#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cc3 s GLU 502 N 0.00 3.52 -0.40 0.00 0.41 -1.26 -4.94 118.70 116.04 1cc3 s GLU 502 Ca 0.00 -0.05 0.05 0.00 -0.41 0.00 0.00 54.97 54.56 1cc3 s GLU 502 Cb 0.00 -3.88 0.47 0.00 -1.78 0.00 0.00 34.13 28.94 1cc3 s GLU 502 CO 0.00 -0.92 1.49 0.00 -0.49 0.00 0.00 175.26 175.34 1cc3 s SER 504 N -2.87 -0.67 0.04 0.00 1.04 -1.26 -1.46 113.70 108.52 1cc3 s SER 504 Ca 0.54 0.84 0.02 0.00 0.48 0.00 0.00 55.95 57.82 1cc3 s SER 504 Cb 0.44 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 67.23 1cc3 s SER 504 CO 0.02 -0.54 -0.08 0.54 0.98 0.00 0.00 173.24 174.15 1cc3 s VAL 505 N -0.92 0.54 -0.19 5.02 0.11 -0.19 -4.93 120.40 119.82 1cc3 s VAL 505 Ca -0.09 -1.01 -0.07 0.00 -2.93 0.00 0.00 61.98 57.88 1cc3 s VAL 505 Cb -0.01 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1cc3 s VAL 505 CO 0.08 -0.34 0.07 -1.81 -3.33 0.00 0.00 175.10 169.77 1cc3 s ASP 506 N -1.46 5.58 -0.01 3.54 1.01 -1.26 -0.95 116.67 123.13 1cc3 s ASP 506 Ca -0.09 0.05 0.08 0.00 0.71 0.00 0.00 52.55 53.30 1cc3 s ASP 506 Cb -0.09 -1.96 -0.02 0.00 1.01 0.00 0.00 42.92 41.85 1cc3 s ASP 506 CO 0.00 0.14 -0.25 -0.63 0.21 0.00 0.00 175.17 174.65 1cc3 s ILE 507 N 0.55 2.01 -0.05 0.77 1.01 -0.34 -4.93 121.20 120.21 1cc3 s ILE 507 Ca 0.03 -1.13 0.05 0.00 0.00 0.00 0.00 60.65 59.60 1cc3 s ILE 507 Cb -0.13 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 1cc3 s ILE 507 CO 0.01 0.52 -0.18 -1.10 0.00 0.00 0.00 174.94 174.19 1cc3 s GLN 508 N -0.72 2.46 -0.25 2.79 1.11 -1.26 -1.50 119.66 122.30 1cc3 s GLN 508 Ca 0.10 -0.78 -0.02 0.00 0.01 0.00 0.00 55.36 54.67 1cc3 s GLN 508 Cb -0.10 -2.28 0.02 0.00 -1.01 0.00 0.00 33.01 29.65 1cc3 s GLN 508 CO -0.00 0.56 -0.06 0.20 0.01 0.00 0.00 175.29 175.99 1cc3 s GLY 509 N -0.57 1.62 0.00 3.09 0.00 0.04 -2.38 107.32 109.13 1cc3 s GLY 509 Ca 0.08 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1cc3 s GLY 509 CO 0.01 0.51 0.00 1.16 0.00 0.00 0.00 173.10 174.78 1cc3 n ASN 510 N 4.68 1.00 0.00 1.64 0.23 -0.35 -3.65 115.26 118.81 1cc3 n ASN 510 Ca -0.17 -0.06 0.12 0.00 -0.53 0.00 0.00 54.58 53.95 1cc3 n ASN 510 Cb 0.47 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.73 1cc3 n ASN 510 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1cc3 n ASP 511 N -0.13 0.00 -0.83 0.53 8.00 -1.25 -2.67 116.55 120.20 1cc3 n ASP 511 Ca 0.00 0.43 0.05 0.00 0.71 0.00 0.00 54.79 55.98 1cc3 n ASP 511 Cb 0.00 -0.48 0.22 0.00 -0.02 0.00 0.00 41.12 40.85 1cc3 n ASP 511 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cc3 n GLN 512 N -1.48 2.30 -3.57 -1.24 3.00 -1.26 -4.96 117.38 110.17 1cc3 n GLN 512 Ca 0.07 -2.91 -0.19 0.00 -0.01 0.00 0.00 57.00 53.96 1cc3 n GLN 512 Cb 0.29 -1.78 0.06 0.00 0.00 0.00 0.00 30.24 28.81 1cc3 n GLN 512 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1cc3 n MET 513 N -0.86 -5.68 -4.90 -1.09 2.81 -1.09 -4.87 117.12 101.44 1cc3 n MET 513 Ca 0.24 0.73 -0.33 0.00 -1.81 0.00 0.00 57.70 56.53 1cc3 n MET 513 Cb 0.89 -5.50 -0.15 0.00 -0.71 0.00 0.00 33.22 27.76 1cc3 n MET 513 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1cc3 s GLN 514 N -5.68 3.08 0.25 0.03 -0.21 -1.26 -4.48 119.66 111.39 1cc3 s GLN 514 Ca 0.00 -0.73 -0.13 0.00 0.02 0.00 0.00 55.36 54.53 1cc3 s GLN 514 Cb -0.00 -2.50 -0.08 0.00 1.00 0.00 0.00 33.01 31.44 1cc3 s GLN 514 CO 0.77 0.31 0.62 -0.06 -2.12 0.00 0.00 175.29 174.82 1cc3 s PHE 515 N 0.07 3.45 -1.57 0.91 0.08 -1.25 -1.21 117.98 118.46 1cc3 s PHE 515 Ca -0.06 1.05 0.28 0.00 0.12 0.00 0.00 56.93 58.32 1cc3 s PHE 515 Cb -0.15 -2.39 1.17 0.00 -0.57 0.00 0.00 43.02 41.08 1cc3 s PHE 515 CO 0.05 0.24 1.83 0.27 -0.10 0.00 0.00 175.22 177.50 1cc3 n ASN 516 N -0.03 0.46 -3.93 1.36 6.94 -1.00 -4.84 115.26 114.22 1cc3 n ASN 516 Ca 0.01 -0.49 -0.10 0.00 -0.02 0.00 0.00 54.58 53.98 1cc3 n ASN 516 Cb 0.52 -0.08 -0.10 0.00 -2.36 0.00 0.00 39.78 37.77 1cc3 n ASN 516 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1cc3 s THR 517 N -2.54 0.12 -0.11 5.53 -1.32 -1.26 -5.03 115.64 111.03 1cc3 s THR 517 Ca 0.27 -1.01 0.14 0.00 -1.21 0.00 0.00 61.69 59.88 1cc3 s THR 517 Cb 0.20 -0.70 0.25 0.00 -1.51 0.00 0.00 72.50 70.74 1cc3 s THR 517 CO 0.49 -0.55 1.13 -0.46 -2.21 0.00 0.00 174.62 173.02 1cc3 n ASN 518 N 1.04 1.71 -3.15 8.08 0.23 -1.26 -4.79 115.26 117.12 1cc3 n ASN 518 Ca -0.21 -2.93 0.04 0.00 -0.53 0.00 0.00 54.58 