#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwx s LEU 513 N 0.00 4.33 0.67 1.39 1.43 -1.26 -4.91 118.68 120.34 2dwx s LEU 513 Ca 0.00 0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 53.48 2dwx s LEU 513 Cb 0.00 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.95 2dwx s LEU 513 CO 0.00 0.26 1.20 -2.84 0.23 0.00 0.00 176.35 175.20 2dwx s PRO 514 N -0.35 2.50 -0.15 1.29 0.02 -1.26 -4.89 135.00 132.16 2dwx s PRO 514 Ca 0.16 1.75 -0.01 0.00 0.02 0.00 0.00 61.00 62.92 2dwx s PRO 514 Cb -0.13 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 2dwx s PRO 514 CO 0.05 -1.55 -0.11 0.08 -0.33 0.00 0.00 177.00 175.14 2dwx s VAL 515 N -1.88 3.18 -0.24 3.83 1.01 -0.83 -4.95 120.40 120.52 2dwx s VAL 515 Ca 0.75 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 2dwx s VAL 515 Cb -0.29 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2dwx s VAL 515 CO 0.41 0.50 0.82 -0.89 0.00 0.00 0.00 175.10 175.94 2dwx s THR 516 N 0.56 4.85 -0.21 3.92 2.01 -1.26 -0.89 115.64 124.62 2dwx s THR 516 Ca -0.07 1.54 -0.17 0.00 0.31 0.00 0.00 61.69 63.31 2dwx s THR 516 Cb -0.15 -4.11 -0.13 0.00 0.01 0.00 0.00 72.50 68.13 2dwx s THR 516 CO 0.03 -0.06 -0.08 0.52 -0.69 0.00 0.00 174.62 174.34 2dwx n VAL 517 N 5.22 1.51 -4.59 3.82 0.31 -0.40 -4.96 118.33 119.24 2dwx n VAL 517 Ca 0.05 -0.06 -0.22 0.00 -0.01 0.00 0.00 64.34 64.10 2dwx n VAL 517 Cb 0.48 -2.10 -0.15 0.00 -0.91 0.00 0.00 33.84 31.15 2dwx n VAL 517 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2dwx s TYR 518 N -2.44 1.25 -0.47 3.52 5.04 -1.05 -4.96 117.35 118.24 2dwx s TYR 518 Ca -0.29 -0.30 0.06 0.00 -2.44 0.00 0.00 57.07 54.11 2dwx s TYR 518 Cb 0.07 -0.84 0.22 0.00 0.35 0.00 0.00 41.96 41.76 2dwx s TYR 518 CO 0.47 -0.09 0.70 -3.47 -1.34 0.00 0.00 175.55 171.83 2dwx n ASP 519 N 3.05 -2.17 -3.98 4.32 4.64 -1.25 -1.24 116.55 119.91 2dwx n ASP 519 Ca -0.17 -2.96 -0.09 0.00 -1.38 0.00 0.00 54.79 50.19 2dwx n ASP 519 Cb 0.54 1.04 -0.11 0.00 -1.04 0.00 0.00 41.12 41.55 2dwx n ASP 519 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 2dwx s GLN 520 N 0.31 0.35 -1.98 -0.67 -0.21 -1.10 -4.90 119.66 111.46 2dwx s GLN 520 Ca 0.32 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 55.04 2dwx s GLN 520 Cb 0.13 0.13 0.00 0.00 1.00 0.00 0.00 33.01 34.27 2dwx s GLN 520 CO -0.16 -0.06 0.00 0.72 -2.12 0.00 0.00 175.29 173.67 2dwx n HIS 521 N 1.43 -0.37 -1.22 0.91 8.25 -1.26 -1.15 115.22 121.82 2dwx n HIS 521 Ca -0.23 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.16 2dwx n HIS 521 Cb 0.56 -3.57 -0.03 0.00 1.12 0.00 0.00 29.99 28.07 2dwx n HIS 521 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dwx n GLY 522 N -0.70 0.87 3.14 -1.41 0.00 -1.26 -4.47 105.19 101.36 2dwx n GLY 522 Ca -0.22 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 2dwx n GLY 522 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dwx s PHE 523 N -2.25 3.25 -0.17 1.61 5.36 -0.30 0.14 117.98 125.63 2dwx s PHE 523 Ca 0.00 -2.02 0.01 0.00 -0.96 0.00 0.00 56.93 53.96 2dwx s PHE 523 Cb 0.00 -2.04 0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2dwx s PHE 523 CO 0.00 -0.83 -0.19 0.50 -1.46 0.00 0.00 175.22 173.24 2dwx s ARG 524 N 1.20 2.84 -0.11 10.12 3.52 0.11 -2.71 118.95 133.92 2dwx s ARG 524 Ca -0.06 -0.77 -0.02 0.00 -0.13 0.00 0.00 55.73 54.74 2dwx s ARG 524 Cb -0.20 -2.44 -0.03 0.00 -1.56 0.00 0.00 34.95 30.72 2dwx s ARG 524 CO -0.03 -0.18 -0.02 0.42 -0.81 0.00 0.00 175.30 174.68 2dwx s ILE 525 N 1.25 4.11 0.06 4.11 1.01 -0.37 -1.62 121.20 129.74 2dwx s ILE 525 Ca 0.03 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.40 2dwx s ILE 525 Cb -0.13 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 2dwx s ILE 525 CO -0.11 0.56 -0.09 -0.76 0.00 0.00 0.00 174.94 174.55 2dwx s LEU 526 N -0.39 2.32 -0.24 2.97 1.02 -0.67 -1.27 118.68 122.42 2dwx s LEU 526 Ca 0.07 -0.67 -0.10 0.00 0.02 0.00 0.00 54.13 53.45 2dwx s LEU 526 Cb -0.12 -0.21 -0.05 0.00 0.02 0.00 0.00 46.19 45.83 2dwx s LEU 526 CO 0.02 -0.24 0.16 -0.36 0.02 0.00 0.00 176.35 175.95 2dwx s PHE 527 N -1.89 3.31 -0.17 0.29 2.99 -0.06 -1.98 117.98 120.46 2dwx s PHE 527 Ca -0.03 0.22 -0.07 0.00 0.00 0.00 0.00 56.93 57.04 2dwx s PHE 527 Cb -0.06 -2.26 -0.04 0.00 0.00 0.00 0.00 43.02 40.65 2dwx s PHE 527 CO -0.00 0.07 0.08 -1.01 -0.00 0.00 0.00 175.22 174.36 2dwx s HIS 528 N 1.04 3.33 0.08 0.36 3.76 -0.20 -1.97 115.29 121.69 2dwx s HIS 528 Ca 0.07 0.21 0.04 0.00 -0.15 0.00 0.00 55.06 55.24 2dwx s HIS 528 Cb -0.13 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 2dwx s HIS 528 CO 0.04 0.30 0.00 -0.06 -0.85 0.00 0.00 174.74 174.17 2dwx s PHE 529 N 0.05 3.00 0.06 1.40 0.40 -1.26 -0.24 117.98 121.39 2dwx s PHE 529 Ca 0.07 -0.01 -0.19 0.00 -0.60 0.00 0.00 56.93 56.20 2dwx s PHE 529 Cb -0.12 -1.56 0.04 0.00 0.51 0.00 0.00 43.02 41.90 2dwx s PHE 529 CO 0.00 0.48 0.45 0.00 0.70 0.00 0.00 175.22 176.85 2dwx s ALA 530 N -1.28 -1.11 0.74 5.36 0.00 0.21 -4.87 121.76 120.81 2dwx s ALA 530 Ca 0.25 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 2dwx s ALA 530 Cb -0.12 0.45 0.04 0.00 0.00 0.00 0.00 23.12 23.49 2dwx s ALA 530 CO 0.17 -0.52 1.08 -0.98 0.00 0.00 0.00 175.76 175.51 2dwx s ARG 531 N -2.77 2.51 0.60 0.00 1.70 -1.26 -1.41 118.95 118.31 2dwx s ARG 531 Ca -0.03 1.09 -0.19 0.00 -0.47 0.00 0.00 55.73 56.12 2dwx s ARG 531 Cb -0.00 -1.93 -0.03 0.00 -0.57 0.00 0.00 34.95 32.41 2dwx s ARG 531 CO -0.04 -1.44 1.27 0.16 -1.08 0.00 0.00 175.30 174.16 2dwx s ASP 532 N -3.53 5.05 0.50 -2.89 -4.77 -1.06 -4.39 116.67 105.58 2dwx s ASP 532 Ca 0.60 2.54 0.26 0.00 -3.30 0.00 0.00 52.55 52.65 2dwx s ASP 532 Cb -0.16 -2.61 1.34 0.00 -1.09 0.00 0.00 42.92 40.40 2dwx s ASP 532 CO 0.56 -1.70 1.90 -0.65 0.70 0.00 0.00 175.17 175.97 2dwx h PRO 533 N 0.94 0.13 -5.55 2.11 0.11 -1.93 -3.41 132.00 124.40 2dwx h PRO 533 Ca -0.51 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 64.99 2dwx h PRO 533 Cb 1.31 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.28 2dwx h PRO 533 CO 0.55 0.08 0.09 -0.51 -0.21 0.00 0.00 178.00 178.00 2dwx s LEU 534 N -8.86 4.11 0.39 2.35 1.02 -1.26 -5.04 118.68 111.39 2dwx s LEU 534 Ca -0.06 0.73 -0.25 0.00 0.02 0.00 0.00 54.13 54.56 2dwx s LEU 534 Cb 0.21 -2.82 -0.09 0.00 0.02 0.00 0.00 46.19 43.52 2dwx s LEU 534 CO 0.77 -0.29 1.14 -2.16 0.02 0.00 0.00 176.35 175.83 2dwx s PRO 535 N 2.11 4.12 -1.14 1.29 0.04 -1.26 -2.46 135.00 137.69 2dwx s PRO 535 Ca 0.26 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2dwx s PRO 535 Cb -0.16 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2dwx s PRO 535 CO 0.09 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2dwx n GLY 536 N 0.62 1.07 3.08 0.56 0.00 -1.26 -5.04 105.19 104.22 2dwx n GLY 536 Ca 0.04 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 2dwx n GLY 536 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dwx s ARG 537 N -3.14 0.59 -0.34 1.61 3.52 -1.03 -5.07 118.95 115.08 2dwx s ARG 537 Ca 0.00 -0.86 0.15 0.00 -0.13 0.00 0.00 55.73 54.90 2dwx s ARG 537 Cb 0.00 -0.30 0.42 0.00 -1.56 0.00 0.00 34.95 33.51 2dwx s ARG 537 CO 0.00 0.05 0.93 -1.13 -0.81 0.00 0.00 175.30 174.34 2dwx n SER 538 N 1.22 0.90 -0.00 -2.12 3.41 -1.26 -3.81 113.62 111.96 2dwx n SER 538 Ca -0.21 -2.80 0.03 0.00 -0.26 0.00 0.00 58.87 55.63 2dwx n SER 538 Cb 0.56 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 2dwx n SER 538 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dwx n ASP 539 N -0.00 2.48 -4.36 4.04 8.00 -1.26 -4.69 116.55 120.77 2dwx n ASP 539 Ca 0.12 -0.23 -0.30 0.00 0.71 0.00 0.00 54.79 55.09 2dwx n ASP 539 Cb 0.78 1.15 -0.15 0.00 -0.02 0.00 0.00 41.12 42.89 2dwx n ASP 539 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2dwx s VAL 540 N -2.05 2.23 -0.17 2.53 1.01 -1.26 -0.24 120.40 122.46 2dwx s VAL 540 Ca -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.69 2dwx s VAL 540 Cb 0.04 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2dwx s VAL 540 CO 0.22 0.41 -0.15 -0.22 0.00 0.00 0.00 175.10 175.36 2dwx s LEU 541 N -1.12 2.44 -0.20 3.92 2.96 -0.53 -2.55 118.68 123.60 2dwx s LEU 541 Ca 0.12 -0.50 -0.26 0.00 -0.22 0.00 0.00 54.13 53.27 2dwx s LEU 541 Cb -0.10 