#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwx n ILE 512 N 0.00 -0.02 -2.25 2.41 -5.35 -1.26 -4.61 119.36 108.27 2dwx n ILE 512 Ca 0.00 0.50 -0.29 0.00 -0.27 0.00 0.00 62.75 62.69 2dwx n ILE 512 Cb 0.00 -0.84 0.01 0.00 -1.74 0.00 0.00 39.64 37.07 2dwx n ILE 512 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2dwx s LEU 513 N -5.53 3.39 0.05 7.28 1.43 -1.26 -4.71 118.68 119.32 2dwx s LEU 513 Ca -0.02 1.12 -0.31 0.00 -1.03 0.00 0.00 54.13 53.90 2dwx s LEU 513 Cb 0.09 -4.10 -0.07 0.00 0.03 0.00 0.00 46.19 42.14 2dwx s LEU 513 CO 0.28 -0.79 1.47 -2.84 0.23 0.00 0.00 176.35 174.71 2dwx s PRO 514 N -4.98 4.27 -0.23 1.29 0.02 -1.26 -4.86 135.00 129.25 2dwx s PRO 514 Ca 0.52 2.10 -0.17 0.00 0.02 0.00 0.00 61.00 63.46 2dwx s PRO 514 Cb -0.11 -3.49 -0.03 0.00 0.02 0.00 0.00 34.50 30.89 2dwx s PRO 514 CO 0.49 -0.59 0.45 0.08 -0.33 0.00 0.00 177.00 177.11 2dwx s VAL 515 N 2.12 5.14 -0.45 3.83 1.01 -0.86 -4.93 120.40 126.27 2dwx s VAL 515 Ca 0.67 0.78 -0.28 0.00 0.00 0.00 0.00 61.98 63.15 2dwx s VAL 515 Cb -0.35 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2dwx s VAL 515 CO 0.29 0.17 1.49 -0.89 0.00 0.00 0.00 175.10 176.16 2dwx s THR 516 N 1.78 3.79 0.01 3.92 2.01 -1.26 -0.73 115.64 125.16 2dwx s THR 516 Ca 0.20 0.76 0.11 0.00 0.31 0.00 0.00 61.69 63.07 2dwx s THR 516 Cb -0.15 -4.17 -0.22 0.00 0.01 0.00 0.00 72.50 67.97 2dwx s THR 516 CO 0.09 -0.82 0.89 0.58 -0.69 0.00 0.00 174.62 174.68 2dwx h VAL 517 N 6.52 1.15 -2.83 3.82 2.07 -0.82 -3.47 116.25 122.69 2dwx h VAL 517 Ca -0.28 -2.95 -0.17 0.00 0.82 0.00 0.00 66.70 64.12 2dwx h VAL 517 Cb 1.11 2.57 -0.29 0.00 -1.52 0.00 0.00 31.29 33.16 2dwx h VAL 517 CO 1.11 0.66 -0.43 -0.47 0.02 0.00 0.00 177.57 178.45 2dwx s TYR 518 N -2.65 -0.47 -0.41 1.57 5.04 -0.82 -4.95 117.35 114.66 2dwx s TYR 518 Ca -0.03 1.04 0.04 0.00 -2.44 0.00 0.00 57.07 55.68 2dwx s TYR 518 Cb 0.09 0.11 0.17 0.00 0.35 0.00 0.00 41.96 42.68 2dwx s TYR 518 CO 0.82 -0.31 0.43 0.34 -1.34 0.00 0.00 175.55 175.49 2dwx s ASP 519 N 1.69 0.72 0.06 4.32 3.68 -1.25 -0.93 116.67 124.96 2dwx s ASP 519 Ca -0.06 -2.05 -0.13 0.00 2.13 0.00 0.00 52.55 52.44 2dwx s ASP 519 Cb -0.10 0.54 0.02 0.00 -1.45 0.00 0.00 42.92 41.92 2dwx s ASP 519 CO -0.10 -0.19 0.29 -1.10 0.13 0.00 0.00 175.17 174.20 2dwx s GLN 520 N 0.92 0.85 -1.68 4.34 -0.21 -1.09 -4.88 119.66 117.92 2dwx s GLN 520 Ca 0.24 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 55.00 2dwx s GLN 520 Cb -0.07 0.37 0.00 0.00 1.00 0.00 0.00 33.01 34.31 2dwx s GLN 520 CO -0.08 -0.28 0.00 0.72 -2.12 0.00 0.00 175.29 173.53 2dwx n HIS 521 N 0.34 -0.67 -2.19 0.91 8.25 -1.26 -0.56 115.22 120.04 2dwx n HIS 521 Ca -0.18 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.11 2dwx n HIS 521 Cb 0.61 -3.29 -0.02 0.00 1.12 0.00 0.00 29.99 28.40 