#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gab s PRO 437 N 0.00 3.95 0.18 1.45 0.02 -1.26 -4.96 135.00 134.39 3gab s PRO 437 Ca 0.00 2.07 -0.31 0.00 0.02 0.00 0.00 61.00 62.78 3gab s PRO 437 Cb 0.00 -2.71 -0.10 0.00 0.02 0.00 0.00 34.50 31.71 3gab s PRO 437 CO 0.00 -0.48 1.53 0.42 -0.33 0.00 0.00 177.00 178.14 3gab s ILE 438 N -1.30 2.66 -0.10 2.83 1.01 -1.26 -5.00 121.20 120.04 3gab s ILE 438 Ca 0.58 0.49 -0.00 0.00 0.00 0.00 0.00 60.65 61.71 3gab s ILE 438 Cb -0.36 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 3gab s ILE 438 CO 0.46 0.05 -0.07 -0.04 0.00 0.00 0.00 174.94 175.33 3gab s MET 439 N 0.75 3.03 -0.13 2.79 -1.94 -1.26 -4.70 119.30 117.83 3gab s MET 439 Ca 0.67 -0.57 -0.05 0.00 -1.71 0.00 0.00 55.69 54.03 3gab s MET 439 Cb -0.43 -2.66 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 3gab s MET 439 CO 0.34 0.51 0.05 0.71 -0.01 0.00 0.00 175.02 176.62 3gab s TYR 440 N -0.38 3.28 0.29 -0.03 2.02 -0.60 -4.89 117.35 117.04 3gab s TYR 440 Ca 0.05 0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.65 3gab s TYR 440 Cb -0.12 -1.94 -0.10 0.00 -0.40 0.00 0.00 41.96 39.39 3gab s TYR 440 CO 0.02 0.38 1.44 -2.14 -1.57 0.00 0.00 175.55 173.68 3gab s PRO 441 N -0.36 4.24 -0.19 -1.71 0.02 -1.26 -1.07 135.00 134.67 3gab s PRO 441 Ca 0.09 2.36 0.09 0.00 0.02 0.00 0.00 61.00 63.56 3gab s PRO 441 Cb -0.12 -3.07 -0.18 0.00 0.02 0.00 0.00 34.50 31.15 3gab s PRO 441 CO 0.02 -0.41 -0.06 -0.89 -0.33 0.00 0.00 177.00 175.33 3gab n ILE 442 N 1.68 1.23 -2.38 2.83 5.41 0.14 -4.88 119.36 123.38 3gab n ILE 442 Ca 0.04 -0.62 0.00 0.00 1.00 0.00 0.00 62.75 63.17 3gab n ILE 442 Cb 0.40 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.46 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 2.16 -0.33 3.28 7.39 0.00 -1.07 -5.01 105.19 111.61 3gab n GLY 443 Ca -0.33 -1.49 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.00 1.39 -0.11 1.61 1.03 -1.26 -0.41 119.66 119.91 3gab s GLN 444 Ca 0.00 -1.76 -0.05 0.00 0.04 0.00 0.00 55.36 53.59 3gab s GLN 444 Cb 0.00 -0.04 0.05 0.00 0.03 0.00 0.00 33.01 33.05 3gab s GLN 444 CO 0.00 -0.37 0.25 0.00 -2.54 0.00 0.00 175.29 172.63 3gab s MET 445 N -4.01 0.21 -0.79 9.60 0.23 0.01 -4.90 119.30 119.64 3gab s MET 445 Ca 0.38 0.54 0.00 0.00 -1.03 0.00 0.00 55.69 55.58 3gab s MET 445 Cb 0.07 -0.12 0.00 0.00 -1.53 0.00 0.00 34.83 33.25 3gab s MET 445 CO 0.14 -0.17 0.00 0.72 -2.03 0.00 0.00 175.02 173.69 3gab n HIS 446 N 4.26 0.00 -1.58 3.16 8.25 -1.26 -2.18 115.22 125.87 3gab n HIS 446 Ca -0.25 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.06 3gab n HIS 446 Cb 0.53 -2.01 -0.05 0.00 1.12 0.00 0.00 29.99 29.57 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 -0.68 1.10 0.00 -1.41 0.00 -1.26 -4.72 105.19 98.21 3gab n GLY 447 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.21 0.00 -5.27 2.61 -2.24 -0.95 -3.93 114.28 102.29 3gab n THR 448 Ca -0.15 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 3gab n THR 448 Cb 0.50 -0.84 -0.16 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.88 2.34 -0.08 4.78 2.02 -0.93 -0.93 117.35 122.67 3gab s TYR 449 Ca 0.00 -0.55 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 3gab s TYR 449 Cb 0.00 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.01 3gab s TYR 449 CO 0.00 -0.11 -0.10 0.42 -1.57 0.00 0.00 175.55 174.19 3gab s ILE 450 N -0.41 3.44 -0.18 2.71 1.01 0.16 -0.81 121.20 127.12 3gab s ILE 450 Ca 0.04 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 3gab s ILE 450 Cb -0.11 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3gab s ILE 450 CO 0.01 0.57 -0.04 -0.76 0.00 0.00 0.00 174.94 174.72 3gab s LEU 451 N -0.45 3.10 0.17 2.97 1.43 0.45 -0.85 118.68 125.50 3gab s LEU 451 Ca 0.06 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3gab s LEU 451 Cb -0.12 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3gab s LEU 451 CO 0.02 0.09 0.10 0.00 0.23 0.00 0.00 176.35 176.79 3gab s ALA 452 N 0.84 1.05 0.12 4.21 0.00 -0.36 0.26 121.76 127.88 3gab s ALA 452 Ca -0.01 -1.60 -0.19 0.00 0.00 0.00 0.00 51.96 50.16 3gab s ALA 452 Cb -0.15 1.15 0.05 0.00 0.00 0.00 0.00 23.12 24.17 3gab s ALA 452 CO 0.02 -0.54 0.47 1.14 0.00 0.00 0.00 175.76 176.85 3gab s GLN 453 N -4.11 1.12 0.03 0.00 1.03 -0.23 0.17 119.66 117.67 3gab s GLN 453 Ca 0.32 -0.57 -0.01 0.00 0.04 0.00 0.00 55.36 55.15 3gab s GLN 453 Cb 0.07 0.50 0.00 0.00 0.03 0.00 0.00 33.01 33.62 3gab s GLN 453 CO 0.08 -0.45 0.05 0.27 -2.54 0.00 0.00 175.29 172.69 3gab n ASN 454 N -0.17 -0.13 -0.01 12.60 0.23 -0.77 -1.56 115.26 125.45 3gab n ASN 454 Ca -0.17 -1.12 0.23 0.00 -0.53 0.00 0.00 54.58 53.00 3gab n ASN 454 Cb 0.64 0.23 0.72 0.00 -2.08 0.00 0.00 39.78 39.28 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 0.00 0.00 -3.83 9.09 -2.02 0.27 114.58 118.09 3gab h GLU 455 Ca -0.02 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.31 3gab h GLU 455 Cb 0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 3gab h GLU 455 CO 0.03 0.00 -0.36 -0.91 0.05 0.00 0.00 179.01 177.82 3gab h ASN 456 N 0.00 0.00 0.00 3.06 2.35 -1.98 -3.44 115.58 115.58 3gab h ASN 456 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3gab h ASN 456 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 3gab h ASN 456 CO -0.00 0.36 0.00 0.61 -1.65 0.00 0.00 177.43 176.75 3gab n GLY 457 N 0.29 0.33 3.86 2.83 0.00 0.96 -0.91 105.19 112.55 3gab n GLY 457 Ca -0.00 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 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 4.38 -0.09 0.99 2.96 0.62 -1.85 118.68 125.69 3gab s LEU 458 Ca 0.00 0.87 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 3gab s LEU 458 Cb 0.00 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.79 3gab s LEU 458 CO 0.00 0.20 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.79 3gab s TYR 459 N -1.33 1.69 -0.25 5.38 2.02 0.13 -0.89 117.35 124.09 3gab s TYR 459 Ca 0.31 -0.74 -0.06 0.00 -0.37 0.00 0.00 57.07 56.22 3gab s TYR 459 Cb -0.15 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 3gab s TYR 459 CO 0.17 -0.40 0.03 0.42 -1.57 0.00 0.00 175.55 174.19 3gab s ILE 460 N 0.98 3.80 -0.13 2.71 1.01 0.98 -1.23 121.20 129.33 3gab s ILE 460 Ca -0.08 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.09 3gab s ILE 460 Cb -0.15 