50.96 1cc3 n ASN 518 Cb 0.57 -0.39 -0.01 0.00 -2.08 0.00 0.00 39.78 37.87 1cc3 n ASN 518 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cc3 s ALA 519 N -2.20 -2.43 -0.08 -2.53 0.00 -1.25 -0.96 121.76 112.31 1cc3 s ALA 519 Ca 0.26 1.75 -0.04 0.00 0.00 0.00 0.00 51.96 53.93 1cc3 s ALA 519 Cb 0.24 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1cc3 s ALA 519 CO 0.00 -1.38 0.09 0.42 0.00 0.00 0.00 175.76 174.89 1cc3 s ILE 520 N 2.87 5.01 -0.27 0.00 1.01 0.51 -4.94 121.20 125.40 1cc3 s ILE 520 Ca 0.18 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1cc3 s ILE 520 Cb -0.14 -3.19 0.07 0.00 0.01 0.00 0.00 42.46 39.20 1cc3 s ILE 520 CO -0.20 0.55 -0.08 -0.89 0.00 0.00 0.00 174.94 174.32 1cc3 s THR 521 N -1.03 2.06 -0.25 2.92 2.01 -1.26 -1.78 115.64 118.30 1cc3 s THR 521 Ca 0.17 -1.65 -0.15 0.00 0.31 0.00 0.00 61.69 60.36 1cc3 s THR 521 Cb -0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1cc3 s THR 521 CO 0.06 -0.12 0.39 -0.69 -0.69 0.00 0.00 174.62 173.58 1cc3 s VAL 522 N 1.13 5.17 -0.28 3.82 1.01 -0.23 -4.99 120.40 126.03 1cc3 s VAL 522 Ca -0.06 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 1cc3 s VAL 522 Cb -0.20 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1cc3 s VAL 522 CO -0.06 0.17 1.68 -0.62 0.00 0.00 0.00 175.10 176.28 1cc3 s ASP 523 N 1.47 6.16 0.00 3.32 -1.08 -1.26 -0.89 116.67 124.39 1cc3 s ASP 523 Ca 0.17 1.42 0.06 0.00 -0.52 0.00 0.00 52.55 53.68 1cc3 s ASP 523 Cb -0.15 -2.53 0.37 0.00 -1.46 0.00 0.00 42.92 39.15 1cc3 s ASP 523 CO 0.09 -1.47 0.81 2.29 0.52 0.00 0.00 175.17 177.40 1cc3 n LYS 524 N 8.04 0.45 0.00 4.34 2.85 0.18 0.07 118.16 134.09 1cc3 n LYS 524 Ca 0.20 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.60 1cc3 n LYS 524 Cb 0.46 -1.22 0.47 0.00 -0.65 0.00 0.00 35.03 34.09 1cc3 n LYS 524 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1cc3 n SER 525 N -0.72 0.56 -4.70 -5.58 3.41 -1.26 -4.80 113.62 100.52 1cc3 n SER 525 Ca 0.05 -0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 57.80 1cc3 n SER 525 Cb 0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 1cc3 n SER 525 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cc3 h LYS 527 N 6.99 0.36 -4.56 0.00 1.79 -1.87 -3.42 116.57 115.86 1cc3 h LYS 527 Ca -0.35 -0.39 -0.23 0.00 -2.18 0.00 0.00 60.65 57.50 1cc3 h LYS 527 Cb 1.18 0.11 -0.15 0.00 -1.58 0.00 0.00 32.23 31.79 1cc3 h LYS 527 CO 0.80 1.07 -0.64 -0.65 -1.08 0.00 0.00 179.45 178.96 1cc3 s GLN 528 N -3.25 1.04 -0.01 3.15 -0.21 -1.26 -1.57 119.66 117.55 1cc3 s GLN 528 Ca -0.05 -1.51 0.02 0.00 0.02 0.00 0.00 55.36 53.83 1cc3 s GLN 528 Cb 0.09 0.11 0.00 0.00 1.00 0.00 0.00 33.01 34.22 1cc3 s GLN 528 CO 0.86 -0.26 -0.05 0.12 -2.12 0.00 0.00 175.29 173.84 1cc3 s PHE 529 N -3.97 0.52 -0.10 0.91 5.36 0.35 -4.83 117.98 116.22 1cc3 s PHE 529 Ca 0.28 -0.10 0.04 0.00 -0.96 0.00 0.00 56.93 56.18 1cc3 s PHE 529 Cb 0.07 -0.37 -0.00 0.00 -0.34 0.00 0.00 43.02 42.38 1cc3 s PHE 529 CO 0.05 -0.03 -0.23 0.99 -1.46 0.00 0.00 175.22 174.54 1cc3 s THR 530 N 0.04 2.18 -0.21 0.12 2.01 -0.54 -0.84 115.64 118.41 1cc3 s THR 530 Ca -0.00 -0.98 -0.06 0.00 0.31 0.00 0.00 61.69 60.96 1cc3 s THR 530 Cb -0.04 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 1cc3 s THR 530 CO -0.00 0.56 0.03 -0.69 -0.69 0.00 0.00 174.62 173.83 1cc3 s VAL 531 N 0.30 4.21 -0.54 3.82 1.01 0.15 -1.03 120.40 128.32 1cc3 s VAL 531 Ca -0.17 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 1cc3 s VAL 531 Cb -0.17 -2.92 0.14 0.00 0.00 0.00 0.00 36.38 33.42 1cc3 s VAL 531 CO 0.08 0.41 0.41 0.20 0.00 0.00 0.00 175.10 176.20 1cc3 s ASN 532 N 1.07 5.77 0.07 3.32 0.01 -0.12 -0.84 114.94 124.22 1cc3 s ASN 532 Ca 0.03 -2.15 -0.20 0.00 -0.71 0.00 0.00 52.86 49.83 1cc3 s ASN 532 Cb -0.14 -2.02 -0.07 0.00 0.41 0.00 0.00 41.25 39.43 1cc3 s ASN 532 CO 0.02 -0.64 0.59 -0.22 -1.51 0.00 0.00 177.10 175.35 1cc3 s LEU 533 N 1.01 4.52 0.17 0.60 2.96 0.43 -1.20 118.68 127.17 1cc3 s LEU 533 Ca 0.09 1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 55.20 1cc3 s LEU 533 Cb -0.23 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 1cc3 s LEU 533 CO -0.02 0.24 0.26 -0.94 -1.32 0.00 0.00 176.35 174.58 1cc3 s SER 534 N -0.98 0.07 -0.46 3.68 1.04 -0.56 -1.32 113.70 115.17 1cc3 s SER 534 Ca 0.30 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 55.83 1cc3 s SER 534 Cb -0.20 