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 -0.63 0.02 3.27 -1.41 0.00 -1.26 -4.49 105.19 100.70 2dwx n GLY 522 Ca -0.19 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.84 3.07 -0.08 1.61 5.99 0.28 -1.08 117.98 124.93 2dwx s PHE 523 Ca 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 56.93 55.72 2dwx s PHE 523 Cb 0.00 -2.13 -0.02 0.00 0.00 0.00 0.00 43.02 40.86 2dwx s PHE 523 CO 0.00 -0.64 -0.13 1.03 -0.00 0.00 0.00 175.22 175.49 2dwx s ARG 524 N 1.42 2.84 -0.13 10.12 0.52 -0.24 -2.67 118.95 130.82 2dwx s ARG 524 Ca 0.02 -0.67 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 2dwx s ARG 524 Cb -0.16 -2.50 0.02 0.00 0.52 0.00 0.00 34.95 32.83 2dwx s ARG 524 CO -0.02 0.49 -0.13 0.42 0.02 0.00 0.00 175.30 176.09 2dwx s ILE 525 N -0.38 1.40 0.13 1.52 1.01 -0.11 -2.04 121.20 122.73 2dwx s ILE 525 Ca 0.04 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.22 2dwx s ILE 525 Cb -0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 2dwx s ILE 525 CO 0.02 0.43 -0.09 -0.76 0.00 0.00 0.00 174.94 174.54 2dwx s LEU 526 N 1.38 3.06 -0.17 2.97 1.43 -0.59 -0.06 118.68 126.71 2dwx s LEU 526 Ca 0.01 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 2dwx s LEU 526 Cb -0.13 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2dwx s LEU 526 CO -0.07 0.15 0.07 -0.36 0.23 0.00 0.00 176.35 176.37 2dwx s PHE 527 N -1.38 3.28 -0.05 0.29 0.40 0.10 -1.20 117.98 119.43 2dwx s PHE 527 Ca 0.23 0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.74 2dwx s PHE 527 Cb -0.10 -2.05 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 2dwx s PHE 527 CO 0.15 0.24 -0.15 -1.01 0.70 0.00 0.00 175.22 175.15 2dwx s HIS 528 N 0.13 2.69 -0.05 0.36 3.76 0.23 -2.02 115.29 120.39 2dwx s HIS 528 Ca 0.05 -0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 54.78 2dwx s HIS 528 Cb -0.12 -1.63 -0.03 0.00 1.11 0.00 0.00 32.58 31.91 2dwx s HIS 528 CO 0.00 0.17 0.02 -0.06 -0.85 0.00 0.00 174.74 174.02 2dwx s PHE 529 N -0.71 3.16 0.00 1.40 0.40 -1.26 -2.02 117.98 118.95 2dwx s PHE 529 Ca 0.11 0.17 0.00 0.00 -0.60 0.00 0.00 56.93 56.61 2dwx s PHE 529 Cb -0.11 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.68 2dwx s PHE 529 CO 0.00 0.49 0.00 0.00 0.70 0.00 0.00 175.22 176.41 2dwx n ALA 530 N 1.77 0.00 -3.53 5.36 0.00 -0.09 -5.01 120.51 119.02 2dwx n ALA 530 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 2dwx n ALA 530 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 2dwx n ALA 530 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2dwx s ARG 531 N -1.80 0.91 0.17 0.00 3.00 -1.26 -2.38 118.95 117.58 2dwx s ARG 531 Ca 0.00 0.13 -0.12 0.00 -1.00 0.00 0.00 55.73 54.74 2dwx s ARG 531 Cb 0.00 0.43 0.04 0.00 0.00 0.00 0.00 34.95 35.42 2dwx s ARG 531 CO 0.00 -0.30 0.59 -0.40 0.00 0.00 0.00 175.30 175.19 