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 3gab s ILE 460 CO -0.01 0.27 -0.19 -0.63 0.00 0.00 0.00 174.94 174.39 3gab s ILE 461 N 1.51 2.47 -0.48 2.92 1.01 -0.03 -0.47 121.20 128.13 3gab s ILE 461 Ca 0.05 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 3gab s ILE 461 Cb -0.16 -2.00 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 3gab s ILE 461 CO 0.00 0.54 1.60 -0.62 0.00 0.00 0.00 174.94 176.46 3gab s ASP 462 N 0.54 5.93 0.21 3.58 -1.08 -0.43 -0.66 116.67 124.77 3gab s ASP 462 Ca -0.12 0.67 -0.10 0.00 -0.52 0.00 0.00 52.55 52.48 3gab s ASP 462 Cb -0.16 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.06 3gab s ASP 462 CO 0.04 -1.79 1.68 -0.61 0.52 0.00 0.00 175.17 175.01 3gab h GLN 463 N 12.25 0.15 0.33 4.34 4.15 -1.37 -0.22 115.11 134.74 3gab h GLN 463 Ca -0.28 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.11 3gab h GLN 463 Cb 1.13 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3gab h GLN 463 CO 1.13 0.10 -0.16 1.25 -1.93 0.00 0.00 178.83 179.22 3gab h HIS 464 N 0.16 -0.41 -0.18 3.99 2.76 -1.91 -1.53 115.15 118.03 3gab h HIS 464 Ca 0.32 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.53 3gab h HIS 464 Cb 0.51 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 3gab h HIS 464 CO -0.33 -0.08 0.21 0.00 -1.30 0.00 0.00 177.93 176.44 3gab h ALA 465 N -0.28 1.76 0.01 5.26 0.00 -1.89 -0.45 119.26 123.67 3gab h ALA 465 Ca -0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3gab h ALA 465 Cb 0.51 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3gab h ALA 465 CO 0.07 -0.31 -0.38 0.00 0.00 0.00 0.00 179.25 178.64 3gab h ALA 466 N 1.74 0.03 -0.61 0.00 0.00 -0.84 -2.78 119.26 116.79 3gab h ALA 466 Ca 0.08 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3gab h ALA 466 Cb 0.51 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3gab h ALA 466 CO -0.00 0.18 0.30 1.96 0.00 0.00 0.00 179.25 181.69 3gab h GLN 467 N -0.41 0.88 0.52 0.00 4.20 -0.20 -1.44 115.11 118.66 3gab h GLN 467 Ca -0.05 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 3gab h GLN 467 Cb 1.14 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 3gab h GLN 467 CO 0.07 0.70 -0.28 0.93 -0.67 0.00 0.00 178.83 179.58 3gab h GLU 468 N 0.84 -0.72 -0.90 1.46 5.08 -1.24 -0.30 114.58 118.80 3gab h GLU 468 Ca 0.21 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.82 3gab h GLU 468 Cb 0.10 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 3gab h GLU 468 CO -0.03 -0.48 0.59 -0.09 -1.00 0.00 0.00 179.01 178.00 3gab h ARG 469 N -0.75 0.43 -0.25 2.33 9.65 -1.42 0.13 114.38 124.50 3gab h ARG 469 Ca -0.06 -0.03 -0.19 0.00 -1.10 0.00 0.00 59.98 58.60 3gab h ARG 469 Cb 0.59 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 3gab h ARG 469 CO 0.09 0.28 -0.59 0.82 2.80 0.00 0.00 179.97 183.37 3gab h ILE 470 N 0.44 1.28 -0.07 1.20 2.04 -0.71 -2.61 117.51 119.09 3gab h ILE 470 Ca 0.47 -1.79 -0.02 0.00 1.00 0.00 0.00 64.86 64.52 3gab h ILE 470 Cb 1.11 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 3gab h ILE 470 CO -0.19 0.58 -0.05 0.11 0.00 0.00 0.00 178.15 178.60 3gab h LYS 471 N 0.63 0.16 -0.63 2.37 1.57 -0.00 -3.11 116.57 117.55 3gab h LYS 471 Ca 0.00 -0.08 0.12 0.00 -1.87 0.00 0.00 60.65 58.82 3gab h LYS 471 Cb 1.20 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.39 3gab h LYS 471 CO 0.13 0.57 -0.23 -0.92 -0.57 0.00 0.00 179.45 178.44 3gab h TYR 472 N -0.25 -0.56 -0.94 -1.35 3.20 -0.80 0.12 116.97 116.39 3gab h TYR 472 Ca 0.01 0.06 0.10 0.00 3.14 0.00 0.00 58.73 62.05 3gab h TYR 472 Cb 0.54 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.08 3gab h TYR 472 CO 0.08 -0.32 0.60 0.93 -1.64 0.00 0.00 178.16 177.81 3gab h GLU 473 N -0.07 0.91 0.08 1.82 4.39 -1.49 0.35 114.58 120.57 3gab h GLU 473 Ca 0.28 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 3gab h GLU 473 Cb 0.51 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3gab h GLU 473 CO -0.68 0.60 -0.04 -0.92 -1.16 0.00 0.00 179.01 176.82 3gab h TYR 474 N 0.94 -0.10 -0.32 4.33 3.20 -0.77 -2.95 116.97 121.30 3gab h TYR 474 Ca 0.44 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.14 3gab h TYR 474 Cb 0.42 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 3gab h TYR 474 CO -0.00 0.22 -0.47 0.74 -1.64 0.00 0.00 178.16 177.01 3gab h PHE 475 N -0.42 1.06 -1.00 -3.82 0.04 -0.66 -2.13 116.94 110.01 3gab h PHE 475 Ca -0.01 -0.35 0.15 0.00 2.80 0.00 0.00 57.97 60.56 3gab h PHE 475 Cb 0.36 -0.21 -0.09 0.00 2.20 0.00 0.00 35.95 38.21 3gab h PHE 475 CO 0.03 1.17 0.62 -0.09 -0.60 0.00 0.00 178.31 179.44 3gab h ARG 476 N 0.69 0.84 -0.13 1.51 2.43 -0.38 0.28 114.38 119.62 3gab h ARG 476 Ca 0.04 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 3gab h ARG 476 Cb 1.06 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3gab h ARG 476 CO 0.11 0.56 -0.38 1.49 -1.51 0.00 0.00 179.97 180.23 3gab h GLU 477 N 0.87 0.48 -0.02 0.20 4.81 -1.36 -2.44 114.58 117.12 3gab h GLU 477 Ca 0.53 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3gab h GLU 477 Cb 0.69 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3gab h GLU 477 CO -0.31 0.97 -0.07 0.87 -0.73 0.00 0.00 179.01 179.74 3gab h LYS 478 N 0.08 -0.11 -0.97 1.92 1.79 -0.61 -2.18 116.57 116.49 3gab h LYS 478 Ca -0.01 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.57 3gab h LYS 478 Cb 1.01 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 31.60 3gab h LYS 478 CO 0.08 -0.07 0.62 0.28 -1.08 0.00 0.00 179.45 179.28 3gab h VAL 479 N -0.12 0.95 0.00 0.50 2.07 -0.56 -1.33 116.25 117.77 3gab h VAL 479 Ca 0.04 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3gab h VAL 479 Cb 0.16 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3gab h VAL 479 CO -0.09 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.29 3gab n GLY 480 N -1.37 -0.95 3.75 2.17 0.00 -0.85 -4.79 105.19 103.16 3gab n GLY 480 Ca 0.17 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3gab n GLY 480 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gab s GLU 481 N -2.86 4.41 -0.00 1.61 2.02 -0.50 -4.96 118.70 118.41 3gab s GLU 481 Ca 0.10 2.07 -0.25 0.00 0.02 0.00 0.00 54.97 56.90 3gab s GLU 481 Cb 0.10 -3.16 -0.19 0.00 0.10 0.00 0.00 34.13 30.98 3gab s GLU 481 CO 0.26 -0.18 1.35 0.28 0.02 0.00 0.00 175.26 176.99 3gab h VAL 482 N 3.48 1.30 -3.24 2.63 