0.43 0.16 0.00 0.10 0.00 0.00 66.02 66.51 1cc3 s SER 534 CO 0.19 -0.89 0.32 -2.28 0.98 0.00 0.00 173.24 171.56 1cc3 s HIS 535 N -3.99 1.68 1.22 5.02 2.46 -1.19 -0.78 115.29 119.72 1cc3 s HIS 535 Ca 0.19 -2.40 -0.17 0.00 0.47 0.00 0.00 55.06 53.15 1cc3 s HIS 535 Cb 0.04 -1.48 0.26 0.00 -0.13 0.00 0.00 32.58 31.27 1cc3 s HIS 535 CO 0.01 -0.77 0.64 -2.30 -2.47 0.00 0.00 174.74 169.85 1cc3 n PRO 536 N 3.10 -2.85 0.00 2.88 -0.02 -1.24 -1.91 135.00 134.96 1cc3 n PRO 536 Ca 0.19 -0.82 0.00 0.00 -2.02 0.00 0.00 63.50 60.85 1cc3 n PRO 536 Cb 0.40 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1cc3 n PRO 536 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cc3 n GLY 537 N 1.65 -1.81 0.00 -1.23 0.00 -1.26 -3.91 105.19 98.63 1cc3 n GLY 537 Ca 0.04 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1cc3 n GLY 537 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cc3 n ASN 538 N 0.28 0.79 -4.69 1.61 0.23 -1.26 -4.61 115.26 107.62 1cc3 n ASN 538 Ca 0.00 -1.41 -0.41 0.00 -0.53 0.00 0.00 54.58 52.23 1cc3 n ASN 538 Cb 0.00 -0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 1cc3 n ASN 538 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1cc3 s LEU 539 N -0.41 4.24 0.85 -4.53 1.43 -1.26 -4.79 118.68 114.21 1cc3 s LEU 539 Ca 0.00 1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 54.29 1cc3 s LEU 539 Cb 0.00 -3.31 0.10 0.00 0.03 0.00 0.00 46.19 43.01 1cc3 s LEU 539 CO 0.00 -0.34 1.09 -2.16 0.23 0.00 0.00 176.35 175.18 1cc3 s PRO 540 N 1.73 1.64 0.62 1.29 0.04 -1.26 -0.85 135.00 138.21 1cc3 s PRO 540 Ca 0.42 0.76 0.40 0.00 0.04 0.00 0.00 61.00 62.61 1cc3 s PRO 540 Cb -0.18 -1.86 1.96 0.00 0.04 0.00 0.00 34.50 34.46 1cc3 s PRO 540 CO 0.16 -1.96 2.20 1.57 0.04 0.00 0.00 177.00 179.01 1cc3 h LYS 541 N -1.34 0.00 -0.00 4.56 2.10 -1.81 0.06 116.57 120.14 1cc3 h LYS 541 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1cc3 h LYS 541 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1cc3 h LYS 541 CO 0.56 0.00 -0.03 0.27 -2.00 0.00 0.00 179.45 178.25 1cc3 n ASN 542 N -3.09 0.13 -0.01 7.07 6.94 -1.26 -1.69 115.26 123.35 1cc3 n ASN 542 Ca -0.01 -0.36 -0.01 0.00 -0.02 0.00 0.00 54.58 54.18 1cc3 n ASN 542 Cb 0.18 -0.19 -0.02 0.00 -2.36 0.00 0.00 39.78 37.38 1cc3 n ASN 542 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1cc3 n VAL 543 N -1.16 0.19 -2.91 3.53 0.24 -0.52 -4.88 118.33 112.83 1cc3 n VAL 543 Ca 0.15 -0.12 -0.12 0.00 -2.04 0.00 0.00 64.34 62.21 1cc3 n VAL 543 Cb 0.24 -0.84 0.04 0.00 -1.47 0.00 0.00 33.84 31.81 1cc3 n VAL 543 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1cc3 n MET 544 N -2.08 1.02 -3.01 7.34 0.00 -0.11 -4.77 117.12 115.52 1cc3 n MET 544 Ca -0.05 -2.60 -0.39 0.00 -0.00 0.00 0.00 57.70 54.66 1cc3 n MET 544 Cb 0.56 -1.24 -0.06 0.00 0.00 0.00 0.00 33.22 32.48 1cc3 n MET 544 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1cc3 s GLY 545 N -1.86 2.88 0.16 -5.12 0.00 -0.68 -4.51 107.32 98.19 1cc3 s GLY 545 Ca 0.30 0.32 0.08 0.00 0.00 0.00 0.00 44.72 45.42 1cc3 s GLY 545 CO -0.06 0.87 -0.18 0.30 0.00 0.00 0.00 173.10 174.04 1cc3 s HIS 546 N -0.95 1.79 0.24 1.90 3.76 -0.40 -4.68 115.29 116.95 1cc3 s HIS 546 Ca 0.36 -0.48 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1cc3 s HIS 546 Cb -0.22 -0.89 -0.01 0.00 1.11 0.00 0.00 32.58 32.56 1cc3 s HIS 546 CO 0.25 0.32 0.10 0.27 -0.85 0.00 0.00 174.74 174.84 1cc3 n ASN 547 N 0.27 0.88 -3.92 1.40 0.23 -1.26 -0.24 115.26 112.62 1cc3 n ASN 547 Ca -0.13 -2.33 -0.26 0.00 -0.53 0.00 0.00 54.58 51.33 1cc3 n ASN 547 Cb 0.57 0.69 -0.17 0.00 -2.08 0.00 0.00 39.78 38.79 1cc3 n ASN 547 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 1cc3 s TRP 548 N -2.53 1.47 -0.05 -2.53 -0.00 -1.26 -3.80 118.94 110.23 1cc3 s TRP 548 Ca 0.14 -0.71 0.03 0.00 -0.00 0.00 0.00 56.10 55.56 1cc3 s TRP 548 Cb 0.01 -1.21 0.01 0.00 -0.00 0.00 0.00 33.47 32.28 1cc3 s TRP 548 CO 0.10 -0.48 -0.12 0.08 -0.00 0.00 0.00 176.95 176.53 1cc3 s VAL 549 N 1.58 1.08 -0.13 5.86 1.01 0.37 -0.97 120.40 129.20 1cc3 s VAL 549 Ca 0.02 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1cc3 s VAL 549 Cb -0.13 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 1cc3 s VAL 549 CO -0.07 0.33 -0.18 -0.22 0.00 0.00 0.00 175.10 174.97 1cc3 s LEU 550 N 0.46 2.40 0.24 3.92 0.20 0.75 -0.58 118.68 126.07 1cc3 s LEU 550 Ca -0.10 -0.47 -0.09 0.00 0.69 0.00 0.00 