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 2dwx s LEU 541 CO 0.02 0.06 0.89 -0.69 -1.32 0.00 0.00 176.35 175.30 2dwx s VAL 542 N 0.97 4.82 -0.11 1.68 1.01 -0.50 -2.18 120.40 126.08 2dwx s VAL 542 Ca -0.02 1.72 0.03 0.00 0.00 0.00 0.00 61.98 63.70 2dwx s VAL 542 Cb -0.15 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.06 2dwx s VAL 542 CO -0.03 -0.05 -0.20 -0.69 0.00 0.00 0.00 175.10 174.13 2dwx s VAL 543 N 2.60 1.82 -0.27 2.92 1.01 0.22 -0.62 120.40 128.08 2dwx s VAL 543 Ca 0.39 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 2dwx s VAL 543 Cb -0.16 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 2dwx s VAL 543 CO 0.10 0.51 0.07 -0.69 0.00 0.00 0.00 175.10 175.08 2dwx s VAL 544 N 0.70 4.03 -0.11 2.92 1.01 0.66 -0.63 120.40 128.98 2dwx s VAL 544 Ca -0.11 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2dwx s VAL 544 Cb -0.16 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 2dwx s VAL 544 CO 0.02 0.19 0.39 0.54 0.00 0.00 0.00 175.10 176.24 2dwx s VAL 545 N 1.54 5.20 0.15 2.92 0.11 0.14 -1.03 120.40 129.42 2dwx s VAL 545 Ca 0.04 0.76 0.10 0.00 -2.93 0.00 0.00 61.98 59.96 2dwx s VAL 545 Cb -0.16 -3.72 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 2dwx s VAL 545 CO 0.02 0.41 -0.21 -0.94 -3.33 0.00 0.00 175.10 171.05 2dwx s SER 546 N 0.16 3.65 -0.16 3.54 1.04 -0.84 -0.40 113.70 120.70 2dwx s SER 546 Ca 0.22 -0.69 -0.04 0.00 0.48 0.00 0.00 55.95 55.91 2dwx s SER 546 Cb -0.15 -0.40 0.08 0.00 0.10 0.00 0.00 66.02 65.65 2dwx s SER 546 CO 0.08 0.16 0.25 -0.04 0.98 0.00 0.00 173.24 174.67 2dwx s MET 547 N -2.33 0.17 0.03 4.02 1.00 -0.11 -1.66 119.30 120.42 2dwx s MET 547 Ca 0.18 0.56 0.05 0.00 0.00 0.00 0.00 55.69 56.48 2dwx s MET 547 Cb -0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 34.83 34.28 2dwx s MET 547 CO 0.09 -0.42 -0.14 -0.51 0.00 0.00 0.00 175.02 174.04 2dwx s LEU 548 N 2.39 2.16 -0.21 -0.03 1.02 -0.64 -2.16 118.68 121.20 2dwx s LEU 548 Ca 0.04 -0.44 -0.01 0.00 0.02 0.00 0.00 54.13 53.74 2dwx s LEU 548 Cb -0.13 -0.62 0.02 0.00 0.02 0.00 0.00 46.19 45.47 2dwx s LEU 548 CO -0.10 0.05 -0.12 -0.55 0.02 0.00 0.00 176.35 175.65 2dwx s SER 549 N -1.06 3.80 -0.67 2.29 0.15 -1.25 -0.71 113.70 116.24 2dwx s SER 549 Ca 0.02 -0.71 -0.02 0.00 0.70 0.00 0.00 55.95 55.95 2dwx s SER 549 Cb -0.08 -1.59 0.44 0.00 -1.71 0.00 0.00 66.02 63.08 2dwx s SER 549 CO 0.01 -0.05 1.99 0.41 1.20 0.00 0.00 173.24 176.80 2dwx n THR 550 N 4.66 3.57 -4.78 6.45 -1.04 0.38 -4.32 114.28 119.20 2dwx n THR 550 Ca -0.19 -3.18 -0.33 0.00 -2.04 0.00 0.00 64.05 58.32 2dwx n THR 550 Cb 0.49 -1.17 -0.13 0.00 -1.82 0.00 0.00 70.33 67.70 2dwx n THR 550 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dwx s ALA 551 N -3.85 2.71 0.37 2.41 0.00 -1.25 -4.68 121.76 117.48 2dwx s ALA 551 Ca 0.63 -0.92 0.36 0.00 0.00 0.00 0.00 51.96 52.03 2dwx s ALA 551 Cb 0.50 -1.14 1.98 0.00 0.00 0.00 0.00 23.12 24.45 2dwx s ALA 551 CO -0.06 0.42 2.11 -1.35 0.00 0.00 0.00 175.76 176.88 2dwx h PRO 552 N 5.94 0.00 -6.31 0.00 0.11 -1.90 -0.93 132.00 128.91 2dwx h PRO 552 Ca -0.38 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.08 2dwx h PRO 552 Cb 1.18 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 2dwx h PRO 552 CO 0.53 0.00 -0.65 -0.65 -0.21 0.00 0.00 178.00 177.02 2dwx s GLN 553 N -3.94 2.62 0.64 1.05 -0.21 -1.26 -4.60 119.66 113.96 2dwx s GLN 553 Ca -0.04 -0.79 -0.18 0.00 0.02 0.00 0.00 55.36 54.37 2dwx s GLN 553 Cb 0.10 -2.58 -0.01 0.00 1.00 0.00 0.00 33.01 31.52 2dwx s GLN 553 CO 0.33 0.55 1.27 -1.25 -2.12 0.00 0.00 175.29 174.07 2dwx s PRO 554 N -2.24 2.62 -0.19 2.91 0.04 -1.26 -4.44 135.00 132.44 2dwx s PRO 554 Ca 0.26 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.29 2dwx s PRO 554 Cb -0.12 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2dwx s PRO 554 CO 0.18 -1.53 -0.17 0.42 0.04 0.00 0.00 177.00 175.94 2dwx s ILE 555 N -1.49 1.98 0.44 0.56 1.01 -0.42 -4.33 121.20 118.97 2dwx s ILE 555 Ca 0.81 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 60.49 2dwx s ILE 555 Cb -0.35 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 