.38 -0.01 -2.28 -1.23 0.00 0.00 174.94 171.68 3gab s HIS 613 N -1.28 0.75 -0.40 3.97 5.65 -1.26 -0.18 115.29 122.55 3gab s HIS 613 Ca 0.25 -0.23 -0.13 0.00 0.25 0.00 0.00 55.06 55.21 3gab s HIS 613 Cb -0.13 -0.81 0.03 0.00 -1.18 0.00 0.00 32.58 30.50 3gab s HIS 613 CO 0.16 -0.32 0.26 -1.01 -0.65 0.00 0.00 174.74 173.18 3gab s HIS 614 N 1.73 3.25 0.73 3.88 3.76 -0.60 -4.99 115.29 123.05 3gab s HIS 614 Ca 0.02 -0.86 -0.14 0.00 -0.15 0.00 0.00 55.06 53.93 3gab s HIS 614 Cb -0.13 -2.58 0.04 0.00 1.11 0.00 0.00 32.58 31.02 3gab s HIS 614 CO -0.04 -0.65 1.15 -1.54 -0.85 0.00 0.00 174.74 172.81 3gab s SER 615 N 1.71 4.43 0.26 1.40 1.04 -1.26 -0.65 113.70 120.63 3gab s SER 615 Ca 0.03 2.14 -0.02 0.00 0.48 0.00 0.00 55.95 58.59 3gab s SER 615 Cb -0.20 -2.56 0.54 0.00 0.10 0.00 0.00 66.02 63.90 3gab s SER 615 CO 0.08 -2.09 1.73 0.71 0.98 0.00 0.00 173.24 174.64 3gab h THR 616 N -0.44 0.62 0.18 2.02 1.35 -1.54 -1.32 112.91 113.79 3gab h THR 616 Ca -0.46 -0.16 0.01 0.00 -0.55 0.00 0.00 66.41 65.25 3gab h THR 616 Cb 1.27 0.11 -0.03 0.00 -1.73 0.00 0.00 68.15 67.77 3gab h THR 616 CO 0.51 0.09 -0.33 0.22 -0.25 0.00 0.00 175.52 175.76 3gab h TYR 617 N 0.47 -0.89 -0.42 4.73 3.20 -1.91 0.15 116.97 122.30 3gab h TYR 617 Ca 0.46 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.47 3gab h TYR 617 Cb 0.74 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 3gab h TYR 617 CO -0.15 -0.44 0.35 0.93 -1.64 0.00 0.00 178.16 177.21 3gab h GLU 618 N -0.59 0.00 0.17 1.82 5.08 -1.62 0.47 114.58 119.91 3gab h GLU 618 Ca 0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.14 3gab h GLU 618 Cb 0.59 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.87 3gab h GLU 618 CO -0.15 0.00 -1.05 0.52 -1.00 0.00 0.00 179.01 177.33 3gab h MET 619 N 0.00 0.36 -0.74 2.33 2.86 -0.56 -2.50 114.93 116.68 3gab h MET 619 Ca 0.20 -0.62 0.08 0.00 -2.06 0.00 0.00 59.70 57.30 3gab h MET 619 Cb 0.90 0.23 -0.06 0.00 0.06 0.00 0.00 31.60 32.73 3gab h MET 619 CO -0.00 1.30 0.41 0.93 1.06 0.00 0.00 176.91 180.60 3gab h GLU 620 N -0.22 0.69 -0.60 1.72 3.07 0.16 -2.24 114.58 117.16 3gab h GLU 620 Ca -0.19 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.60 3gab h GLU 620 Cb 1.80 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 29.52 3gab h GLU 620 CO 0.18 0.46 0.24 -0.22 -1.40 0.00 0.00 179.01 178.27 3gab h LYS 621 N 0.71 0.88 0.00 2.33 3.64 -0.99 -1.90 116.57 121.24 3gab h LYS 621 Ca 0.35 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3gab h LYS 621 Cb 0.28 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3gab h LYS 621 CO -0.22 0.72 -0.12 0.00 -2.27 0.00 0.00 179.45 177.56 3gab n MET 622 N -4.32 0.10 -0.08 1.90 0.00 -0.88 -3.89 117.12 109.94 3gab n MET 622 Ca 0.05 0.07 -0.09 0.00 0.00 0.00 0.00 57.70 57.73 3gab n MET 622 Cb 0.16 -1.60 -0.11 0.00 0.00 0.00 0.00 33.22 31.68 3gab n MET 622 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3gab n PHE 623 N -1.76 0.00 0.77 3.17 3.72 -0.95 -5.09 117.46 117.32 3gab n PHE 623 Ca 0.06 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.55 3gab n PHE 623 Cb 0.37 -0.74 0.08 0.00 -0.94 0.00 0.00 39.48 38.25 3gab n PHE 623 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34