54.13 54.17 1cc3 s LEU 550 Cb -0.13 -1.52 -0.01 0.00 -0.43 0.00 0.00 46.19 44.09 1cc3 s LEU 550 CO 0.03 0.13 0.39 -0.94 -0.29 0.00 0.00 176.35 175.67 1cc3 s SER 551 N 0.52 0.04 0.66 3.68 1.04 -0.45 0.78 113.70 119.97 1cc3 s SER 551 Ca -0.11 -1.09 -0.16 0.00 0.48 0.00 0.00 55.95 55.07 1cc3 s SER 551 Cb -0.16 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1cc3 s SER 551 CO 0.04 -1.07 1.14 0.42 0.98 0.00 0.00 173.24 174.75 1cc3 s THR 552 N -3.99 2.96 0.31 2.02 -4.23 -1.26 -1.16 115.64 110.29 1cc3 s THR 552 Ca 0.27 0.48 0.02 0.00 -1.18 0.00 0.00 61.69 61.28 1cc3 s THR 552 Cb 0.01 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 71.12 1cc3 s THR 552 CO 0.11 -0.25 1.90 0.00 -0.54 0.00 0.00 174.62 175.84 1cc3 h ALA 553 N 0.11 1.56 -0.18 3.99 0.00 -0.53 -1.69 119.26 122.52 1cc3 h ALA 553 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1cc3 h ALA 553 Cb 1.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1cc3 h ALA 553 CO 0.53 0.28 -0.18 0.00 0.00 0.00 0.00 179.25 179.89 1cc3 h ALA 554 N 1.53 1.37 0.00 0.00 0.00 -1.93 -3.08 119.26 117.15 1cc3 h ALA 554 Ca 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1cc3 h ALA 554 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1cc3 h ALA 554 CO -0.16 0.43 -0.39 -0.44 0.00 0.00 0.00 179.25 178.69 1cc3 h ASP 555 N 0.28 0.00 0.43 0.00 3.32 -1.69 -3.41 116.42 115.35 1cc3 h ASP 555 Ca 0.05 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1cc3 h ASP 555 Cb 0.48 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1cc3 h ASP 555 CO 0.03 0.05 -0.46 -0.03 -1.72 0.00 0.00 179.24 177.11 1cc3 h MET 556 N 0.00 -0.87 -0.69 3.56 4.05 -1.34 -0.05 114.93 119.58 1cc3 h MET 556 Ca 0.00 0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1cc3 h MET 556 Cb 0.79 0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.75 1cc3 h MET 556 CO 0.00 -0.58 0.46 1.96 0.23 0.00 0.00 176.91 178.97 1cc3 h GLN 557 N -0.91 0.84 -0.58 0.39 4.20 -1.80 -1.30 115.11 115.96 1cc3 h GLN 557 Ca -0.04 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 1cc3 h GLN 557 Cb 0.81 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1cc3 h GLN 557 CO -0.08 0.56 0.00 0.78 -0.67 0.00 0.00 178.83 179.42 1cc3 h GLY 558 N 0.87 1.07 0.99 3.46 0.00 -1.70 0.33 103.07 108.09 1cc3 h GLY 558 Ca 0.27 -0.77 0.01 0.00 0.00 0.00 0.00 47.33 46.84 1cc3 h GLY 558 CO -0.07 0.71 0.39 -2.08 0.00 0.00 0.00 176.54 175.49 1cc3 h VAL 559 N 0.91 1.14 -0.08 4.60 2.07 -0.45 -0.42 116.25 124.03 1cc3 h VAL 559 Ca 0.17 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1cc3 h VAL 559 Cb 0.53 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1cc3 h VAL 559 CO 0.03 0.14 -0.07 0.58 0.02 0.00 0.00 177.57 178.27 1cc3 h VAL 560 N 0.79 1.36 -0.31 2.57 2.07 -0.82 0.23 116.25 122.14 1cc3 h VAL 560 Ca 0.22 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.58 1cc3 h VAL 560 Cb -0.08 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1cc3 h VAL 560 CO -0.05 0.34 -0.02 0.74 0.02 0.00 0.00 177.57 178.60 1cc3 h THR 561 N -0.24 0.75 0.00 2.57 2.02 -0.28 0.11 112.91 117.84 1cc3 h THR 561 Ca 0.01 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1cc3 h THR 561 Cb 0.58 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1cc3 h THR 561 CO 0.02 0.01 -0.27 0.44 0.37 0.00 0.00 175.52 176.09 1cc3 h ASP 562 N 0.07 0.00 0.36 4.18 3.32 -1.06 -2.85 116.42 120.44 1cc3 h ASP 562 Ca 0.15 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 1cc3 h ASP 562 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1cc3 h ASP 562 CO -0.27 0.27 -0.61 1.23 -1.72 0.00 0.00 179.24 178.13 1cc3 h GLY 563 N 2.13 0.27 0.73 2.75 0.00 -0.20 -3.16 103.07 105.59 1cc3 h GLY 563 Ca -0.00 -0.34 0.07 0.00 0.00 0.00 0.00 47.33 47.05 1cc3 h GLY 563 CO 0.03 0.31 0.63 -0.33 0.00 0.00 0.00 176.54 177.18 1cc3 h MET 564 N 0.18 1.11 -0.52 4.80 2.86 -0.55 -1.42 114.93 121.39 1cc3 h MET 564 Ca -0.01 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 1cc3 h MET 564 Cb 1.12 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1cc3 h MET 564 CO 0.10 0.73 -0.00 0.00 1.06 0.00 0.00 176.91 178.79 1cc3 h ALA 565 N 1.45 1.02 0.00 6.32 0.00 -1.60 -1.22 119.26 125.22 1cc3 h ALA 565 Ca 0.42 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1cc3 h ALA 565 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1cc3 h ALA 565 CO -0.18 0.61 -0.51 0.77 0.00 0.00 