2.07 -1.88 -3.39 116.25 117.22 3gab h VAL 482 Ca -0.46 -0.93 -0.63 0.00 0.82 0.00 0.00 66.70 65.51 3gab h VAL 482 Cb 1.22 1.92 -0.41 0.00 -1.52 0.00 0.00 31.29 32.50 3gab h VAL 482 CO 0.73 0.24 -0.68 -1.61 0.02 0.00 0.00 177.57 176.26 3gab s GLU 483 N -4.61 1.62 0.61 1.57 2.02 -1.26 -5.11 118.70 113.54 3gab s GLU 483 Ca -0.15 -2.27 -0.14 0.00 0.02 0.00 0.00 54.97 52.42 3gab s GLU 483 Cb 0.02 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.36 3gab s GLU 483 CO 0.67 -1.11 1.05 -2.14 0.02 0.00 0.00 175.26 173.74 3gab s PRO 484 N 0.12 3.33 -0.15 0.39 0.02 -1.26 -4.97 135.00 132.47 3gab s PRO 484 Ca 0.17 1.07 -0.29 0.00 0.02 0.00 0.00 61.00 61.96 3gab s PRO 484 Cb -0.25 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 3gab s PRO 484 CO -0.01 -0.79 1.58 -2.00 -0.33 0.00 0.00 177.00 175.44 3gab s GLU 485 N -4.40 4.00 -0.21 5.54 2.12 -1.26 -4.99 118.70 119.50 3gab s GLU 485 Ca 0.61 1.86 -0.09 0.00 0.36 0.00 0.00 54.97 57.70 3gab s GLU 485 Cb -0.14 -3.98 -0.05 0.00 0.26 0.00 0.00 34.13 30.23 3gab s GLU 485 CO 0.42 -1.04 0.12 0.08 -0.54 0.00 0.00 175.26 174.30 3gab s VAL 486 N 4.52 5.13 0.38 3.70 1.01 -1.26 -1.48 120.40 132.39 3gab s VAL 486 Ca 0.70 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.85 3gab s VAL 486 Cb -0.27 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3gab s VAL 486 CO 0.27 0.40 0.23 0.00 0.00 0.00 0.00 175.10 176.00 3gab s GLN 487 N 0.73 2.42 -0.07 2.72 -2.07 -0.67 -4.89 119.66 117.84 3gab s GLN 487 Ca 0.06 -1.59 -0.20 0.00 -1.82 0.00 0.00 55.36 51.82 3gab s GLN 487 Cb -0.13 -2.22 -0.05 0.00 -1.09 0.00 0.00 33.01 29.53 3gab s GLN 487 CO 0.02 -0.03 0.56 -2.00 -1.32 0.00 0.00 175.29 172.52 3gab s GLU 488 N -3.95 4.33 -0.05 9.60 2.12 -1.26 -2.14 118.70 127.35 3gab s GLU 488 Ca 0.42 0.63 -0.30 0.00 0.36 0.00 0.00 54.97 56.08 3gab s GLU 488 Cb -0.02 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 3gab s GLU 488 CO 0.24 0.23 1.59 -1.64 -0.54 0.00 0.00 175.26 175.15 3gab s MET 489 N 0.32 4.20 0.25 4.30 -1.94 0.45 -4.90 119.30 121.99 3gab s MET 489 Ca 0.30 2.13 -0.03 0.00 -1.71 0.00 0.00 55.69 56.38 3gab s MET 489 Cb -0.17 -3.89 0.43 0.00 2.01 0.00 0.00 34.83 33.22 3gab s MET 489 CO 0.14 -0.79 1.82 0.82 -0.01 0.00 0.00 175.02 177.00 3gab h ILE 490 N 5.43 0.92 -3.31 2.53 2.04 -1.96 -3.35 117.51 119.81 3gab h ILE 490 Ca -0.38 -0.29 -0.59 0.00 1.00 0.00 0.00 64.86 64.59 3gab h ILE 490 Cb 1.17 -0.01 -0.40 0.00 -0.74 0.00 0.00 36.82 36.84 3gab h ILE 490 CO 0.95 0.16 -0.75 -0.69 0.00 0.00 0.00 178.15 177.81 3gab s VAL 491 N -6.02 1.15 0.80 1.67 1.01 -1.26 -5.13 120.40 112.63 3gab s VAL 491 Ca -0.12 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.28 3gab s VAL 491 Cb 0.20 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.87 3gab s VAL 491 CO 0.79 -0.55 1.15 -2.84 0.00 0.00 0.00 175.10 173.65 3gab s PRO 492 N 1.49 1.81 0.12 2.72 0.02 -1.26 -5.04 135.00 134.86 3gab s PRO 492 Ca 0.07 1.51 0.09 0.00 0.02 0.00 0.00 61.00 62.68 3gab s PRO 492 Cb -0.18 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 3gab s PRO 492 CO -0.19 -2.03 -0.16 -0.51 -0.33 0.00 0.00 177.00 173.78 3gab s LEU 493 N -5.85 2.78 -0.06 -5.54 1.43 -0.49 -4.96 118.68 105.99 3gab s LEU 493 Ca 0.68 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 3gab s LEU 493 Cb -0.23 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.40 3gab s LEU 493 CO 0.52 0.17 -0.10 0.42 0.23 0.00 0.00 176.35 177.60 3gab s THR 494 N -1.18 0.94 0.05 5.49 -4.23 -1.26 -0.75 115.64 114.69 3gab s THR 494 Ca 0.19 -0.36 0.09 0.00 -1.18 0.00 0.00 61.69 60.43 3gab s THR 494 Cb -0.11 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 3gab s THR 494 CO 0.11 0.31 -0.25 -0.36 -0.54 0.00 0.00 174.62 173.89 3gab s PHE 495 N 0.77 2.35 -0.09 3.99 0.08 -0.22 -4.97 117.98 119.89 3gab s PHE 495 Ca -0.13 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.56 3gab s PHE 495 Cb -0.15 -1.40 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 3gab s PHE 495 CO 0.02 0.15 -0.20 -1.01 -0.10 0.00 0.00 175.22 174.09 3gab s HIS 496 N -0.83 2.62 0.16 0.36 3.76 -1.26 -1.26 115.29 118.84 3gab s HIS 496 Ca 0.12 -0.75 0.04 0.00 -0.15 0.00 0.00 55.06 54.32 3gab s HIS 496 Cb -0.10 -1.71 -0.05 0.00 1.11 0.00 0.00 32.58 31.83 3gab s HIS 496 CO 0.03 -0.24 -0.06 0.71 -0.85 0.00 0.00 174.74 174.33 3gab s TYR 497 N 0.10 1.28 0.91 1.40 2.02 0.72 -5.02 117.35 118.77 3gab s TYR 497 Ca -0.09 -0.85 -0.13 0.00 -0.37 0.00 0.00 57.07 55.63 3gab s TYR 497 Cb -0.15 -0.70 0.14 0.00 -0.40 0.00 0.00 41.96 40.85 3gab s TYR 497 CO 0.06 -0.01 1.16 -1.54 -1.57 0.00 0.00 175.55 173.65 3gab s SER 498 N -3.19 3.51 0.21 2.29 1.04 -1.26 -4.73 113.70 111.57 3gab s SER 498 Ca 0.20 0.84 -0.09 0.00 0.48 0.00 0.00 55.95 57.38 3gab s SER 498 Cb 0.04 -1.32 0.16 0.00 0.10 0.00 0.00 66.02 65.00 3gab s SER 498 CO 0.02 -2.54 1.82 0.74 0.98 0.00 0.00 173.24 174.27 3gab h THR 499 N -1.49 1.24 -0.22 2.02 2.02 -1.99 -0.75 112.91 113.74 3gab h THR 499 Ca -0.49 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.10 3gab h THR 499 Cb 1.32 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 3gab h THR 499 CO 0.59 0.28 0.03 0.78 0.37 0.00 0.00 175.52 177.57 3gab h ASN 500 N 1.11 -0.01 -0.22 4.18 -0.26 -1.99 -1.60 115.58 116.79 3gab h ASN 500 Ca 0.28 0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 56.03 3gab h ASN 500 Cb 0.06 0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 3gab h ASN 500 CO -0.04 0.03 0.05 -0.33 -1.06 0.00 0.00 177.43 176.07 3gab h GLU 501 N 0.11 0.36 -0.61 0.81 5.08 -1.84 -2.24 114.58 116.26 3gab h GLU 501 Ca 0.10 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3gab h GLU 501 Cb 0.10 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3gab h GLU 501 CO -0.14 0.49 0.40 0.00 -1.00 0.00 0.00 179.01 178.76 3gab h ALA 502 N 0.86 1.59 -0.20 3.43 0.00 -1.07 -1.09 119.26 122.78 3gab h ALA 502 Ca 0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3gab h ALA 502 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gab h ALA 502 CO 0.00 0.38 -0.41 1.25 0.00 0.00 0.00 179.25 180.47 3gab h LEU 503 N 0.80 0.48 -0.32 0.00 5.85 -1.04 -0.85 115.31 120.23 3gab h LEU 503 Ca 0.23 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 3gab h LEU 503 Cb -0.