2dwx n ASP 532 N 0.68 -1.24 -0.06 -2.12 5.75 -1.24 -4.90 116.55 113.41 2dwx n ASP 532 Ca -0.15 -1.75 -0.08 0.00 -0.01 0.00 0.00 54.79 52.80 2dwx n ASP 532 Cb 0.58 2.04 -0.07 0.00 -1.03 0.00 0.00 41.12 42.64 2dwx n ASP 532 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2dwx n PRO 533 N -0.41 1.02 -1.66 0.11 -0.04 -1.26 -4.51 135.00 128.24 2dwx n PRO 533 Ca -0.03 0.05 -0.54 0.00 -0.04 0.00 0.00 63.50 62.94 2dwx n PRO 533 Cb 0.37 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 2dwx n PRO 533 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2dwx n LEU 534 N -2.72 2.32 -0.13 1.53 7.94 -1.26 -4.85 117.00 119.83 2dwx n LEU 534 Ca -0.21 1.08 -0.04 0.00 -1.11 0.00 0.00 56.01 55.72 2dwx n LEU 534 Cb 0.78 -1.21 0.03 0.00 0.53 0.00 0.00 43.42 43.55 2dwx n LEU 534 CO 0.16 -0.58 0.81 -0.65 -1.11 0.00 0.00 177.39 176.02 2dwx h PRO 535 N 6.46 0.05 -1.25 1.96 0.11 -1.97 -3.07 132.00 134.28 2dwx h PRO 535 Ca -0.47 -0.00 0.37 0.00 0.11 0.00 0.00 66.00 66.01 2dwx h PRO 535 Cb 1.31 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.32 2dwx h PRO 535 CO 0.89 0.03 0.83 0.78 -0.21 0.00 0.00 178.00 180.33 2dwx h GLY 536 N 0.05 0.92 -2.24 -0.55 0.00 -1.98 -3.44 103.07 95.83 2dwx h GLY 536 Ca 0.21 -0.11 -0.48 0.00 0.00 0.00 0.00 47.33 46.95 2dwx h GLY 536 CO -0.40 -0.20 -0.03 -1.60 0.00 0.00 0.00 176.54 174.31 2dwx s ARG 537 N -5.26 3.33 -0.13 4.80 3.52 -1.16 -5.04 118.95 119.00 2dwx s ARG 537 Ca -0.07 -0.17 0.22 0.00 -0.13 0.00 0.00 55.73 55.58 2dwx s ARG 537 Cb 0.27 -2.50 0.43 0.00 -1.56 0.00 0.00 34.95 31.59 2dwx s ARG 537 CO 0.82 -0.17 1.16 0.45 -0.81 0.00 0.00 175.30 176.75 2dwx n SER 538 N -2.10 0.93 -0.06 -2.12 2.88 -1.26 -4.33 113.62 107.56 2dwx n SER 538 Ca -0.00 -2.02 -0.06 0.00 -1.33 0.00 0.00 58.87 55.45 2dwx n SER 538 Cb 0.56 -0.26 -0.07 0.00 -0.75 0.00 0.00 64.21 63.68 2dwx n SER 538 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dwx n ASP 539 N -0.14 2.63 -4.58 -3.46 10.43 -1.26 -4.58 116.55 115.59 2dwx n ASP 539 Ca 0.02 -0.02 -0.36 0.00 2.57 0.00 0.00 54.79 57.01 2dwx n ASP 539 Cb 0.95 0.46 -0.11 0.00 1.84 0.00 0.00 41.12 44.27 2dwx n ASP 539 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2dwx s VAL 540 N -2.25 4.78 -0.22 2.53 1.01 -1.26 -1.36 120.40 123.62 2dwx s VAL 540 Ca -0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 2dwx s VAL 540 Cb 0.03 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 2dwx s VAL 540 CO 0.38 0.39 0.22 -0.22 0.00 0.00 0.00 175.10 175.87 2dwx s LEU 541 N 0.96 4.14 -0.01 3.92 2.96 -0.93 -3.67 118.68 126.05 2dwx s LEU 541 Ca 0.05 0.23 -0.26 0.00 -0.22 0.00 0.00 54.13 53.93 2dwx s LEU 541 Cb -0.14 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 2dwx s LEU 541 CO 0.03 0.04 0.81 -0.69 -1.32 0.00 0.00 176.35 175.22 2dwx s VAL 542 N 1.03 4.89 -0.16 1.68 1.01 -1.00 -1.11 120.40 126.74 2dwx s VAL 542 Ca 0.10 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 2dwx s VAL 542 Cb -0.14 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.13 2dwx s VAL 542 CO 0.05 0.26 -0.05 -0.69 0.00 0.00 0.00 175.10 174.67 2dwx s VAL 543 N 0.61 1.04 -0.28 2.92 1.01 -0.08 -0.91 120.40 124.72 2dwx s VAL 543 Ca 0.42 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2dwx s VAL 543 Cb -0.20 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 2dwx s VAL 543 CO 0.23 0.14 0.39 -0.69 0.00 0.00 0.00 175.10 175.16 2dwx s VAL 544 N 1.66 5.16 -0.28 2.92 1.01 -0.86 0.09 120.40 130.11 2dwx s VAL 544 Ca 0.01 0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.44 2dwx s VAL 544 Cb -0.15 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2dwx s VAL 544 CO -0.08 0.13 0.16 0.54 0.00 0.00 0.00 175.10 175.85 2dwx s VAL 545 N 2.09 4.95 0.09 2.92 0.11 0.47 -0.60 120.40 130.44 2dwx s VAL 545 Ca 0.15 -0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.19 2dwx s VAL 545 Cb -0.16 -3.40 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 2dwx s VAL 545 CO 0.10 0.22 0.06 -0.94 -3.33 0.00 0.00 175.10 171.21 2dwx s SER 546 N 1.70 5.39 -0.02 3.54 1.04 -0.34 -1.51 113.70 123.50 2dwx s SER 546 Ca 0.06 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2dwx s SER 546 Cb -0.16 -1.40 0.02 0.00 0.10 0.00 0.00 66.02 64.58 2dwx s SER 546 CO 0.08 0.16 -0.00 -0.04 0.98 0.00 0.00 173.24 174.42 2dwx s MET 547 N -2.46 0.22 0.13 4.02 -1.94 -0.23 -1.54 119.30 117.50 2dwx s MET 547 Ca 0.29 0.04 0.06 0.00 -1.71 0.00 0.00 55.69 54.37 2dwx s MET 547 Cb -0.12 -0.36 -0.04 0.00 2.01 0.00 0.00 34.83 36.32 2dwx s MET 547 CO 0.21 -0.08 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.49 2dwx s LEU 548 N 0.71 2.43 0.01 -0.03 1.43 -0.87 -1.97 118.68 120.39 2dwx s LEU 548 Ca -0.07 -0.84 0.06 0.00 -1.03 0.00 0.00 54.13 52.24 2dwx s LEU 548 Cb -0.10 -0.52 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 2dwx s LEU 548 CO -0.01 -0.17 -0.17 -0.55 0.23 0.00 0.00 176.35 175.67 2dwx s SER 549 N -2.58 2.01 0.00 2.29 0.15 -1.26 -1.08 113.70 113.23 2dwx s SER 549 Ca 0.10 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.40 2dwx s SER 549 Cb -0.04 -0.19 0.08 0.00 -1.71 0.00 0.00 66.02 64.16 2dwx s SER 549 CO 0.03 0.16 1.02 0.41 1.20 0.00 0.00 173.24 176.06 2dwx n THR 550 N 2.32 0.89 -2.33 6.45 -1.04 -0.24 -4.73 114.28 115.60 2dwx n THR 550 Ca -0.16 -0.95 -0.33 0.00 -2.04 0.00 0.00 64.05 60.57 2dwx n THR 550 Cb 0.54 0.56 -0.02 0.00 -1.82 0.00 0.00 70.33 69.60 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 -0.92 2.84 0.20 2.41 0.00 -1.25 -4.65 121.76 120.39 2dwx s ALA 551 Ca 0.06 0.47 0.11 0.00 0.00 0.00 0.00 51.96 52.61 2dwx s ALA 551 Cb 0.03 -3.23 0.28 0.00 0.00 0.00 0.00 23.12 20.21 