2dwx s ILE 555 CO 0.39 0.43 0.05 -0.13 0.00 0.00 0.00 174.94 175.67 2dwx s ARG 556 N 1.30 2.02 -1.58 2.79 0.52 -0.31 -0.01 118.95 123.68 2dwx s ARG 556 Ca 0.03 -2.24 -0.02 0.00 -0.52 0.00 0.00 55.73 52.98 2dwx s ARG 556 Cb -0.14 -1.19 0.00 0.00 0.52 0.00 0.00 34.95 34.14 2dwx s ARG 556 CO -0.11 -0.33 0.27 0.09 0.02 0.00 0.00 175.30 175.23 2dwx n ASN 557 N -1.17 -5.75 -4.68 0.23 3.02 -1.03 -0.89 115.26 104.99 2dwx n ASN 557 Ca -0.11 -0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 53.88 2dwx n ASN 557 Cb 0.66 -4.69 -0.03 0.00 -0.61 0.00 0.00 39.78 35.12 2dwx n ASN 557 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dwx s ILE 558 N -3.06 3.99 -0.15 2.41 1.01 -0.74 -4.09 121.20 120.56 2dwx s ILE 558 Ca 0.13 1.31 -0.03 0.00 0.00 0.00 0.00 60.65 62.07 2dwx s ILE 558 Cb -0.06 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.62 2dwx s ILE 558 CO 0.16 -0.03 0.03 -0.69 0.00 0.00 0.00 174.94 174.42 2dwx s VAL 559 N 2.63 0.40 -0.06 2.92 1.01 -0.59 -4.82 120.40 121.88 2dwx s VAL 559 Ca 0.60 -0.30 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 2dwx s VAL 559 Cb -0.28 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2dwx s VAL 559 CO 0.23 -0.08 0.48 0.12 0.00 0.00 0.00 175.10 175.86 2dwx s PHE 560 N 1.93 3.60 0.30 5.22 5.36 -1.26 -1.80 117.98 131.33 2dwx s PHE 560 Ca 0.01 0.97 0.03 0.00 -0.96 0.00 0.00 56.93 56.99 2dwx s PHE 560 Cb -0.15 -2.49 -0.06 0.00 -0.34 0.00 0.00 43.02 39.97 2dwx s PHE 560 CO -0.07 0.33 0.05 -0.65 -1.46 0.00 0.00 175.22 173.42 2dwx s GLN 561 N 0.02 1.57 0.17 10.12 -0.21 0.17 -4.98 119.66 126.52 2dwx s GLN 561 Ca 0.26 -1.86 -0.20 0.00 0.02 0.00 0.00 55.36 53.58 2dwx s GLN 561 Cb -0.16 -0.75 0.05 0.00 1.00 0.00 0.00 33.01 33.15 2dwx s GLN 561 CO 0.12 -0.19 0.54 -1.12 -2.12 0.00 0.00 175.29 172.53 2dwx s SER 562 N -3.44 -0.40 -0.12 5.90 0.01 -1.26 -2.15 113.70 112.24 2dwx s SER 562 Ca 0.36 -0.22 -0.12 0.00 1.31 0.00 0.00 55.95 57.27 2dwx s SER 562 Cb 0.08 0.57 0.03 0.00 0.21 0.00 0.00 66.02 66.92 2dwx s SER 562 CO 0.14 -0.98 0.35 0.00 0.41 0.00 0.00 173.24 173.16 2dwx s ALA 563 N -3.80 -0.86 0.13 1.44 0.00 0.21 -4.97 121.76 113.90 2dwx s ALA 563 Ca 0.04 0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.96 2dwx s ALA 563 Cb -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2dwx s ALA 563 CO -0.09 -0.17 -0.06 0.14 0.00 0.00 0.00 175.76 175.57 2dwx s VAL 564 N 0.06 0.84 0.75 0.00 -7.23 -1.26 -0.28 120.40 113.28 2dwx s VAL 564 Ca -0.01 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.02 2dwx s VAL 564 Cb -0.03 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 35.10 2dwx s VAL 564 CO 0.01 -0.77 0.72 -2.65 -0.31 0.00 0.00 175.10 172.10 2dwx n PRO 565 N -0.13 0.29 -0.07 4.82 -0.02 -1.26 -4.87 135.00 133.77 2dwx n PRO 565 Ca -0.11 0.15 0.01 0.00 -2.02 0.00 0.00 63.50 61.54 2dwx n PRO 565 Cb 0.61 -2.02 0.32 0.00 -0.02 0.00 0.00 33.50 32.40 2dwx n PRO 565 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2dwx h LYS 566 N -0.50 0.68 -0.95 -0.52 1.63 -2.01 -0.69 116.57 114.21 2dwx h LYS 566 Ca -0.46 -0.08 0.21 0.00 -0.85 0.00 0.00 60.65 59.48 2dwx h LYS 566 Cb 1.33 -0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 32.75 2dwx h LYS 566 CO 0.43 0.53 0.62 -0.39 -3.45 0.00 0.00 179.45 177.19 2dwx h VAL 567 N 0.68 0.65 -1.55 2.00 -1.51 -1.98 -3.42 116.25 111.11 2dwx h VAL 567 Ca 0.17 -0.15 -0.44 0.00 -1.23 0.00 0.00 66.70 65.05 2dwx h VAL 567 Cb 0.07 0.16 0.03 0.00 -2.13 0.00 0.00 31.29 29.43 2dwx h VAL 567 CO -0.02 0.08 -0.17 -0.04 -1.23 0.00 0.00 177.57 176.19 2dwx s MET 568 N -5.49 2.61 -0.04 5.19 -1.94 -0.26 -4.74 119.30 114.63 2dwx s MET 568 Ca -0.09 -1.22 0.02 0.00 -1.71 0.00 0.00 55.69 52.69 2dwx s MET 568 Cb 0.23 -2.66 0.01 0.00 2.01 0.00 0.00 34.83 34.42 2dwx s MET 568 CO 0.79 -0.53 -0.09 0.21 -0.01 0.00 0.00 175.02 175.39 2dwx s LYS 569 N -4.53 1.12 0.05 2.03 2.20 -0.87 -4.74 119.74 115.01 2dwx s LYS 569 Ca 0.57 -0.31 0.07 0.00 -0.36 0.00 0.00 55.97 55.94 2dwx s LYS 569 Cb -0.09 -1.02 -0.03 0.00 -1.51 0.00 0.00 37.83 35.18 2dwx s LYS 569 CO 0.36 0.07 -0.16 0.54 -0.36 