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3gab h LEU 503 CO -0.05 0.84 -0.27 0.40 -0.34 0.00 0.00 178.44 179.02 3gab h ILE 504 N 0.38 1.29 -0.13 4.05 2.04 -0.76 -2.22 117.51 122.17 3gab h ILE 504 Ca 0.03 -1.42 0.01 0.00 1.00 0.00 0.00 64.86 64.48 3gab h ILE 504 Cb 0.88 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 3gab h ILE 504 CO 0.07 0.46 0.03 0.40 0.00 0.00 0.00 178.15 179.11 3gab h ILE 505 N 0.51 0.95 -0.17 -0.67 2.04 -1.03 -2.08 117.51 117.06 3gab h ILE 505 Ca 0.06 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3gab h ILE 505 Cb 0.83 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3gab h ILE 505 CO 0.07 0.02 0.06 -0.33 0.00 0.00 0.00 178.15 177.97 3gab h GLU 506 N 0.09 0.23 0.00 2.37 4.39 -1.12 -0.47 114.58 120.06 3gab h GLU 506 Ca 0.06 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3gab h GLU 506 Cb 0.04 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3gab h GLU 506 CO -0.07 0.20 0.00 0.37 -1.16 0.00 0.00 179.01 178.35 3gab h GLN 507 N 0.23 0.00 0.00 2.33 4.15 -0.95 -3.27 115.11 117.61 3gab h GLN 507 Ca 0.06 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 3gab h GLN 507 Cb 0.06 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 3gab h GLN 507 CO -0.01 0.00 -0.05 0.72 -1.93 0.00 0.00 178.83 177.56 3gab n HIS 508 N -2.61 0.00 -0.31 3.99 8.25 -0.29 -4.77 115.22 119.46 3gab n HIS 508 Ca 0.04 -1.00 0.05 0.00 -0.26 0.00 0.00 57.72 56.55 3gab n HIS 508 Cb 0.39 -0.15 0.21 0.00 1.12 0.00 0.00 29.99 31.56 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 0.07 0.78 -0.13 -0.41 3.64 -1.32 0.91 116.57 120.11 3gab h LYS 509 Ca -0.00 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3gab h LYS 509 Cb 1.01 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3gab h LYS 509 CO 0.00 0.52 -0.05 0.37 -2.27 0.00 0.00 179.45 178.01 3gab h GLN 510 N 0.80 0.26 -0.63 1.90 4.15 -1.88 -1.95 115.11 117.76 3gab h GLN 510 Ca 0.45 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.76 3gab h GLN 510 Cb 0.49 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.13 3gab h GLN 510 CO -0.28 0.58 0.41 0.93 -1.93 0.00 0.00 178.83 178.54 3gab h GLU 511 N -0.08 0.83 0.00 1.69 3.07 -1.77 -1.49 114.58 116.83 3gab h GLU 511 Ca 0.03 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.77 3gab h GLU 511 Cb 0.50 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3gab h GLU 511 CO 0.02 0.56 -0.33 -0.07 -1.40 0.00 0.00 179.01 177.78 3gab h LEU 512 N 0.86 0.00 -0.18 1.33 3.38 -0.79 -2.58 115.31 117.32 3gab h LEU 512 Ca 0.23 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.98 3gab h LEU 512 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3gab h LEU 512 CO -0.05 0.33 -0.94 -0.33 0.09 0.00 0.00 178.44 177.54 3gab h GLU 513 N 0.00 0.38 0.00 1.13 5.08 -0.99 0.48 114.58 120.67 3gab h GLU 513 Ca -0.00 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 3gab h GLU 513 Cb 0.61 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 3gab h GLU 513 CO 0.04 1.09 -0.07 0.66 -1.00 0.00 0.00 179.01 179.73 3gab h SER 514 N 0.21 0.00 -0.51 1.42 4.64 -0.87 -1.64 113.55 116.80 3gab h SER 514 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3gab h SER 514 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 3gab h SER 514 CO 0.16 0.07 0.00 1.33 -0.87 0.00 0.00 176.83 177.52 3gab n VAL 515 N -3.71 1.40 -0.33 0.95 0.24 -1.17 -4.84 118.33 110.88 3gab n VAL 515 Ca -0.02 -1.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.11 3gab n VAL 515 Cb 0.18 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 3gab n VAL 515 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gab n GLY 516 N 0.81 0.82 3.54 7.63 0.00 -0.62 -5.00 105.19 112.38 3gab n GLY 516 Ca 0.20 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 5.11 -0.71 1.61 1.01 0.17 -4.38 120.40 121.20 3gab s VAL 517 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3gab s VAL 517 Cb 0.00 -3.89 0.18 0.00 0.00 0.00 0.00 36.38 32.67 3gab s VAL 517 CO 0.00 -0.16 0.53 -0.36 0.00 0.00 0.00 175.10 175.10 3gab s PHE 518 N 2.16 3.56 -0.09 5.22 0.08 -1.26 -3.07 117.98 124.59 3gab s PHE 518 Ca 0.14 -3.08 -0.24 0.00 0.12 0.00 0.00 56.93 53.87 3gab s PHE 518 Cb -0.16 -3.00 -0.03 0.00 -0.57 0.00 0.00 43.02 39.26 3gab s PHE 518 CO 0.12 -0.70 0.72 -0.51 -0.10 0.00 0.00 175.22 174.75 3gab s LEU 519 N -0.91 4.29 -0.11 -0.37 1.43 -1.26 -4.37 118.68 117.37 3gab s LEU 519 Ca 0.22 1.18 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 3gab s LEU 519 Cb -0.13 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 3gab s LEU 519 CO -0.09 -0.17 -0.19 -1.61 0.23 0.00 0.00 176.35 174.52 3gab s GLU 520 N 1.08 3.16 0.40 1.70 2.02 0.85 -4.93 118.70 122.97 3gab s GLU 520 Ca 0.38 -0.79 -0.24 0.00 0.02 0.00 0.00 54.97 54.33 3gab s GLU 520 Cb -0.18 -2.45 -0.12 0.00 0.10 0.00 0.00 34.13 31.49 3gab s GLU 520 CO 0.17 0.22 0.89 -1.13 0.02 0.00 0.00 175.26 175.43 3gab n SER 521 N 3.45 0.70 -2.86 -0.19 3.41 -1.26 0.06 113.62 116.93 3gab n SER 521 Ca -0.18 1.03 -0.12 0.00 -0.26 0.00 0.00 58.87 59.34 3gab n SER 521 Cb 0.53 -1.28 0.05 0.00 -0.26 0.00 0.00 64.21 63.25 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 -0.47 -1.19 0.00 7.33 7.35 0.23 -4.67 117.46 126.04 3gab n PHE 522 Ca 0.10 -2.75 0.00 0.00 -0.76 0.00 0.00 57.45 54.04 3gab n PHE 522 Cb 0.38 0.65 0.00 0.00 0.35 0.00 0.00 39.48 40.86 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 0.11 0.29 3.70 7.13 0.00 -1.26 -4.53 105.19 110.64 3gab n GLY 523 Ca 0.11 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.18 6.96 -1.72 1.61 1.04 -1.26 -3.14 113.70 117.01 3gab s SER 524 Ca 0.00 2.08 0.00 0.00 0.48 0.00 0.00 55.95 58.51 3gab s SER 524 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 3gab s SER 524 CO 0.00 -0.60 0.00 0.59 0.98 0.00 0.00 173.24 174.21 3gab n ASN 525 N 4.54 -5.25 -4.14 7.02 3.02 -1.26 -4.94 115.26 114.25 3gab n ASN 525 Ca 0.11 0.40 -0.19 0.00 -0.03 0.00 0.00 54.58 54.87 3gab n ASN 525 Cb 0.45 -4.17 -0.13 0.00 -0.61 0.00 0.00 39.78 35.32 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 -2.72 1.60 0.09 6.41 0.01 -1.19 -0.20 113.70 117.71 3gab s SER 526 Ca 0.00 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.77 3gab s SER 526 Cb 0.00 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 3gab s SER 526 CO 0.00 -0.00 0.01 -0.31 0.41 0.00 0.00 173.24 173.35 3gab s TYR 527 N -0.94 0.71 0.07 2.43 