2dwx s ALA 551 CO 0.04 -0.50 1.56 -1.00 0.00 0.00 0.00 175.76 175.86 2dwx h PRO 552 N 1.04 0.00 -6.15 0.00 0.13 -1.91 0.29 132.00 125.39 2dwx h PRO 552 Ca -0.48 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.00 2dwx h PRO 552 Cb 1.22 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 2dwx h PRO 552 CO 0.59 0.65 -0.61 1.14 -0.23 0.00 0.00 178.00 179.53 2dwx s GLN 553 N -3.39 2.86 0.71 0.86 -2.07 -1.26 -4.41 119.66 112.96 2dwx s GLN 553 Ca -0.00 -0.64 -0.12 0.00 -1.82 0.00 0.00 55.36 52.78 2dwx s GLN 553 Cb 0.12 -2.72 0.02 0.00 -1.09 0.00 0.00 33.01 29.33 2dwx s GLN 553 CO 0.76 0.60 1.08 -1.25 -1.32 0.00 0.00 175.29 175.15 2dwx s PRO 554 N -2.02 2.73 -0.13 9.60 0.04 -1.26 -4.45 135.00 139.51 2dwx s PRO 554 Ca 0.25 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.40 2dwx s PRO 554 Cb -0.12 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 2dwx s PRO 554 CO 0.17 -1.27 -0.16 0.42 0.04 0.00 0.00 177.00 176.20 2dwx s ILE 555 N -2.85 2.75 0.23 0.56 1.01 -0.42 -4.06 121.20 118.42 2dwx s ILE 555 Ca 0.61 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.50 2dwx s ILE 555 Cb -0.16 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 2dwx s ILE 555 CO 0.52 0.53 0.10 0.00 0.00 0.00 0.00 174.94 176.09 2dwx s ARG 556 N 0.41 1.31 -1.11 2.79 1.70 0.01 -0.59 118.95 123.47 2dwx s ARG 556 Ca -0.12 -1.70 -0.02 0.00 -0.47 0.00 0.00 55.73 53.42 2dwx s ARG 556 Cb -0.16 -0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.13 2dwx s ARG 556 CO 0.06 -0.31 0.94 0.09 -1.08 0.00 0.00 175.30 175.00 2dwx n ASN 557 N -0.38 -3.05 -4.68 -2.89 3.02 -0.80 -0.81 115.26 105.67 2dwx n ASN 557 Ca 0.00 -0.54 -0.43 0.00 -0.03 0.00 0.00 54.58 53.59 2dwx n ASN 557 Cb 0.66 -4.62 -0.02 0.00 -0.61 0.00 0.00 39.78 35.18 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 -3.31 4.67 -0.12 2.41 1.01 -0.72 -3.95 121.20 121.18 2dwx s ILE 558 Ca 0.14 1.96 0.00 0.00 0.00 0.00 0.00 60.65 62.75 2dwx s ILE 558 Cb -0.06 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.17 2dwx s ILE 558 CO 0.65 -0.04 -0.12 -0.69 0.00 0.00 0.00 174.94 174.75 2dwx s VAL 559 N 2.33 1.33 -0.23 2.92 1.01 0.21 -4.84 120.40 123.14 2dwx s VAL 559 Ca 0.49 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2dwx s VAL 559 Cb -0.19 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 2dwx s VAL 559 CO 0.16 0.42 -0.03 0.12 0.00 0.00 0.00 175.10 175.77 2dwx s PHE 560 N 1.44 2.99 0.30 5.22 5.36 -1.26 -0.83 117.98 131.21 2dwx s PHE 560 Ca 0.02 -0.99 0.08 0.00 -0.96 0.00 0.00 56.93 55.08 2dwx s PHE 560 Cb -0.13 -2.12 -0.04 0.00 -0.34 0.00 0.00 43.02 40.39 2dwx s PHE 560 CO -0.08 -0.57 0.14 -0.65 -1.46 0.00 0.00 175.22 172.61 2dwx s GLN 561 N 1.47 2.52 0.02 10.12 -0.21 -0.45 -4.98 119.66 128.16 2dwx s GLN 561 Ca 0.05 -1.37 -0.04 0.00 0.02 0.00 0.00 55.36 