0.00 0.00 175.35 175.80 2dwx s VAL 570 N 0.39 2.92 -0.07 4.02 0.11 -1.26 -0.64 120.40 125.87 2dwx s VAL 570 Ca -0.07 -1.20 -0.03 0.00 -2.93 0.00 0.00 61.98 57.75 2dwx s VAL 570 Cb -0.11 -2.26 0.04 0.00 -1.53 0.00 0.00 36.38 32.52 2dwx s VAL 570 CO 0.01 0.29 0.16 -0.75 -3.33 0.00 0.00 175.10 171.47 2dwx s LYS 571 N -1.61 0.07 -0.14 1.54 2.47 -0.32 -5.00 119.74 116.76 2dwx s LYS 571 Ca 0.16 0.46 -0.04 0.00 -1.56 0.00 0.00 55.97 54.99 2dwx s LYS 571 Cb -0.11 -0.21 -0.03 0.00 -1.46 0.00 0.00 37.83 36.02 2dwx s LYS 571 CO 0.07 -0.22 -0.00 -0.51 0.16 0.00 0.00 175.35 174.84 2dwx s LEU 572 N 1.64 3.50 0.36 5.43 1.02 -1.26 -0.45 118.68 128.91 2dwx s LEU 572 Ca -0.04 0.01 -0.10 0.00 0.02 0.00 0.00 54.13 54.02 2dwx s LEU 572 Cb -0.12 -1.84 -0.07 0.00 0.02 0.00 0.00 46.19 44.19 2dwx s LEU 572 CO -0.06 0.24 0.72 -1.10 0.02 0.00 0.00 176.35 176.17 2dwx s GLN 573 N -0.05 3.80 0.26 1.70 -1.52 0.60 -5.00 119.66 119.45 2dwx s GLN 573 Ca 0.03 0.43 -0.30 0.00 -1.95 0.00 0.00 55.36 53.57 2dwx s GLN 573 Cb -0.13 -2.45 -0.14 0.00 -0.22 0.00 0.00 33.01 30.07 2dwx s GLN 573 CO 0.02 0.06 1.21 -2.30 -0.25 0.00 0.00 175.29 174.03 2dwx n PRO 574 N -0.98 1.67 -1.96 2.91 -0.02 -1.26 -4.43 135.00 130.93 2dwx n PRO 574 Ca 0.02 0.59 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 2dwx n PRO 574 Cb 0.54 -2.11 0.08 0.00 -0.02 0.00 0.00 33.50 31.99 2dwx n PRO 574 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2dwx s PRO 575 N -1.05 2.16 0.20 0.52 0.04 -1.26 -4.72 135.00 130.89 2dwx s PRO 575 Ca 0.64 0.11 0.17 0.00 0.04 0.00 0.00 61.00 61.96 2dwx s PRO 575 Cb -0.69 -2.00 0.82 0.00 0.04 0.00 0.00 34.50 32.67 2dwx s PRO 575 CO 0.56 -1.43 1.53 -1.13 0.04 0.00 0.00 177.00 176.57 2dwx n SER 576 N -3.19 0.41 0.00 6.66 3.41 0.40 -4.89 113.62 116.42 2dwx n SER 576 Ca 0.08 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 2dwx n SER 576 Cb 0.60 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2dwx n SER 576 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dwx n GLY 577 N -0.73 -0.82 0.00 5.00 0.00 -1.26 -4.92 105.19 102.46 2dwx n GLY 577 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2dwx n GLY 577 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dwx n THR 578 N -0.17 0.00 -3.79 2.61 -1.04 -1.26 -4.95 114.28 105.69 2dwx n THR 578 Ca 0.00 -0.17 -0.12 0.00 -2.04 0.00 0.00 64.05 61.72 2dwx n THR 578 Cb 0.00 1.52 -0.08 0.00 -1.82 0.00 0.00 70.33 69.95 2dwx n THR 578 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2dwx s GLU 579 N -0.07 0.68 0.06 -2.82 -1.05 -1.26 -1.79 118.70 112.44 2dwx s GLU 579 Ca 0.00 -0.35 0.08 0.00 -0.15 0.00 0.00 54.97 54.54 2dwx s GLU 579 Cb 0.00 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 2dwx s GLU 579 CO 0.00 -0.19 -0.20 -0.51 0.95 0.00 0.00 175.26 175.31 2dwx s LEU 580 N -1.61 2.53 0.00 1.83 1.43 0.99 -4.96 118.68 118.89 2dwx s LEU 580 Ca -0.11 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 2dwx s LEU 580 Cb -0.04 -1.47 0.21 0.00 0.03 0.00 0.00 46.19 44.92 2dwx s LEU 580 CO 0.01 0.24 1.02 -0.81 0.23 0.00 0.00 176.35 177.04 2dwx n PRO 581 N 1.46 -1.74 -2.98 1.29 -0.04 -1.26 -1.30 135.00 130.44 2dwx n PRO 581 Ca -0.16 -1.59 -0.40 0.00 -0.04 0.00 0.00 63.50 61.30 2dwx n PRO 581 Cb 0.52 -1.21 -0.05 0.00 -0.04 0.00 0.00 33.50 32.72 2dwx n PRO 581 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dwx s ALA 582 N -3.60 3.36 0.12 0.55 0.00 -1.26 -4.51 121.76 116.42 2dwx s ALA 582 Ca 0.61 0.27 -0.33 0.00 0.00 0.00 0.00 51.96 52.51 2dwx s ALA 582 Cb -0.03 -3.00 -0.18 0.00 0.00 0.00 0.00 23.12 19.91 2dwx s ALA 582 CO 0.44 0.03 0.75 0.34 0.00 0.00 0.00 175.76 177.32 2dwx n PHE 583 N 2.98 -0.00 -3.57 0.00 -0.00 -0.36 -4.97 117.46 111.55 2dwx n PHE 583 Ca -0.02 1.00 -0.15 0.00 -0.00 0.00 0.00 57.45 58.28 2dwx n PHE 583 Cb 0.50 -2.02 -0.13 0.00 -0.00 0.00 0.00 39.48 37.84 2dwx n PHE 583 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 2dwx s ASN 584 N -0.58 0.76 0.21 -2.13 3.84 -1.26 -4.84 114.94 110.93 2dwx s ASN 584 Ca 0.75 0.23 -0.16 0.00 0.21 0.00 0.00 52.86 53.89 2dwx s ASN 584 Cb -1.06 0.59 