1.51 -0.39 -0.60 117.35 120.14 3gab s TYR 527 Ca 0.00 -1.14 0.05 0.00 -1.01 0.00 0.00 57.07 54.97 3gab s TYR 527 Cb -0.08 -0.45 -0.03 0.00 -0.11 0.00 0.00 41.96 41.29 3gab s TYR 527 CO 0.01 -0.43 -0.14 0.96 -1.11 0.00 0.00 175.55 174.84 3gab s ILE 528 N -3.96 1.14 -0.11 2.71 -4.36 0.11 -1.05 121.20 115.67 3gab s ILE 528 Ca 0.16 -1.33 0.03 0.00 -0.26 0.00 0.00 60.65 59.25 3gab s ILE 528 Cb 0.08 -1.10 -0.00 0.00 1.25 0.00 0.00 42.46 42.68 3gab s ILE 528 CO -0.04 -0.23 -0.21 -0.69 0.24 0.00 0.00 174.94 174.01 3gab s VAL 529 N -1.30 2.27 0.00 8.37 1.01 0.07 -0.11 120.40 130.72 3gab s VAL 529 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3gab s VAL 529 Cb -0.10 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3gab s VAL 529 CO 0.02 0.55 0.17 0.54 0.00 0.00 0.00 175.10 176.38 3gab n ARG 530 N 3.62 2.50 -3.80 2.72 1.74 -1.26 -1.39 116.66 120.78 3gab n ARG 530 Ca -0.19 -0.17 -0.10 0.00 -0.77 0.00 0.00 57.85 56.62 3gab n ARG 530 Cb 0.53 -0.60 -0.07 0.00 -1.02 0.00 0.00 32.46 31.30 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 -3.19 -0.57 0.27 0.00 -3.43 -0.91 -4.47 115.29 102.99 3gab s HIS 532 Ca -0.00 0.71 -0.29 0.00 -0.80 0.00 0.00 55.06 54.67 3gab s HIS 532 Cb 0.02 0.48 -0.14 0.00 -1.43 0.00 0.00 32.58 31.51 3gab s HIS 532 CO -0.07 -0.69 1.14 -2.30 -2.00 0.00 0.00 174.74 170.81 3gab n PRO 533 N 0.29 1.55 0.21 -0.38 -0.02 -1.26 -1.66 135.00 133.72 3gab n PRO 533 Ca -0.17 0.55 0.15 0.00 -2.02 0.00 0.00 63.50 62.01 3gab n PRO 533 Cb 0.61 -2.01 0.62 0.00 -0.02 0.00 0.00 33.50 32.70 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 2.61 1.00 -0.03 3.55 0.00 -1.60 -2.77 119.26 122.02 3gab h ALA 534 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3gab h ALA 534 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3gab h ALA 534 CO 0.64 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 177.22 3gab n TRP 535 N -2.68 0.02 -1.73 0.00 4.27 -1.26 -4.88 117.44 111.18 3gab n TRP 535 Ca 0.01 -0.01 -0.37 0.00 -3.89 0.00 0.00 57.50 53.24 3gab n TRP 535 Cb 0.25 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.27 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 -0.12 2.00 -1.52 -2.67 3.01 -1.05 -4.85 117.46 112.26 3gab n PHE 536 Ca 0.20 0.42 -0.45 0.00 1.01 0.00 0.00 57.45 58.63 3gab n PHE 536 Cb 0.29 -2.29 -0.05 0.00 -0.01 0.00 0.00 39.48 37.41 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 -1.64 1.30 -1.66 -1.08 -0.02 -1.26 -4.86 135.00 125.78 3gab n PRO 537 Ca 0.14 0.30 -0.48 0.00 -2.02 0.00 0.00 63.50 61.44 3gab n PRO 537 Cb 0.47 -2.86 -0.05 0.00 -0.02 0.00 0.00 33.50 31.05 3gab n PRO 537 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gab n LYS 538 N 8.57 1.97 -0.16 -0.52 4.76 -1.26 -1.34 118.16 130.17 3gab n LYS 538 Ca 0.38 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 56.53 3gab n LYS 538 Cb 0.35 -2.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.07 3gab n LYS 538 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gab n GLY 539 N 3.53 1.38 0.23 0.72 0.00 -1.26 -4.84 105.19 104.95 3gab n GLY 539 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 1.05 -0.05 1.61 1.02 -0.45 -4.79 120.64 117.03 3gab n GLU 540 Ca 0.00 -2.35 -0.16 0.00 -0.02 0.00 0.00 57.16 54.63 3gab n GLU 540 Cb 0.00 -1.30 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 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 0.12 0.80 0.14 3.49 3.07 -1.88 -2.17 114.58 118.15 3gab h GLU 541 Ca -0.01 -0.58 0.01 0.00 -0.50 0.00 0.00 59.36 58.29 3gab h GLU 541 Cb 1.09 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 3gab h GLU 541 CO 0.00 1.20 -0.24 0.00 -1.40 0.00 0.00 179.01 178.57 3gab h ALA 542 N 0.60 -0.43 -0.35 3.43 0.00 -1.93 0.99 119.26 121.57 3gab h ALA 542 Ca -0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3gab h ALA 542 Cb 1.25 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3gab h ALA 542 CO 0.14 -0.78 -0.26 1.05 0.00 0.00 0.00 179.25 179.39 3gab h GLU 543 N -0.46 0.73 -0.34 0.00 9.09 -1.92 -1.99 114.58 119.68 3gab h GLU 543 Ca 0.02 -0.31 -0.04 0.00 0.05 0.00 0.00 59.36 59.09 3gab h GLU 543 Cb 0.47 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.53 3gab h GLU 543 CO -0.12 0.91 0.06 1.25 0.05 0.00 0.00 179.01 181.16 3gab h LEU 544 N 0.63 0.54 -0.15 3.06 5.85 -1.22 -0.40 115.31 123.61 3gab h LEU 544 Ca 0.08 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3gab h LEU 544 Cb 0.77 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3gab h LEU 544 CO 0.06 0.66 0.07 0.40 -0.34 0.00 0.00 178.44 179.29 3gab h ILE 545 N 0.40 1.14 -0.59 4.05 2.04 -0.73 -0.08 117.51 123.75 3gab h ILE 545 Ca 0.10 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 3gab h ILE 545 Cb 0.35 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3gab h ILE 545 CO 0.01 0.13 0.31 -0.08 0.00 0.00 0.00 178.15 178.52 3gab h GLU 546 N 0.10 0.83 -0.38 2.37 4.81 -1.35 -1.98 114.58 118.98 3gab h GLU 546 Ca 0.05 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 3gab h GLU 546 Cb 0.15 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3gab h GLU 546 CO -0.01 0.62 -0.41 1.49 -0.73 0.00 0.00 179.01 179.98 3gab h GLU 547 N 0.83 0.94 -0.44 1.92 4.81 -0.66 -0.53 114.58 121.45 3gab h GLU 547 Ca 0.21 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 3gab h GLU 547 Cb 0.05 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3gab h GLU 547 CO -0.03 1.16 0.23 0.82 -0.73 0.00 0.00 179.01 180.47 3gab h ILE 548 N 0.76 1.16 -0.14 2.32 2.04 -0.81 -2.13 117.51 120.72 3gab h ILE 548 Ca 0.06 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3gab h ILE 548 Cb 1.01 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3gab h ILE 548 CO 0.10 0.17 0.09 0.40 0.00 0.00 0.00 178.15 178.91 3gab h ILE 549 N 0.57 1.05 -0.84 -0.67 2.04 -1.20 -2.61 117.51 115.85 3gab h ILE 549 Ca 0.15 -0.11 0.11 0.00 1.00 0.00 0.00 64.86 66.02 3gab h ILE 549 Cb 0.07 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3gab h ILE 549 CO -0.02 0.05 0.54 -0.61 0.00 0.00 0.00 178.15 178.11 3gab h GLN 550 N 0.17 0.72 -0.58 2.37 5.75 -0.96 0.24 115.11 122.82 3gab h GLN 550 Ca 0.05 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 3gab h GLN 550 Cb -0.00 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 3gab h GLN 550 CO -0.01 0.48 0.30 0.37 -2.65 0.00 0.00 178.83 177.31 