0.00 179.25 179.94 1cc3 h SER 566 N 0.81 0.00 0.00 0.00 0.02 -1.40 -3.48 113.55 109.50 1cc3 h SER 566 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1cc3 h SER 566 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1cc3 h SER 566 CO 0.02 0.51 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 1cc3 n GLY 567 N -0.06 0.20 0.27 -3.77 0.00 -0.46 -4.06 105.19 97.31 1cc3 n GLY 567 Ca -0.01 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 1cc3 n GLY 567 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cc3 h LEU 568 N 0.00 -0.76 -2.10 0.99 5.85 -1.90 0.18 115.31 117.58 1cc3 h LEU 568 Ca 0.00 0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1cc3 h LEU 568 Cb 0.00 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1cc3 h LEU 568 CO 0.00 -0.27 0.31 0.44 -0.34 0.00 0.00 178.44 178.58 1cc3 h ASP 569 N -0.24 0.00 -0.27 1.25 3.32 -2.01 -1.25 116.42 117.23 1cc3 h ASP 569 Ca 0.14 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1cc3 h ASP 569 Cb 0.45 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1cc3 h ASP 569 CO -0.39 0.00 -0.00 0.29 -1.72 0.00 0.00 179.24 177.41 1cc3 n LYS 570 N -3.84 2.69 -2.62 3.56 4.76 -0.50 -4.93 118.16 117.26 1cc3 n LYS 570 Ca 0.05 -2.89 -0.14 0.00 -2.87 0.00 0.00 58.31 52.46 1cc3 n LYS 570 Cb 0.47 -1.83 -0.00 0.00 -1.84 0.00 0.00 35.03 31.82 1cc3 n LYS 570 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1cc3 n ASP 571 N -0.65 -3.94 -2.16 4.39 8.00 -0.47 -1.91 116.55 119.81 1cc3 n ASP 571 Ca 0.23 0.08 -0.19 0.00 0.71 0.00 0.00 54.79 55.63 1cc3 n ASP 571 Cb 0.91 -3.32 -0.01 0.00 -0.02 0.00 0.00 41.12 38.68 1cc3 n ASP 571 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1cc3 n TYR 572 N -3.52 -0.95 -5.16 1.24 4.01 0.53 -4.31 117.16 109.00 1cc3 n TYR 572 Ca -0.12 0.04 -0.31 0.00 -0.16 0.00 0.00 57.90 57.35 1cc3 n TYR 572 Cb 0.60 -3.68 -0.17 0.00 -0.31 0.00 0.00 39.34 35.78 1cc3 n TYR 572 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1cc3 s LEU 573 N -5.38 2.03 0.00 7.72 1.43 -0.80 -3.90 118.68 119.79 1cc3 s LEU 573 Ca 0.02 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.32 1cc3 s LEU 573 Cb -0.01 -1.31 -0.07 0.00 0.03 0.00 0.00 46.19 44.83 1cc3 s LEU 573 CO 0.03 0.19 1.69 -0.75 0.23 0.00 0.00 176.35 177.74 1cc3 s LYS 574 N 0.10 4.18 0.36 1.70 2.20 -1.26 -4.82 119.74 122.20 1cc3 s LYS 574 Ca -0.10 2.30 -0.27 0.00 -0.36 0.00 0.00 55.97 57.53 1cc3 s LYS 574 Cb -0.15 -3.87 -0.12 0.00 -1.51 0.00 0.00 37.83 32.18 1cc3 s LYS 574 CO 0.06 -0.82 1.23 -2.30 -0.36 0.00 0.00 175.35 173.16 1cc3 n PRO 575 N 6.62 1.95 -2.30 4.03 -0.02 -1.26 -1.68 135.00 142.34 1cc3 n PRO 575 Ca 0.17 0.69 -0.15 0.00 -2.02 0.00 0.00 63.50 62.19 1cc3 n PRO 575 Cb 0.42 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1cc3 n PRO 575 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1cc3 n ASP 576 N 0.70 -4.42 -4.62 2.55 8.00 -1.26 -4.86 116.55 112.65 1cc3 n ASP 576 Ca 0.06 0.16 -0.43 0.00 0.71 0.00 0.00 54.79 55.29 1cc3 n ASP 576 Cb 0.36 -3.76 -0.03 0.00 -0.02 0.00 0.00 41.12 37.67 1cc3 n ASP 576 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1cc3 n ASP 577 N -1.71 3.60 0.18 -2.24 -0.08 -0.68 -4.79 116.55 110.83 1cc3 n ASP 577 Ca -0.17 0.50 0.13 0.00 -1.51 0.00 0.00 54.79 53.74 1cc3 n ASP 577 Cb 0.61 -1.53 0.64 0.00 2.34 0.00 0.00 41.12 43.19 1cc3 n ASP 577 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1cc3 h SER 578 N 13.11 0.00 1.06 1.67 4.64 -1.90 -0.58 113.55 131.56 1cc3 h SER 578 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1cc3 h SER 578 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1cc3 h SER 578 CO 0.95 0.00 -0.83 0.03 -0.87 0.00 0.00 176.83 176.12 1cc3 h ARG 579 N 0.00 0.00 -6.55 4.77 3.08 -1.97 -3.44 114.38 110.27 1cc3 h ARG 579 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1cc3 h ARG 579 Cb 0.08 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 1cc3 h ARG 579 CO 0.00 0.00 1.03 0.08 -1.07 0.00 0.00 179.97 180.01 1cc3 s VAL 580 N -3.31 3.99 0.19 2.04 1.01 -0.23 -4.47 120.40 119.63 1cc3 s VAL 580 Ca 0.02 1.