0.21 0.00 -0.55 0.00 0.00 41.25 40.44 2dwx s ASN 584 CO 0.56 -0.28 1.60 -0.65 -2.79 0.00 0.00 177.10 175.55 2dwx h PRO 585 N 8.29 -0.07 0.00 0.43 0.11 -2.02 -3.34 132.00 135.41 2dwx h PRO 585 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2dwx h PRO 585 Cb 1.13 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2dwx h PRO 585 CO 0.20 -0.05 0.00 -0.89 -0.21 0.00 0.00 178.00 177.06 2dwx n ILE 586 N -5.45 0.00 -1.38 4.15 5.41 -1.26 -4.93 119.36 115.90 2dwx n ILE 586 Ca 0.07 0.31 -0.54 0.00 1.00 0.00 0.00 62.75 63.59 2dwx n ILE 586 Cb 0.36 -0.94 -0.08 0.00 -0.71 0.00 0.00 39.64 38.27 2dwx n ILE 586 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2dwx n VAL 587 N -1.46 0.00 -1.59 1.39 0.31 -1.25 -4.69 118.33 111.04 2dwx n VAL 587 Ca 0.00 0.00 -0.52 0.00 -0.01 0.00 0.00 64.34 63.81 2dwx n VAL 587 Cb 0.00 -0.23 -0.06 0.00 -0.91 0.00 0.00 33.84 32.64 2dwx n VAL 587 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2dwx n HIS 588 N 2.41 1.46 -2.49 3.52 8.25 -1.26 -4.82 115.22 122.28 2dwx n HIS 588 Ca 0.22 0.66 -0.42 0.00 -0.26 0.00 0.00 57.72 57.92 2dwx n HIS 588 Cb 0.00 -2.32 -0.03 0.00 1.12 0.00 0.00 29.99 28.77 2dwx n HIS 588 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2dwx s PRO 589 N 0.39 4.45 0.53 -0.41 0.04 -1.26 -5.01 135.00 133.73 2dwx s PRO 589 Ca 0.84 1.68 -0.22 0.00 0.04 0.00 0.00 61.00 63.34 2dwx s PRO 589 Cb -0.96 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 2dwx s PRO 589 CO 0.48 -0.23 1.39 0.45 0.04 0.00 0.00 177.00 179.12 2dwx s SER 590 N 1.09 5.35 -0.07 6.66 0.15 -1.26 -5.04 113.70 120.59 2dwx s SER 590 Ca 0.57 2.83 -0.04 0.00 0.70 0.00 0.00 55.95 60.02 2dwx s SER 590 Cb -0.27 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.43 2dwx s SER 590 CO 0.28 -1.52 0.15 0.00 1.20 0.00 0.00 173.24 173.35 2dwx s ALA 591 N -1.27 -0.31 -0.15 5.45 0.00 -1.26 -4.70 121.76 119.52 2dwx s ALA 591 Ca 0.70 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 2dwx s ALA 591 Cb -0.42 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 2dwx s ALA 591 CO 0.51 -0.14 0.33 -1.50 0.00 0.00 0.00 175.76 174.96 2dwx s ILE 592 N 0.93 5.28 0.08 0.00 2.07 -0.92 -4.90 121.20 123.73 2dwx s ILE 592 Ca -0.07 0.63 0.06 0.00 -1.41 0.00 0.00 60.65 59.86 2dwx s ILE 592 Cb -0.09 -3.67 -0.04 0.00 0.13 0.00 0.00 42.46 38.79 2dwx s ILE 592 CO -0.05 0.38 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.38 2dwx s THR 593 N 0.45 3.43 -0.15 4.00 2.01 -1.26 -0.93 115.64 123.19 2dwx s THR 593 Ca 0.19 -1.14 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 2dwx s THR 593 Cb -0.13 -2.57 0.05 0.00 0.01 0.00 0.00 72.50 69.85 2dwx s THR 593 CO 0.05 0.19 0.39 -1.58 -0.69 0.00 0.00 174.62 172.98 2dwx s GLN 594 N -2.00 0.40 -0.06 4.92 0.74 0.46 -0.45 119.66 123.67 2dwx s GLN 594 Ca 0.20 0.66 -0.16 0.00 0.05 0.00 0.00 55.36 56.12 2dwx s GLN 594 Cb -0.11 0.07 -0.05 0.00 1.10 0.00 0.00 33.01 34.02 2dwx s GLN 594 CO 0.12 -0.11 0.41 0.08 -0.55 0.00 0.00 175.29 175.24 2dwx s VAL 595 N 0.88 5.12 -0.09 1.34 1.01 -1.26 0.23 120.40 127.63 2dwx s VAL 595 Ca -0.05 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.77 2dwx s VAL 595 Cb -0.06 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.60 2dwx s VAL 595 CO -0.07 0.47 -0.10 -0.22 0.00 0.00 0.00 175.10 175.18 2dwx s LEU 596 N -0.30 1.42 -0.04 3.92 0.20 0.20 -0.29 118.68 123.80 2dwx s LEU 596 Ca 0.23 -0.29 0.04 0.00 0.69 0.00 0.00 54.13 54.80 2dwx s LEU 596 Cb -0.16 -0.81 -0.03 0.00 -0.43 0.00 0.00 46.19 44.76 2dwx s LEU 596 CO 0.11 -0.04 -0.15 -0.76 -0.29 0.00 0.00 176.35 175.22 2dwx s LEU 597 N 1.15 2.68 -0.19 -0.68 1.43 0.40 -0.61 118.68 122.86 2dwx s LEU 597 Ca -0.06 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2dwx s LEU 597 Cb -0.14 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.59 2dwx s LEU 597 CO -0.02 0.34 -0.03 -0.22 0.23 0.00 0.00 176.35 176.64 2dwx s LEU 598 N -0.80 1.77 -0.35 1.79 0.20 -0.93 -1.17 118.68 119.20 2dwx s LEU 598 Ca 0.12 -0.84 -0.14 0.00 0.69 0.00 0.00 54.13 53.97 2dwx s LEU 598 Cb -0.11 -0.91 -0.01 0.00 -0.43 0.00 0.00 46.19 44.74 2dwx