3gab h GLN 551 N 0.74 0.83 -0.33 1.69 5.75 -1.04 0.51 115.11 123.26 3gab h GLN 551 Ca 0.40 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 3gab h GLN 551 Cb 0.53 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 3gab h GLN 551 CO -0.16 0.66 0.14 0.28 -2.65 0.00 0.00 178.83 177.09 3gab h VAL 552 N 0.79 1.18 -0.40 2.39 2.07 -0.81 -1.11 116.25 120.37 3gab h VAL 552 Ca 0.20 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3gab h VAL 552 Cb 0.09 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3gab h VAL 552 CO -0.03 0.19 0.23 -0.07 0.02 0.00 0.00 177.57 177.92 3gab h LEU 553 N 0.39 0.48 -1.47 2.57 3.38 -0.61 -1.83 115.31 118.21 3gab h LEU 553 Ca 0.11 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3gab h LEU 553 Cb 0.18 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3gab h LEU 553 CO -0.01 0.40 -0.16 0.44 0.09 0.00 0.00 178.44 179.20 3gab h ASP 554 N 0.52 0.14 1.33 -0.43 3.32 0.11 -2.73 116.42 118.67 3gab h ASP 554 Ca 0.14 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 3gab h ASP 554 Cb 0.01 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3gab h ASP 554 CO -0.03 0.31 -0.57 0.28 -1.72 0.00 0.00 179.24 177.51 3gab h SER 555 N 0.14 0.00 0.00 6.45 0.02 -0.87 -3.47 113.55 115.82 3gab h SER 555 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3gab h SER 555 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3gab h SER 555 CO 0.02 0.57 0.00 0.29 -1.14 0.00 0.00 176.83 176.58 3gab n LYS 556 N -3.29 0.00 -4.43 3.45 4.76 -0.72 -4.65 118.16 113.28 3gab n LYS 556 Ca 0.01 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.23 3gab n LYS 556 Cb 0.74 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.77 3gab n LYS 556 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3gab s ASN 557 N 0.00 1.43 -0.07 4.39 0.01 -1.26 -4.93 114.94 114.50 3gab s ASN 557 Ca 0.00 -0.23 -0.05 0.00 -0.71 0.00 0.00 52.86 51.87 3gab s ASN 557 Cb 0.00 -0.62 0.02 0.00 0.41 0.00 0.00 41.25 41.06 3gab s ASN 557 CO 0.00 0.02 0.18 -0.51 -1.51 0.00 0.00 177.10 175.27 3gab s ILE 558 N 0.64 -0.01 0.50 0.60 2.07 -1.26 -5.12 121.20 118.62 3gab s ILE 558 Ca -0.12 0.04 -0.17 0.00 -1.41 0.00 0.00 60.65 58.99 3gab s ILE 558 Cb -0.14 -0.26 -0.08 0.00 0.13 0.00 0.00 42.46 42.10 3gab s ILE 558 CO 0.02 0.02 0.97 -0.62 -1.91 0.00 0.00 174.94 173.42 3gab s ASP 559 N 0.38 6.68 0.29 4.50 2.15 -1.26 -4.93 116.67 124.48 3gab s ASP 559 Ca -0.02 1.58 -0.01 0.00 0.43 0.00 0.00 52.55 54.52 3gab s ASP 559 Cb -0.04 -2.51 0.45 0.00 -0.30 0.00 0.00 42.92 40.53 3gab s ASP 559 CO -0.02 -0.54 1.94 -0.29 -0.17 0.00 0.00 175.17 176.10 3gab h ILE 560 N 1.11 1.16 -0.16 4.11 2.10 -1.98 -1.43 117.51 122.42 3gab h ILE 560 Ca -0.47 -0.38 -0.09 0.00 1.08 0.00 0.00 64.86 65.00 3gab h ILE 560 Cb 1.18 -0.05 -0.00 0.00 -1.09 0.00 0.00 36.82 36.86 3gab h ILE 560 CO 0.61 0.20 -0.25 0.11 -1.08 0.00 0.00 178.15 177.75 3gab h LYS 561 N 1.12 0.45 -0.91 2.19 1.57 -1.98 0.26 116.57 119.26 3gab h LYS 561 Ca 0.35 -0.27 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3gab h LYS 561 Cb -0.00 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.27 3gab h LYS 561 CO -0.10 0.86 0.57 -0.22 -0.57 0.00 0.00 179.45 180.00 3gab h LYS 562 N 0.08 1.01 -0.28 3.15 3.64 -1.92 -0.06 116.57 122.19 3gab h LYS 562 Ca 0.01 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.17 3gab h LYS 562 Cb 0.82 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3gab h LYS 562 CO 0.06 0.66 -0.47 1.25 -2.27 0.00 0.00 179.45 178.68 3gab h LEU 563 N 1.04 0.90 -0.79 5.20 5.85 -1.11 -1.31 115.31 125.09 3gab h LEU 563 Ca 0.40 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3gab h LEU 563 Cb 0.19 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3gab h LEU 563 CO -0.18 1.25 0.46 0.03 -0.34 0.00 0.00 178.44 179.66 3gab h ARG 564 N 0.57 1.08 0.09 1.25 3.08 -0.08 0.26 114.38 120.64 3gab h ARG 564 Ca 0.02 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3gab h ARG 564 Cb 1.08 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3gab h ARG 564 CO 0.11 0.78 -0.04 1.49 -1.07 0.00 0.00 179.97 181.23 3gab h GLU 565 N 1.08 -0.12 -0.16 0.04 4.57 -0.97 -2.17 114.58 116.86 3gab h GLU 565 Ca 0.28 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.34 3gab h GLU 565 Cb -0.01 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3gab h GLU 565 CO -0.05 0.06 -0.44 0.93 -1.18 0.00 0.00 179.01 178.33 3gab h GLU 566 N -0.29 0.38 -0.54 1.92 5.08 -0.97 -2.12 114.58 118.04 3gab h GLU 566 Ca -0.01 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 3gab h GLU 566 Cb 0.24 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3gab h GLU 566 CO 0.02 0.76 0.01 0.00 -1.00 0.00 0.00 179.01 178.80 3gab h ALA 567 N 1.22 0.72 -0.40 3.43 0.00 -0.50 -0.82 119.26 122.90 3gab h ALA 567 Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3gab h ALA 567 Cb 0.91 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3gab h ALA 567 CO 0.08 0.54 0.08 0.00 0.00 0.00 0.00 179.25 179.94 3gab h ALA 568 N 0.96 1.39 -0.17 0.00 0.00 -1.16 -1.20 119.26 119.08 3gab h ALA 568 Ca 0.15 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3gab h ALA 568 Cb 0.52 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gab h ALA 568 CO 0.03 0.44 -0.60 0.82 0.00 0.00 0.00 179.25 179.93 3gab h ILE 569 N 0.59 1.31 -0.82 0.00 2.04 -1.14 -1.89 117.51 117.60 3gab h ILE 569 Ca 0.13 -1.83 0.05 0.00 1.00 0.00 0.00 64.86 64.21 3gab h ILE 569 Cb 0.25 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 3gab h ILE 569 CO -0.00 0.57 0.51 0.24 0.00 0.00 0.00 178.15 179.48 3gab h MET 570 N 0.40 0.93 -0.62 2.37 2.86 -0.87 -1.69 114.93 118.32 3gab h MET 570 Ca -0.03 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3gab h MET 570 Cb 1.23 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 3gab h MET 570 CO 0.13 0.62 0.25 0.52 1.06 0.00 0.00 176.91 179.48 3gab h MET 571 N 0.96 0.93 0.00 1.72 2.86 -1.14 -2.89 114.93 117.38 3gab h MET 571 Ca 0.35 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3gab h MET 571 Cb 0.11 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3gab h MET 571 CO -0.15 0.79 0.00 0.66 1.06 0.00 0.00 176.91 179.27 3gab h SER 572 N 0.87 0.00 0.57 1.22 4.64 -0.94 -2.64 113.55 117.27 3gab h SER 572 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3gab h SER 