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.97 1cc3 s VAL 580 Cb 0.10 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1cc3 s VAL 580 CO 0.76 -0.78 1.57 0.40 0.00 0.00 0.00 175.10 177.05 1cc3 h ILE 581 N 6.36 1.28 -1.86 2.22 2.04 0.06 -3.46 117.51 124.14 1cc3 h ILE 581 Ca -0.26 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 1cc3 h ILE 581 Cb 1.09 1.37 -0.22 0.00 -0.74 0.00 0.00 36.82 38.33 1cc3 h ILE 581 CO 1.09 0.49 0.26 0.00 0.00 0.00 0.00 178.15 179.99 1cc3 s ALA 582 N -4.42 -1.84 0.01 1.87 0.00 -1.20 -4.99 121.76 111.18 1cc3 s ALA 582 Ca -0.09 1.77 -0.17 0.00 0.00 0.00 0.00 51.96 53.47 1cc3 s ALA 582 Cb 0.12 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.38 1cc3 s ALA 582 CO 0.85 -0.32 0.37 -3.38 0.00 0.00 0.00 175.76 173.28 1cc3 s HIS 583 N -0.21 -0.24 0.57 0.00 -3.43 -1.26 -0.18 115.29 110.54 1cc3 s HIS 583 Ca -0.02 0.30 -0.01 0.00 -0.80 0.00 0.00 55.06 54.52 1cc3 s HIS 583 Cb -0.03 0.16 0.03 0.00 -1.43 0.00 0.00 32.58 31.31 1cc3 s HIS 583 CO 0.02 -0.48 0.82 0.95 -2.00 0.00 0.00 174.74 174.05 1cc3 s THR 584 N -1.79 2.92 0.84 -5.38 -4.23 -0.14 -4.88 115.64 102.98 1cc3 s THR 584 Ca -0.10 -0.48 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 1cc3 s THR 584 Cb -0.03 -3.13 0.10 0.00 1.34 0.00 0.00 72.50 70.78 1cc3 s THR 584 CO 0.02 -0.11 1.10 -0.54 -0.54 0.00 0.00 174.62 174.55 1cc3 s LYS 585 N -4.85 1.71 0.24 3.99 1.02 -1.26 -4.53 119.74 116.07 1cc3 s LYS 585 Ca 0.56 1.18 -0.30 0.00 0.02 0.00 0.00 55.97 57.43 1cc3 s LYS 585 Cb -0.10 -1.83 -0.09 0.00 -0.52 0.00 0.00 37.83 35.28 1cc3 s LYS 585 CO 0.40 -2.03 1.30 -1.17 -0.92 0.00 0.00 175.35 172.93 1cc3 s LEU 586 N -6.17 4.43 -0.02 3.17 2.96 -1.26 -4.58 118.68 117.22 1cc3 s LEU 586 Ca 0.63 2.48 0.04 0.00 -0.22 0.00 0.00 54.13 57.07 1cc3 s LEU 586 Cb -0.19 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.87 1cc3 s LEU 586 CO 0.57 -0.51 -0.15 0.27 -1.32 0.00 0.00 176.35 175.21 1cc3 s ILE 587 N -0.34 1.18 0.59 6.68 -4.36 0.66 -4.95 121.20 120.66 1cc3 s ILE 587 Ca 0.54 -0.63 0.10 0.00 -0.26 0.00 0.00 60.65 60.40 1cc3 s ILE 587 Cb -0.37 -0.99 0.09 0.00 1.25 0.00 0.00 42.46 42.45 1cc3 s ILE 587 CO 0.43 0.34 0.82 -0.83 0.24 0.00 0.00 174.94 175.93 1cc3 s GLY 588 N -0.28 1.71 0.32 6.27 0.00 -1.26 -1.27 107.32 112.80 1cc3 s GLY 588 Ca 0.04 -2.19 -0.29 0.00 0.00 0.00 0.00 44.72 42.28 1cc3 s GLY 588 CO -0.00 -1.70 1.44 -1.14 0.00 0.00 0.00 173.10 171.69 1cc3 n SER 589 N -2.29 3.29 0.00 1.64 3.41 -0.03 -2.13 113.62 117.52 1cc3 n SER 589 Ca 0.16 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.96 1cc3 n SER 589 Cb 0.62 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 1cc3 n SER 589 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cc3 n GLY 590 N 1.32 0.76 3.64 5.00 0.00 -0.80 -4.92 105.19 110.18 1cc3 n GLY 590 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1cc3 n GLY 590 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cc3 s GLU 591 N -0.49 2.30 0.11 1.61 2.02 -0.90 -5.00 118.70 118.34 1cc3 s GLU 591 Ca 0.00 -1.17 -0.18 0.00 0.02 0.00 0.00 54.97 53.64 1cc3 s GLU 591 Cb 0.00 -2.29 0.04 0.00 0.10 0.00 0.00 34.13 31.98 1cc3 s GLU 591 CO 0.00 0.44 0.45 -1.59 0.02 0.00 0.00 175.26 174.58 1cc3 s LYS 592 N -2.95 1.08 -0.20 1.61 -2.85 -1.26 -3.14 119.74 112.03 1cc3 s LYS 592 Ca 0.27 -0.58 -0.27 0.00 -1.00 0.00 0.00 55.97 54.39 1cc3 s LYS 592 Cb -0.09 0.48 0.09 0.00 -2.06 0.00 0.00 37.83 36.25 1cc3 s LYS 592 CO 0.18 -0.42 0.81 0.34 0.10 0.00 0.00 175.35 176.35 1cc3 s ASP 593 N -2.61 -0.62 0.06 0.03 2.15 -0.44 -5.02 116.67 110.23 1cc3 s ASP 593 Ca 0.01 1.02 0.07 0.00 0.43 0.00 0.00 52.55 54.08 1cc3 s ASP 593 Cb 0.01 0.97 -0.03 0.00 -0.30 0.00 0.00 42.92 43.57 1cc3 s ASP 593 CO -0.10 -0.33 -0.19 -0.44 -0.17 0.00 0.00 175.17 173.93 1cc3 s SER 594 N -0.23 2.33 -0.01 -0.34 0.01 -1.26 -0.42 113.70 113.77 1cc3 s SER 594 Ca -0.02 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 56.70 1cc3 s SER 594 Cb -0.03 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 1cc3 s SER 594 CO 0.02 0.09 -0.11 0.54 0.41 0.00 0.00 173.24 174.19 1cc3 s VAL 595 N -0.95 0.90 -0.07 3.43 0.11 -0.02 -4.96 120.40 118.83 1cc3 s VAL 595 Ca 0.06 -0.48 0.03 0.00 -2.93 0.00 0.00 61.98 58.66 1cc3 s VAL 595 Cb -0.09 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 1cc3 s VAL 595 CO 0.03 0.25 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.98 1cc3 s THR 596 N -0.26 2.72 0.03 5.04 2.01 -1.26 0.32 115.64 124.25 1cc3 s THR 596 Ca 0.04 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 1cc3 s THR 596 Cb -0.04 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1cc3 s THR 596 CO -0.00 0.57 0.03 0.72 -0.69 0.00 0.00 174.62 