54.02 2dwx s GLN 561 Cb -0.15 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.55 2dwx s GLN 561 CO -0.03 0.23 0.06 -1.12 -2.12 0.00 0.00 175.29 172.32 2dwx s SER 562 N -3.82 0.17 0.05 5.90 0.01 -1.26 -1.91 113.70 112.83 2dwx s SER 562 Ca 0.36 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.18 2dwx s SER 562 Cb -0.05 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.33 2dwx s SER 562 CO 0.23 -0.40 -0.06 0.00 0.41 0.00 0.00 173.24 173.42 2dwx s ALA 563 N -1.94 0.53 0.15 1.44 0.00 0.13 -4.95 121.76 117.12 2dwx s ALA 563 Ca -0.11 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2dwx s ALA 563 Cb -0.05 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2dwx s ALA 563 CO -0.02 -0.12 -0.01 0.14 0.00 0.00 0.00 175.76 175.75 2dwx s VAL 564 N -2.03 0.61 0.87 0.00 -7.23 -1.26 -1.01 120.40 110.35 2dwx s VAL 564 Ca -0.06 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.04 2dwx s VAL 564 Cb -0.06 -2.02 0.12 0.00 0.56 0.00 0.00 36.38 34.98 2dwx s VAL 564 CO -0.02 -0.56 1.16 -2.84 -0.31 0.00 0.00 175.10 172.53 2dwx s PRO 565 N -3.91 1.33 0.62 4.82 0.02 -1.26 -4.90 135.00 131.72 2dwx s PRO 565 Ca 0.21 1.58 0.36 0.00 0.02 0.00 0.00 61.00 63.17 2dwx s PRO 565 Cb 0.06 -1.76 2.03 0.00 0.02 0.00 0.00 34.50 34.86 2dwx s PRO 565 CO 0.02 -2.41 2.28 0.87 -0.33 0.00 0.00 177.00 177.43 2dwx h LYS 566 N -1.49 0.00 0.00 5.54 1.79 -2.02 -1.02 116.57 119.38 2dwx h LYS 566 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2dwx h LYS 566 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2dwx h LYS 566 CO 0.44 0.01 0.00 -0.39 -1.08 0.00 0.00 179.45 178.43 2dwx h VAL 567 N 0.00 0.00 -1.18 0.50 -1.51 -1.97 -3.45 116.25 108.64 2dwx h VAL 567 Ca -0.00 -0.78 -0.52 0.00 -1.23 0.00 0.00 66.70 64.17 2dwx h VAL 567 Cb 0.05 1.77 -0.03 0.00 -2.13 0.00 0.00 31.29 30.94 2dwx h VAL 567 CO 0.00 0.00 -0.33 -0.04 -1.23 0.00 0.00 177.57 175.97 2dwx s MET 568 N -3.35 2.42 -0.08 5.19 -1.94 -0.39 -4.65 119.30 116.50 2dwx s MET 568 Ca 0.05 -1.70 -0.06 0.00 -1.71 0.00 0.00 55.69 52.27 2dwx s MET 568 Cb 0.07 -2.31 0.03 0.00 2.01 0.00 0.00 34.83 34.63 2dwx s MET 568 CO 0.61 -0.38 0.21 0.21 -0.01 0.00 0.00 175.02 175.66 2dwx s LYS 569 N -4.22 0.22 0.07 2.03 2.20 0.11 -4.78 119.74 115.37 2dwx s LYS 569 Ca 0.45 0.35 0.10 0.00 -0.36 0.00 0.00 55.97 56.50 2dwx s LYS 569 Cb -0.03 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.29 2dwx s LYS 569 CO 0.27 -0.07 -0.26 0.54 -0.36 0.00 0.00 175.35 175.47 2dwx s VAL 570 N 0.47 2.11 -0.06 4.02 0.11 -1.26 -0.40 120.40 125.39 2dwx s VAL 570 Ca -0.03 -1.49 -0.02 0.00 -2.93 0.00 0.00 61.98 57.51 2dwx s VAL 570 Cb -0.04 -1.83 0.04 0.00 -1.53 0.00 0.00 36.38 33.01 2dwx s VAL 570 CO -0.02 0.25 0.12 -0.75 -3.33 0.00 0.00 175.10 171.37 2dwx s LYS 571 N -1.51 0.05 -0.25 1.54 2.47 -0.49 -4.98 