572 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3gab h SER 572 CO -0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.86 3gab n LYS 574 N -1.23 2.89 0.00 0.00 4.76 -1.00 -5.10 118.16 118.49 3gab n LYS 574 Ca 0.12 -1.85 0.00 0.00 -2.87 0.00 0.00 58.31 53.72 3gab n LYS 574 Cb 0.28 -2.64 0.00 0.00 -1.84 0.00 0.00 35.03 30.83 3gab n LYS 574 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3gab n ARG 581 N 3.96 0.00 -1.70 1.97 5.12 -1.25 -5.06 116.66 119.69 3gab n ARG 581 Ca 0.62 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 56.11 3gab n ARG 581 Cb 0.19 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.46 3gab n ARG 581 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3gab s HIS 582 N 0.00 1.33 0.18 -1.55 3.76 -1.26 -4.80 115.29 112.95 3gab s HIS 582 Ca 0.00 0.22 -0.21 0.00 -0.15 0.00 0.00 55.06 54.91 3gab s HIS 582 Cb 0.00 -4.05 -0.08 0.00 1.11 0.00 0.00 32.58 29.56 3gab s HIS 582 CO 0.00 -4.40 0.72 -0.51 -0.85 0.00 0.00 174.74 169.70 3gab s LEU 583 N 6.67 4.45 0.78 0.89 1.43 -1.26 -5.05 118.68 126.59 3gab s LEU 583 Ca 0.93 1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 3gab s LEU 583 Cb -0.35 -3.40 0.06 0.00 0.03 0.00 0.00 46.19 42.53 3gab s LEU 583 CO 0.36 0.12 1.08 -0.13 0.23 0.00 0.00 176.35 178.02 3gab s ARG 584 N -1.59 2.25 0.48 1.70 0.52 -1.26 -4.85 118.95 116.20 3gab s ARG 584 Ca 0.39 0.97 0.19 0.00 -0.52 0.00 0.00 55.73 56.76 3gab s ARG 584 Cb -0.19 -1.91 1.20 0.00 0.52 0.00 0.00 34.95 34.57 3gab s ARG 584 CO 0.22 -1.59 1.98 -0.97 0.02 0.00 0.00 175.30 174.96 3gab h ASN 585 N -1.08 0.20 -0.11 0.23 -1.24 -1.99 -1.41 115.58 110.18 3gab h ASN 585 Ca -0.45 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 56.52 3gab h ASN 585 Cb 1.24 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 40.25 3gab h ASN 585 CO 0.55 0.11 -0.10 -2.24 -1.29 0.00 0.00 177.43 174.46 3gab h ASP 586 N 0.22 0.27 -0.24 1.15 3.04 -2.01 -2.57 116.42 116.28 3gab h ASP 586 Ca 0.27 -0.47 0.07 0.00 -3.24 0.00 0.00 57.03 53.66 3gab h ASP 586 Cb 0.77 -0.08 -0.01 0.00 -1.04 0.00 0.00 39.33 38.98 3gab h ASP 586 CO -0.05 0.69 0.19 -0.33 -2.04 0.00 0.00 179.24 177.69 3gab h GLU 587 N -0.14 0.00 -0.12 4.15 5.08 -1.65 -2.57 114.58 119.33 3gab h GLU 587 Ca 0.02 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3gab h GLU 587 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3gab h GLU 587 CO 0.02 0.00 -0.29 0.82 -1.00 0.00 0.00 179.01 178.56 3gab h ILE 588 N 0.00 1.38 -0.45 3.13 2.04 -1.05 -1.65 117.51 120.90 3gab h ILE 588 Ca 0.11 -1.58 -0.09 0.00 1.00 0.00 0.00 64.86 64.30 3gab h ILE 588 Cb 0.49 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3gab h ILE 588 CO -0.00 0.47 -0.07 0.50 0.00 0.00 0.00 178.15 179.04 3gab h LYS 589 N 0.01 0.85 -0.77 2.37 3.64 -1.10 -0.66 116.57 120.90 3gab h LYS 589 Ca -0.00 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 3gab h LYS 589 Cb 0.90 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 3gab h LYS 589 CO 0.06 0.94 0.38 0.00 -2.27 0.00 0.00 179.45 178.56 3gab h ALA 590 N 0.88 0.99 -0.07 5.00 0.00 -1.52 0.28 119.26 124.82 3gab h ALA 590 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gab h ALA 590 Cb 0.60 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gab h ALA 590 CO 0.04 0.55 0.04 1.25 0.00 0.00 0.00 179.25 181.13 3gab h LEU 591 N 1.08 0.08 -0.73 0.00 6.46 -1.13 -0.05 115.31 121.03 3gab h LEU 591 Ca 0.27 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3gab h LEU 591 Cb 0.11 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 39.98 3gab h LEU 591 CO -0.03 0.09 0.46 -0.07 -0.62 0.00 0.00 178.44 178.26 3gab h LEU 592 N 0.07 0.86 -0.89 2.25 3.38 -0.65 0.11 115.31 120.44 3gab h LEU 592 Ca 0.03 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3gab h LEU 592 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3gab h LEU 592 CO -0.01 0.65 -0.34 0.44 0.09 0.00 0.00 178.44 179.27 3gab h ASP 593 N 0.99 0.42 0.04 -0.43 3.32 -0.25 -1.65 116.42 118.85 3gab h ASP 593 Ca 0.26 -0.16 -0.23 0.00 0.02 0.00 0.00 57.03 56.92 3gab h ASP 593 Cb -0.07 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.38 3gab h ASP 593 CO -0.05 0.73 -0.88 0.44 -1.72 0.00 0.00 179.24 177.77 3gab h ASP 594 N 0.35 0.80 -0.21 6.45 3.32 -0.64 -3.00 116.42 123.48 3gab h ASP 594 Ca 0.04 -0.58 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 3gab h ASP 594 Cb 0.77 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3gab h ASP 594 CO 0.06 1.37 0.04 0.25 -1.72 0.00 0.00 179.24 179.24 3gab h LEU 595 N 0.41 0.41 -0.26 1.55 5.85 -0.57 -2.78 115.31 119.92 3gab h LEU 595 Ca -0.08 -0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.43 3gab h LEU 595 Cb 1.50 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.43 3gab h LEU 595 CO 0.17 0.44 -0.46 0.03 -0.34 0.00 0.00 178.44 178.28 3gab h ARG 596 N 0.44 0.77 0.00 1.25 3.08 -1.30 -2.99 114.38 115.63 3gab h ARG 596 Ca 0.10 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3gab h ARG 596 Cb 0.22 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3gab h ARG 596 CO 0.00 1.11 0.00 0.66 -1.07 0.00 0.00 179.97 180.67 3gab h SER 597 N 0.52 0.00 -4.12 7.04 4.64 -1.37 -3.44 113.55 116.82 3gab h SER 597 Ca 0.02 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.78 3gab h SER 597 Cb 1.07 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.32 3gab h SER 597 CO 0.10 0.00 0.44 0.41 -0.87 0.00 0.00 176.83 176.91 3gab n THR 598 N -3.06 3.89 -0.00 2.95 -1.04 -1.07 -4.96 114.28 110.99 3gab n THR 598 Ca -0.01 -0.39 -0.12 0.00 -2.04 0.00 0.00 64.05 61.49 3gab n THR 598 Cb 0.22 -1.38 -0.07 0.00 -1.82 0.00 0.00 70.33 67.27 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 0.00 0.08 -3.18 8.00 4.64 -1.86 -3.38 113.55 117.85 3gab h SER 599 Ca -0.49 -0.23 -0.61 0.00 -0.47 0.00 0.00 61.79 59.98 3gab h SER 599 Cb 1.33 -0.02 -0.40 0.00 -0.31 0.00 0.00 62.40 62.99 3gab h SER 599 CO 0.50 0.29 -0.71 -0.62 -0.87 0.00 0.00 176.83 175.42 3gab s ASP 600 N -5.50 3.71 0.09 4.97 2.15 -1.26 -4.94 116.67 115.89 3gab s ASP 600 Ca -0.14 -3.26 0.23 0.00 0.43 0.00 0.00 52.55 49.81 3gab s ASP 600 Cb 0.05 -1.21 0.92 0.00 -0.30 0.00 0.00 42.92 42.38 3gab s ASP 600 CO 0.68 -0.17 1.72 -0.81 -0.17 0.00 0.00 175.17 176.42 3gab n PRO 601 N 2.71 0.09 0.10 4.34 -0.04 -1.26 -3.59 135.00 137.35 3gab n