175.24 1cc3 s PHE 597 N -0.25 0.29 -0.01 4.92 -0.71 -0.02 -4.95 117.98 117.26 1cc3 s PHE 597 Ca 0.00 -0.64 -0.30 0.00 -1.04 0.00 0.00 56.93 54.95 1cc3 s PHE 597 Cb -0.13 -0.22 -0.06 0.00 -1.21 0.00 0.00 43.02 41.41 1cc3 s PHE 597 CO 0.03 -0.31 1.44 -0.51 -1.34 0.00 0.00 175.22 174.53 1cc3 s ASP 598 N -2.09 6.81 0.59 1.98 1.01 -1.26 -0.50 116.67 123.21 1cc3 s ASP 598 Ca -0.06 2.14 0.39 0.00 0.71 0.00 0.00 52.55 55.74 1cc3 s ASP 598 Cb -0.02 -2.56 2.04 0.00 1.01 0.00 0.00 42.92 43.39 1cc3 s ASP 598 CO -0.05 -0.76 2.20 0.58 0.21 0.00 0.00 175.17 177.35 1cc3 h VAL 599 N 5.00 0.00 0.00 -1.27 2.07 -1.55 -0.64 116.25 119.85 1cc3 h VAL 599 Ca -0.38 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1cc3 h VAL 599 Cb 1.18 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1cc3 h VAL 599 CO 0.91 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.96 1cc3 n SER 600 N -2.96 0.00 0.23 0.57 3.41 -1.26 -1.12 113.62 112.49 1cc3 n SER 600 Ca -0.02 0.39 0.13 0.00 -0.26 0.00 0.00 58.87 59.11 1cc3 n SER 600 Cb 0.12 -0.44 0.37 0.00 -0.26 0.00 0.00 64.21 64.00 1cc3 n SER 600 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1cc3 h LYS 601 N 0.00 0.00 -6.10 4.33 1.57 -1.50 -3.46 116.57 111.41 1cc3 h LYS 601 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1cc3 h LYS 601 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1cc3 h LYS 601 CO 0.00 0.07 -0.43 -0.51 -0.57 0.00 0.00 179.45 178.02 1cc3 s LEU 602 N -6.29 4.30 0.23 2.94 1.43 -0.28 -5.12 118.68 115.89 1cc3 s LEU 602 Ca 0.04 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1cc3 s LEU 602 Cb 0.07 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 1cc3 s LEU 602 CO 0.63 0.02 0.07 -1.59 0.23 0.00 0.00 176.35 175.71 1cc3 s LYS 603 N -3.28 1.31 0.50 1.70 -2.85 -1.26 -5.02 119.74 110.84 1cc3 s LYS 603 Ca 0.36 -1.69 -0.16 0.00 -1.00 0.00 0.00 55.97 53.48 1cc3 s LYS 603 Cb -0.11 -0.25 -0.08 0.00 -2.06 0.00 0.00 37.83 35.33 1cc3 s LYS 603 CO 0.29 -0.25 0.96 -1.21 0.10 0.00 0.00 175.35 175.24 1cc3 s GLU 604 N -4.00 3.94 0.00 1.78 2.02 -1.26 -3.77 118.70 117.41 1cc3 s GLU 604 Ca 0.34 0.91 0.00 0.00 0.02 0.00 0.00 54.97 56.23 1cc3 s GLU 604 Cb 0.07 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1cc3 s GLU 604 CO 0.11 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1cc3 n GLY 605 N -1.51 3.01 3.81 -1.39 0.00 -1.26 -4.99 105.19 102.86 1cc3 n GLY 605 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1cc3 n GLY 605 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cc3 s GLU 606 N -0.27 4.30 -0.22 1.61 2.56 -1.25 -5.04 118.70 120.39 1cc3 s GLU 606 Ca 0.00 1.05 -0.08 0.00 0.00 0.00 0.00 54.97 55.94 1cc3 s GLU 606 Cb 0.00 -2.55 -0.04 0.00 2.00 0.00 0.00 34.13 33.54 1cc3 s GLU 606 CO 0.00 0.18 0.09 -0.65 -0.56 0.00 0.00 175.26 174.33 1cc3 s GLN 607 N -2.56 3.88 -0.07 4.30 -1.52 -1.26 -4.73 119.66 117.70 1cc3 s GLN 607 Ca 0.53 -0.38 0.00 0.00 -1.95 0.00 0.00 55.36 53.57 1cc3 s GLN 607 Cb -0.14 -3.35 -0.03 0.00 -0.22 0.00 0.00 33.01 29.27 1cc3 s GLN 607 CO 0.19 0.03 -0.06 0.71 -0.25 0.00 0.00 175.29 175.91 1cc3 s TYR 608 N 1.06 2.97 -0.08 0.91 2.02 -1.05 0.21 117.35 123.38 1cc3 s TYR 608 Ca 0.05 0.05 -0.00 0.00 -0.37 0.00 0.00 57.07 56.80 1cc3 s TYR 608 Cb -0.14 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1cc3 s TYR 608 CO 0.04 0.36 -0.06 -1.64 -1.57 0.00 0.00 175.55 172.68 1cc3 s MET 609 N -0.86 2.92 -0.00 -0.62 -1.94 -0.31 -1.32 119.30 117.17 1cc3 s MET 609 Ca 0.13 -0.53 0.03 0.00 -1.71 0.00 0.00 55.69 53.61 1cc3 s MET 609 Cb -0.11 -2.66 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 1cc3 s MET 609 CO 0.02 0.61 -0.06 -0.59 -0.01 0.00 0.00 175.02 174.99 1cc3 s PHE 610 N -0.65 2.92 0.15 -0.03 -0.12 -0.03 -1.34 117.98 118.89 1cc3 s PHE 610 Ca 0.10 -0.02 -0.23 0.00 -0.05 0.00 0.00 56.93 56.74 1cc3 s PHE 610 Cb -0.12 -1.62 0.07 0.00 -0.63 0.00 0.00 43.02 40.72 1cc3 s PHE 610 CO 0.02 0.38 0.59 -0.59 -0.05 0.00 0.00 175.22 175.57 1cc3 s PHE 611 N -1.00 -0.52 -0.09 3.49 -0.71 0.25 -0.45 117.98 118.96 1cc3 s PHE 611 Ca 0.17 0.31 -0.30 0.00 -1.04 0.00 0.00 56.93 56.08 1cc3 s PHE 611 Cb -0.11 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 1cc3 s PHE 611 CO 0.07 -0.83 1.24 0.00 -1.34 0.00 0.00 175.22 174.36 1cc3 n SER 613 N 5.69 0.58 -4.70 0.00 3.41 -1.26 -4.91 113.62 112.43 1cc3 n SER 613 Ca 0.12 -0.20 -0.42 0.00 -0.26 0.00 