119.74 116.57 2dwx s LYS 571 Ca 0.12 0.38 -0.04 0.00 -1.56 0.00 0.00 55.97 54.87 2dwx s LYS 571 Cb -0.10 -0.23 0.01 0.00 -1.46 0.00 0.00 37.83 36.05 2dwx s LYS 571 CO 0.03 -0.20 -0.02 -0.51 0.16 0.00 0.00 175.35 174.82 2dwx s LEU 572 N 1.42 3.25 0.59 5.43 2.01 -1.26 -1.02 118.68 129.10 2dwx s LEU 572 Ca -0.06 -0.63 -0.13 0.00 0.01 0.00 0.00 54.13 53.31 2dwx s LEU 572 Cb -0.12 -1.75 -0.05 0.00 0.01 0.00 0.00 46.19 44.28 2dwx s LEU 572 CO -0.05 -0.10 1.02 -1.10 1.01 0.00 0.00 176.35 177.13 2dwx s GLN 573 N 1.43 3.59 0.38 1.70 -1.52 -0.42 -5.02 119.66 119.80 2dwx s GLN 573 Ca 0.03 0.91 -0.28 0.00 -1.95 0.00 0.00 55.36 54.07 2dwx s GLN 573 Cb -0.16 -2.08 -0.11 0.00 -0.22 0.00 0.00 33.01 30.45 2dwx s GLN 573 CO -0.02 -0.58 1.45 -2.14 -0.25 0.00 0.00 175.29 173.75 2dwx s PRO 574 N -4.64 4.10 0.48 2.91 0.02 -1.26 -4.44 135.00 132.17 2dwx s PRO 574 Ca 0.58 2.49 -0.20 0.00 0.02 0.00 0.00 61.00 63.89 2dwx s PRO 574 Cb -0.12 -2.95 -0.09 0.00 0.02 0.00 0.00 34.50 31.37 2dwx s PRO 574 CO 0.44 -0.51 1.03 -1.25 -0.33 0.00 0.00 177.00 176.38 2dwx s PRO 575 N -2.09 3.85 0.67 5.54 0.04 -1.26 -4.60 135.00 137.15 2dwx s PRO 575 Ca 0.53 1.34 0.39 0.00 0.04 0.00 0.00 61.00 63.30 2dwx s PRO 575 Cb -0.45 -2.11 2.12 0.00 0.04 0.00 0.00 34.50 34.10 2dwx s PRO 575 CO 0.61 -0.38 2.20 0.66 0.04 0.00 0.00 177.00 180.12 2dwx h SER 576 N 1.61 0.00 -1.83 6.66 4.64 -1.45 -3.45 113.55 119.72 2dwx h SER 576 Ca -0.49 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.04 2dwx h SER 576 Cb 1.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 2dwx h SER 576 CO 0.59 0.00 0.60 0.61 -0.87 0.00 0.00 176.83 177.76 2dwx n GLY 577 N -1.14 0.49 0.00 -0.77 0.00 -1.26 -4.94 105.19 97.56 2dwx n GLY 577 Ca -0.03 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.65 0.00 -3.87 2.61 -1.04 -1.26 -4.89 114.28 105.18 2dwx n THR 578 Ca 0.01 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 61.69 2dwx n THR 578 Cb 0.45 1.12 -0.06 0.00 -1.82 0.00 0.00 70.33 70.01 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 -0.37 1.07 -0.01 -2.82 -1.05 -1.26 -1.75 118.70 112.51 2dwx s GLU 579 Ca 0.00 -1.02 0.01 0.00 -0.15 0.00 0.00 54.97 53.81 2dwx s GLU 579 Cb 0.00 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2dwx s GLU 579 CO 0.00 -0.39 -0.04 -0.51 0.95 0.00 0.00 175.26 175.27 2dwx s LEU 580 N -2.91 1.80 0.86 1.83 1.43 0.25 -4.89 118.68 117.06 2dwx s LEU 580 Ca 0.11 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 2dwx s LEU 580 Cb 0.03 -0.25 0.11 0.00 0.03 0.00 0.00 46.19 46.11 2dwx s LEU 580 CO -0.05 0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.48 2dwx s PRO 581 N 0.18 1.50 0.38 1.29 0.04 -1.26 -1.31 135.00 135.83 2dwx s PRO 581 Ca -0.02 1.04 -0.24 0.00 0.04 0.00 0.00 61.00 61.82 2dwx s PRO 581 Cb -0.05 