PRO 601 Ca 0.17 0.20 0.05 0.00 -0.04 0.00 0.00 63.50 63.88 3gab n PRO 601 Cb 0.37 -1.63 -0.00 0.00 -0.04 0.00 0.00 33.50 32.20 3gab n PRO 601 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3gab h PHE 602 N 0.00 0.00 -3.77 0.54 -1.00 -1.92 -3.41 116.94 107.39 3gab h PHE 602 Ca 0.00 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.41 3gab h PHE 602 Cb 0.45 0.00 -0.31 0.00 3.61 0.00 0.00 35.95 39.70 3gab h PHE 602 CO 0.00 0.34 -0.77 0.99 -1.61 0.00 0.00 178.31 177.26 3gab s THR 603 N -3.08 0.54 0.71 -1.55 2.01 -1.24 -1.75 115.64 111.27 3gab s THR 603 Ca 0.01 -0.23 -0.15 0.00 0.31 0.00 0.00 61.69 61.63 3gab s THR 603 Cb 0.08 -0.49 0.03 0.00 0.01 0.00 0.00 72.50 72.13 3gab s THR 603 CO 0.77 0.18 1.16 0.00 -0.69 0.00 0.00 174.62 176.04 3gab h PRO 605 N -0.25 0.00 0.00 0.00 0.11 -1.89 -0.18 132.00 129.79 3gab h PRO 605 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gab h PRO 605 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gab h PRO 605 CO 0.51 0.00 -0.80 0.72 -0.21 0.00 0.00 178.00 178.22 3gab n HIS 606 N -3.11 0.24 0.00 0.65 8.25 -1.26 -4.96 115.22 115.04 3gab n HIS 606 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3gab n HIS 606 Cb 0.43 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 1.40 1.48 3.77 -1.41 0.00 -0.08 -5.10 105.19 105.25 3gab n GLY 607 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3gab n GLY 607 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gab s ARG 608 N -0.28 4.10 0.24 1.61 0.52 -1.26 -4.67 118.95 119.22 3gab s ARG 608 Ca 0.00 1.69 -0.30 0.00 -0.52 0.00 0.00 55.73 56.60 3gab s ARG 608 Cb 0.00 -2.62 -0.10 0.00 0.52 0.00 0.00 34.95 32.75 3gab s ARG 608 CO 0.00 -0.24 1.41 -2.14 0.02 0.00 0.00 175.30 174.35 3gab s PRO 609 N -2.38 4.29 -0.17 3.54 0.02 -1.26 0.82 135.00 139.87 3gab s PRO 609 Ca 0.57 2.25 0.10 0.00 0.02 0.00 0.00 61.00 63.95 3gab s PRO 609 Cb -0.27 -3.12 -0.23 0.00 0.02 0.00 0.00 34.50 30.90 3gab s PRO 609 CO 0.33 -0.38 0.18 -0.89 -0.33 0.00 0.00 177.00 175.91 3gab n ILE 610 N 2.32 1.51 -3.94 2.83 5.41 -0.72 -4.76 119.36 122.00 3gab n ILE 610 Ca 0.06 -0.76 -0.28 0.00 1.00 0.00 0.00 62.75 62.77 3gab n ILE 610 Cb 0.41 -0.96 -0.17 0.00 -0.71 0.00 0.00 39.64 38.21 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 -2.53 1.27 -0.21 1.39 1.01 -1.24 -1.31 121.20 119.57 3gab s ILE 611 Ca -0.16 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 3gab s ILE 611 Cb 0.07 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 3gab s ILE 611 CO 0.77 0.30 0.25 -0.63 0.00 0.00 0.00 174.94 175.62 3gab s ILE 612 N 1.59 5.31 -0.17 2.92 -1.09 0.38 -4.95 121.20 125.20 3gab s ILE 612 Ca 0.03 0.39 -0.01 0.00 -2.23 0.00 0.00 60.65 58.83 3gab s ILE 612 Cb -0.14 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.15 3gab s ILE 612 CO -0.09 0.34 -0.11 -2.28 -1.23 0.00 0.00 174.94 171.58 3gab s HIS 613 N 0.94 2.86 -0.36 3.97 5.65 -1.26 -0.01 115.29 127.08 3gab s HIS 613 Ca 0.12 -0.86 -0.03 0.00 0.25 0.00 0.00 55.06 54.54 3gab s HIS 613 Cb -0.13 -1.95 0.08 0.00 -1.18 0.00 0.00 32.58 29.39 3gab s HIS 613 CO 0.04 -0.40 0.12 -1.01 -0.65 0.00 0.00 174.74 172.85 3gab s HIS 614 N 0.86 3.41 0.86 3.88 3.76 -0.07 -5.01 115.29 122.98 3gab s HIS 614 Ca -0.03 -2.01 -0.11 0.00 -0.15 0.00 0.00 55.06 52.76 3gab s HIS 614 Cb -0.15 -2.67 0.11 0.00 1.11 0.00 0.00 32.58 30.98 3gab s HIS 614 CO 0.00 -0.87 1.10 -1.54 -0.85 0.00 0.00 174.74 172.59 3gab s SER 615 N 1.58 3.70 0.31 1.40 1.04 -1.26 -0.28 113.70 120.19 3gab s SER 615 Ca 0.02 1.81 0.08 0.00 0.48 0.00 0.00 55.95 58.34 3gab s SER 615 Cb -0.21 -2.44 0.82 0.00 0.10 0.00 0.00 66.02 64.29 3gab s SER 615 CO -0.02 -2.55 1.75 0.74 0.98 0.00 0.00 173.24 174.15 3gab h THR 616 N -1.48 0.61 0.03 2.02 2.02 -1.31 -1.41 112.91 113.39 3gab h THR 616 Ca -0.46 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 3gab h THR 616 Cb 1.26 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3gab h THR 616 CO 0.50 0.12 -0.02 0.22 0.37 0.00 0.00 175.52 176.71 3gab h TYR 617 N 0.65 -0.04 -0.50 3.16 3.20 -1.90 -2.37 116.97 119.17 3gab h TYR 617 Ca 0.61 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.63 3gab h TYR 617 Cb 1.08 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 3gab h TYR 617 CO -0.01 0.54 0.38 0.93 -1.64 0.00 0.00 178.16 178.36 3gab h GLU 618 N -0.66 0.00 0.08 1.82 5.08 -1.74 0.97 114.58 120.12 3gab h GLU 618 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3gab h GLU 618 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 3gab h GLU 618 CO 0.01 0.00 -0.52 0.52 -1.00 0.00 0.00 179.01 178.01 3gab h MET 619 N 0.00 0.22 -0.96 2.33 2.86 -1.25 -2.81 114.93 115.32 3gab h MET 619 Ca 0.24 -0.34 0.12 0.00 -2.06 0.00 0.00 59.70 57.65 3gab h MET 619 Cb 0.99 0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.69 3gab h MET 619 CO -0.00 1.13 0.61 0.93 1.06 0.00 0.00 176.91 180.64 3gab h GLU 620 N -0.52 0.89 -0.13 1.72 5.08 -0.83 -2.25 114.58 118.55 3gab h GLU 620 Ca -0.09 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 3gab h GLU 620 Cb 1.38 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3gab h GLU 620 CO 0.10 0.59 -0.29 -0.22 -1.00 0.00 0.00 179.01 178.19 3gab h LYS 621 N 0.92 0.24 -0.00 2.33 3.64 -0.83 -1.30 116.57 121.57 3gab h LYS 621 Ca 0.47 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3gab h LYS 621 Cb 0.50 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3gab h LYS 621 CO -0.23 0.52 -0.35 0.00 -2.27 0.00 0.00 179.45 177.12 3gab n MET 622 N -4.13 0.06 0.00 1.90 0.00 -0.90 -3.60 117.12 110.45 3gab n MET 622 Ca -0.01 -0.03 0.10 0.00 0.00 0.00 0.00 57.70 57.76 3gab n MET 622 Cb 0.39 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 32.02 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 -1.44 0.00 1.06 3.17 3.72 -0.81 -4.10 117.46 119.05 3gab n PHE 623 Ca 0.07 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.58 3gab n PHE 623 Cb 0.33 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.02 3gab n PHE 623 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3gab n LYS 624 N -1.11 0.36 0.00 -1.08 5.02 -0.55 -5.08 118.16 115.72 3gab n LYS 624 Ca 0.05 -0.25 0.15 0.00 -2.02 0.00 0.00 58.31 56.24 3gab n LYS 624 Cb 0.35 -1.49 0.91 0.00 -0.02 0.00 0.00 35.03 34.78 3gab n LYS 624 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42