0.00 58.87 58.11 1cc3 n SER 613 Cb 0.46 0.91 -0.03 0.00 -0.26 0.00 0.00 64.21 65.29 1cc3 n SER 613 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1cc3 s GLU 614 N -3.23 4.38 0.15 4.33 2.56 -1.26 -4.71 118.70 120.92 1cc3 s GLU 614 Ca 0.02 1.82 -0.31 0.00 0.00 0.00 0.00 54.97 56.50 1cc3 s GLU 614 Cb 0.14 -3.42 -0.10 0.00 2.00 0.00 0.00 34.13 32.76 1cc3 s GLU 614 CO 0.82 -0.37 1.58 -0.51 -0.56 0.00 0.00 175.26 176.22 1cc3 s LEU 615 N 1.52 4.37 0.00 2.70 1.43 -1.26 -4.81 118.68 122.63 1cc3 s LEU 615 Ca 0.60 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 56.30 1cc3 s LEU 615 Cb -0.30 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.33 1cc3 s LEU 615 CO 0.27 -0.84 0.59 0.00 0.23 0.00 0.00 176.35 176.61 1cc3 n GLY 617 N 0.00 0.72 0.27 0.00 0.00 -1.26 -4.71 105.19 100.20 1cc3 n GLY 617 Ca 0.00 -2.07 0.02 0.00 0.00 0.00 0.00 46.02 43.97 1cc3 n GLY 617 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cc3 h ILE 618 N 0.00 1.16 -0.47 -0.61 2.10 -2.00 -1.20 117.51 116.49 1cc3 h ILE 618 Ca 0.00 -0.59 -0.22 0.00 1.08 0.00 0.00 64.86 65.13 1cc3 h ILE 618 Cb 0.00 0.88 -0.13 0.00 -1.09 0.00 0.00 36.82 36.48 1cc3 h ILE 618 CO 0.00 0.21 0.08 0.59 -1.08 0.00 0.00 178.15 177.95 1cc3 n ASN 619 N -4.34 3.02 -0.24 2.19 5.03 -1.26 -4.54 115.26 115.11 1cc3 n ASN 619 Ca 0.01 -3.62 0.04 0.00 0.87 0.00 0.00 54.58 51.88 1cc3 n ASN 619 Cb 0.19 -0.67 0.16 0.00 -1.02 0.00 0.00 39.78 38.45 1cc3 n ASN 619 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 1cc3 h HIS 620 N 1.20 0.44 0.00 3.10 -0.00 -1.49 -1.83 115.15 116.57 1cc3 h HIS 620 Ca 0.27 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.67 1cc3 h HIS 620 Cb 1.88 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 29.20 1cc3 h HIS 620 CO 1.07 0.06 0.00 0.00 -0.00 0.00 0.00 177.93 179.06 1cc3 n ALA 621 N -2.52 1.64 1.07 5.26 0.00 -1.26 -1.79 120.51 122.91 1cc3 n ALA 621 Ca 0.12 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1cc3 n ALA 621 Cb 0.37 -1.28 0.31 0.00 0.00 0.00 0.00 19.45 18.86 1cc3 n ALA 621 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cc3 n LEU 622 N -1.73 0.58 -3.96 0.00 4.77 -0.69 -4.60 117.00 111.37 1cc3 n LEU 622 Ca 0.03 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1cc3 n LEU 622 Cb 0.18 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1cc3 n LEU 622 CO 0.15 0.13 2.50 0.23 -1.33 0.00 0.00 177.39 179.07 1cc3 n MET 623 N -1.30 2.94 -3.79 3.23 2.81 -0.74 -4.85 117.12 115.42 1cc3 n MET 623 Ca 0.07 -2.78 -0.05 0.00 -1.81 0.00 0.00 57.70 53.13 1cc3 n MET 623 Cb 0.34 -3.35 -0.02 0.00 -0.71 0.00 0.00 33.22 29.48 1cc3 n MET 623 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1cc3 s LYS 624 N 3.48 1.43 0.05 0.03 -2.85 -1.26 -1.05 119.74 119.57 1cc3 s LYS 624 Ca 0.49 -0.78 -0.19 0.00 -1.00 0.00 0.00 55.97 54.48 1cc3 s LYS 624 Cb 0.11 0.49 0.06 0.00 -2.06 0.00 0.00 37.83 36.44 1cc3 s LYS 624 CO -0.04 -0.65 0.89 0.41 0.10 0.00 0.00 175.35 176.05 1cc3 n GLY 625 N -0.46 0.50 3.77 0.59 0.00 0.40 -4.75 105.19 105.24 1cc3 n GLY 625 Ca -0.05 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 1cc3 n GLY 625 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cc3 s THR 626 N -2.10 4.44 -0.03 2.61 -4.23 -0.14 -0.85 115.64 115.34 1cc3 s THR 626 Ca 0.20 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 1cc3 s THR 626 Cb -0.01 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.65 1cc3 s THR 626 CO 0.01 0.03 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.84 1cc3 s LEU 627 N -2.66 1.69 0.05 4.79 0.20 -0.44 0.19 118.68 122.50 1cc3 s LEU 627 Ca 0.29 -0.15 0.03 0.00 0.69 0.00 0.00 54.13 55.00 1cc3 s LEU 627 Cb -0.11 -0.46 -0.03 0.00 -0.43 0.00 0.00 46.19 45.16 1cc3 s LEU 627 CO 0.22 0.03 -0.10 -0.89 -0.29 0.00 0.00 176.35 175.31 1cc3 s THR 628 N 0.36 0.78 -0.19 3.68 2.01 -0.74 -2.54 115.64 119.00 1cc3 s THR 628 Ca -0.05 -1.14 -0.08 0.00 0.31 0.00 0.00 61.69 60.73 1cc3 s THR 628 Cb -0.09 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1cc3 s THR 628 CO 0.00 -0.29 0.08 -0.22 -0.69 0.00 0.00 174.62 173.50 1cc3 s LEU 629 N -1.58 3.93 0.00 4.42 2.96 -1.26 -1.07 118.68 126.08 1cc3 s LEU 629 Ca -0.06 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 1cc3 s LEU 629 Cb -0.10 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.59 1cc3 s LEU 629 CO 0.01 0.17 0.00 2.29 -1.32 0.00 0.00 176.35 177.51