s LEU 598 CO 0.01 -0.23 0.27 0.00 -0.29 0.00 0.00 176.35 176.12 2dwx s ALA 599 N 1.62 3.50 -0.52 5.97 0.00 0.18 -1.45 121.76 131.07 2dwx s ALA 599 Ca -0.01 -1.39 0.07 0.00 0.00 0.00 0.00 51.96 50.62 2dwx s ALA 599 Cb -0.17 -2.73 0.25 0.00 0.00 0.00 0.00 23.12 20.47 2dwx s ALA 599 CO -0.07 -1.06 0.64 -1.71 0.00 0.00 0.00 175.76 173.56 2dwx n ASN 600 N 5.17 2.05 0.25 0.00 5.15 0.66 -2.06 115.26 126.48 2dwx n ASN 600 Ca -0.12 -3.09 0.07 0.00 -0.60 0.00 0.00 54.58 50.85 2dwx n ASN 600 Cb 0.49 -0.65 0.60 0.00 -0.53 0.00 0.00 39.78 39.69 2dwx n ASN 600 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2dwx h PRO 601 N 4.07 0.00 0.00 1.20 0.11 -1.85 -0.13 132.00 135.40 2dwx h PRO 601 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2dwx h PRO 601 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2dwx h PRO 601 CO 0.66 0.07 0.00 1.04 -0.21 0.00 0.00 178.00 179.56 2dwx n GLN 602 N -4.41 0.39 -3.39 1.05 1.13 -1.26 -4.91 117.38 105.98 2dwx n GLN 602 Ca -0.03 0.05 -0.24 0.00 -1.94 0.00 0.00 57.00 54.84 2dwx n GLN 602 Cb 0.15 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.00 2dwx n GLN 602 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2dwx n LYS 603 N -1.26 -3.89 -1.68 -1.09 4.01 -0.06 -4.94 118.16 109.26 2dwx n LYS 603 Ca 0.12 0.56 -0.32 0.00 -0.51 0.00 0.00 58.31 58.16 2dwx n LYS 603 Cb 0.18 -5.32 0.05 0.00 -0.51 0.00 0.00 35.03 29.44 2dwx n LYS 603 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2dwx s GLU 604 N -6.06 2.80 0.31 1.97 2.02 -1.26 -4.70 118.70 113.78 2dwx s GLU 604 Ca 0.43 1.24 -0.29 0.00 0.02 0.00 0.00 54.97 56.36 2dwx s GLU 604 Cb -0.22 -1.96 -0.12 0.00 0.10 0.00 0.00 34.13 31.93 2dwx s GLU 604 CO 0.52 -1.23 1.49 1.17 0.02 0.00 0.00 175.26 177.23 2dwx n LYS 605 N -2.69 2.50 -3.55 1.61 3.00 -1.26 -4.72 118.16 113.04 2dwx n LYS 605 Ca 0.09 0.88 -0.38 0.00 -0.00 0.00 0.00 58.31 58.90 2dwx n LYS 605 Cb 0.53 -2.60 -0.11 0.00 0.00 0.00 0.00 35.03 32.85 2dwx n LYS 605 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2dwx s VAL 606 N -0.46 5.29 -0.20 3.15 1.01 -1.26 -5.05 120.40 122.88 2dwx s VAL 606 Ca 0.61 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.78 2dwx s VAL 606 Cb -0.53 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.30 2dwx s VAL 606 CO 0.55 0.20 -0.18 -0.13 0.00 0.00 0.00 175.10 175.54 2dwx s ARG 607 N 1.80 2.84 -0.01 2.72 0.52 -1.26 -4.64 118.95 120.92 2dwx s ARG 607 Ca 0.08 -0.93 -0.01 0.00 -0.52 0.00 0.00 55.73 54.34 2dwx s ARG 607 Cb -0.16 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.63 2dwx s ARG 607 CO 0.11 -0.28 0.11 -1.17 0.02 0.00 0.00 175.30 174.09 2dwx s LEU 608 N 1.25 4.06 -0.15 2.53 0.20 -0.26 -4.35 118.68 121.97 2dwx s LEU 608 Ca 0.02 0.22 0.01 0.00 0.69 0.00 0.00 54.13 55.08 2dwx s LEU 608 Cb -0.14 -2.35 0.00 0.00 -0.43 0.00 0.00 46.19 43.26 2dwx s LEU 608 CO -0.11 0.28 -0.18 -0.60 -0.29 0.00 0.00 176.35 175.45 2dwx s ARG 609 N -1.74 3.15 0.25 1.98 6.06 0.62 -1.03 118.95 128.24 2dwx s ARG 609 Ca 0.24 -0.79 0.09 0.00 -2.50 0.00 0.00 55.73 52.77 2dwx s ARG 609 Cb -0.12 -2.56 -0.04 0.00 0.06 0.00 0.00 34.95 32.29 2dwx s ARG 609 CO 0.15 0.01 0.02 1.52 -2.50 0.00 0.00 175.30 174.49 2dwx s TYR 610 N 0.80 2.76 -0.03 5.12 1.13 -0.47 0.63 117.35 127.30 2dwx s TYR 610 Ca -0.06 -0.20 0.00 0.00 -1.41 0.00 0.00 57.07 55.40 2dwx s TYR 610 Cb -0.15 -1.24 0.03 0.00 -1.10 0.00 0.00 41.96 39.50 2dwx s TYR 610 CO -0.01 0.60 0.01 0.21 -2.51 0.00 0.00 175.55 173.85 2dwx s LYS 611 N -3.61 0.27 -0.15 -3.49 2.20 -0.91 -2.69 119.74 111.36 2dwx s LYS 611 Ca 0.31 0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 55.99 2dwx s LYS 611 Cb -0.07 -0.49 0.05 0.00 -1.51 0.00 0.00 37.83 35.81 2dwx s LYS 611 CO 0.20 -0.16 0.04 -1.17 -0.36 0.00 0.00 175.35 173.91 2dwx 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118.70 118.00 2dwx s GLU 623 Ca 0.22 -0.66 -0.09 0.00 -0.41 0.00 0.00 54.97 54.03 2dwx s GLU 623 Cb -0.12 -2.60 0.03 0.00 -1.78 0.00 0.00 34.13 29.66 2dwx s GLU 623 CO -0.05 -0.29 0.29 -1.64 -0.49 0.00 0.00 175.26 173.08 2dwx s MET 624 N -4.52 0.32 0.38 1.61 -1.94 -1.26 -2.56 119.30 111.33 2dwx s MET 624 Ca 0.50 0.46 -0.12 0.00 -1.71 0.00 0.00 55.69 54.81 2dwx s MET 624 Cb -0.10 0.10 0.04 0.00 2.01 0.00 0.00 34.83 36.89 2dwx s MET 624 CO 0.37 -0.07 0.72 0.20 -0.01 0.00 0.00 175.02 176.23 2dwx s GLY 625 N 0.45 0.64 0.19 -0.03 0.00 -1.10 -5.01 107.32 102.47 2dwx s GLY 625 Ca -0.02 -0.94 0.10 0.00 0.00 0.00 0.00 44.72 43.85 2dwx s GLY 625 CO -0.02 -0.47 -0.13 0.99 0.00 0.00 0.00 173.10 173.46 2dwx s ASP 626 N -3.11 4.03 -0.04 1.64 -0.00 -1.26 -1.36 116.67 116.56 2dwx s ASP 626 Ca 0.19 -0.68 0.00 0.00 -0.00 0.00 0.00 52.55 52.07 2dwx s ASP 626 Cb -0.04 -0.59 0.03 0.00 -0.00 0.00 0.00 42.92 42.32 2dwx s ASP 626 CO 0.14 0.10 -0.01 -0.69 -0.00 0.00 0.00 175.17 174.71 2dwx s VAL 627 N -1.76 0.29 -0.00 -1.27 1.01 -0.19 -4.95 120.40 113.53 2dwx s VAL 627 Ca 0.24 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2dwx s VAL 627 Cb -0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 2dwx s VAL 627 CO 0.14 0.18 0.01 0.47 0.00 0.00 0.00 175.10 175.90 2dwx n ASP 628 N 4.28 4.93 -3.54 3.32 8.00 -1.26 -1.10 116.55 131.19 2dwx n ASP 628 Ca -0.23 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.89 2dwx n ASP 628 Cb 0.50 0.90 -0.03 0.00 -0.02 0.00 0.00 41.12 42.48 2dwx n ASP 628 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dwx n GLN 629 N -1.62 2.15 -4.16 -1.24 6.02 -1.26 -4.88 117.38 112.40 2dwx n GLN 629 Ca -0.00 -1.99 -0.25 0.00 -0.01 0.00 0.00 57.00 54.74 2dwx n GLN 629 Cb 0.12 -2.91 -0.06 0.00 1.02 0.00 0.00 30.24 28.40 2dwx n GLN 629 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2dwx s PHE 630 N 3.99 2.98 0.36 1.08 0.40 -1.26 -4.91 117.98 120.62 2dwx s PHE 630 Ca 0.52 -0.10 -0.27 0.00 -0.60 0.00 0.00 56.93 56.48 2dwx s PHE 630 Cb 0.14 -1.40 -0.12 0.00 0.51 0.00 0.00 43.02 42.15 2dwx s PHE 630 CO 0.02 0.53 1.18 -2.30 0.70 0.00 0.00 175.22 175.35 2dwx n PRO 631 N -0.50 1.80 0.00 0.24 -0.02 -1.26 -4.96 135.00 130.31 2dwx n PRO 631 Ca -0.08 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2dwx n PRO 631 Cb 0.56 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2dwx n PRO 631 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2dwx n PRO 632 N 0.40 0.00 -0.65 0.52 -0.02 -1.26 -4.86 135.00 129.14 2dwx n PRO 632 Ca 0.07 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.58 2dwx n PRO 632 Cb 0.37 0.00 0.27 0.00 -0.02 0.00 0.00 33.50 34.11 2dwx n PRO 632 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2dwx n PRO 633 N -2.64 2.99 0.00 0.52 -0.04 -1.26 -4.75 135.00 129.81 2dwx n PRO 633 Ca 0.00 -2.97 0.00 0.00 -0.04 0.00 0.00 63.50 60.49 2dwx n PRO 633 Cb 0.00 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 2dwx n PRO 633 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dwx n GLU 634 N -0.50 0.00 0.00 0.54 0.00 -1.26 -1.46 120.64 117.97 2dwx n GLU 634 Ca 0.28 0.17 0.07 0.00 0.00 0.00 0.00 57.16 57.68 2dwx n GLU 634 Cb 1.03 -1.58 -0.04 0.00 0.00 0.00 0.00 31.44 30.86 2dwx n GLU 634 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2dwx n THR 635 N -1.10 0.00 -0.64 3.84 5.66 -1.26 -4.72 114.28 116.06 2dwx n THR 635 Ca 0.00 -0.28 0.09 0.00 -3.05 0.00 0.00 64.05 60.81 2dwx n THR 635 Cb 0.08 1.09 0.37 0.00 -1.55 0.00 0.00 70.33 70.32 2dwx n THR 635 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 2dwx n TRP 636 N -0.69 1.64 0.38 1.09 2.14 -0.53 -1.53 117.44 119.93 2dwx n TRP 636 Ca 0.04 -0.62 0.12 0.00 2.07 0.00 0.00 57.50 59.11 2dwx n TRP 636 Cb 0.26 -0.32 0.20 0.00 -0.81 0.00 0.00 31.31 30.63 2dwx n TRP 636 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2dwx n GLY 637 N 0.99 1.63 0.01 -1.67 0.00 -1.25 -2.82 105.19 102.08 2dwx n GLY 637 Ca 0.26 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.56 2dwx n GLY 637 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dwx n SER 638 N 1.45 0.22 0.00 1.61 7.64 -0.58 -4.86 113.62 119.09 2dwx n SER 638 Ca 0.18 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.46 2dwx n SER 638 Cb 0.60 0.84 0.00 0.00 -1.01 0.00 0.00 64.21 64.64 2dwx n SER 638 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21