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.55 2dwx s PRO 581 CO -0.00 -2.13 0.76 0.00 0.04 0.00 0.00 177.00 175.66 2dwx n ALA 582 N -3.84 -0.90 -2.07 8.56 0.00 -1.26 -4.65 120.51 116.35 2dwx n ALA 582 Ca 0.08 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 2dwx n ALA 582 Cb 0.54 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 2dwx n ALA 582 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2dwx s PHE 583 N -1.31 3.26 -0.38 0.00 5.99 0.10 -4.95 117.98 120.69 2dwx s PHE 583 Ca 0.63 1.15 0.02 0.00 0.00 0.00 0.00 56.93 58.72 2dwx s PHE 583 Cb -0.63 -3.62 0.11 0.00 0.00 0.00 0.00 43.02 38.89 2dwx s PHE 583 CO 0.58 -2.00 0.15 1.21 -0.00 0.00 0.00 175.22 175.15 2dwx s ASN 584 N 0.59 4.10 0.43 6.13 2.47 -1.26 -4.87 114.94 122.53 2dwx s ASN 584 Ca 0.59 -2.20 0.29 0.00 0.42 0.00 0.00 52.86 51.96 2dwx s ASN 584 Cb -0.36 -1.16 1.54 0.00 -1.45 0.00 0.00 41.25 39.82 2dwx s ASN 584 CO 0.35 -0.34 1.90 1.55 -3.72 0.00 0.00 177.10 176.84 2dwx h PRO 585 N 7.40 0.00 -0.39 0.43 0.13 -1.98 -2.17 132.00 135.42 2dwx h PRO 585 Ca -0.07 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.93 2dwx h PRO 585 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2dwx h PRO 585 CO 0.51 0.00 -0.27 0.82 -0.23 0.00 0.00 178.00 178.83 2dwx h ILE 586 N 0.00 1.27 -1.64 -3.56 2.04 -2.03 -3.46 117.51 110.14 2dwx h ILE 586 Ca 0.00 -1.41 -0.43 0.00 1.00 0.00 0.00 64.86 64.03 2dwx h ILE 586 Cb 0.07 1.26 0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2dwx h ILE 586 CO 0.00 0.47 -0.21 0.68 0.00 0.00 0.00 178.15 179.09 2dwx s VAL 587 N -4.54 2.90 0.22 1.67 -7.23 -0.82 -5.05 120.40 107.56 2dwx s VAL 587 Ca -0.10 -0.93 -0.32 0.00 -1.81 0.00 0.00 61.98 58.83 2dwx s VAL 587 Cb 0.13 -2.97 -0.13 0.00 0.56 0.00 0.00 36.38 33.96 2dwx s VAL 587 CO 0.85 0.00 1.51 1.41 -0.31 0.00 0.00 175.10 178.56 2dwx n HIS 588 N -1.97 2.36 -2.17 2.82 8.25 -1.26 -4.92 115.22 118.33 2dwx n HIS 588 Ca 0.08 0.33 -0.37 0.00 -0.26 0.00 0.00 57.72 57.49 2dwx n HIS 588 Cb 0.59 -2.52 -0.00 0.00 1.12 0.00 0.00 29.99 29.18 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 0.06 3.70 0.44 -0.41 0.04 -1.26 -5.02 135.00 132.54 2dwx s PRO 589 Ca 0.71 1.88 -0.21 0.00 0.04 0.00 0.00 61.00 63.42 2dwx s PRO 589 Cb -0.62 -2.43 -0.11 0.00 0.04 0.00 0.00 34.50 31.38 2dwx s PRO 589 CO 0.45 -0.63 0.96 -1.12 0.04 0.00 0.00 177.00 176.69 2dwx s SER 590 N -1.24 6.89 -0.05 6.66 0.01 -1.26 -5.08 113.70 119.64 2dwx s SER 590 Ca 0.64 1.69 -0.02 0.00 1.31 0.00 0.00 55.95 59.58 2dwx s SER 590 Cb -0.31 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.41 2dwx s SER 590 CO 0.38 -0.39 0.10 0.00 0.41 0.00 0.00 173.24 173.74 2dwx s ALA 591 N -2.20 -0.12 0.12 1.44 0.00 -1.26 -4.52 121.76 115.22 2dwx s ALA 591 Ca 0.62 0.53 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 2dwx s ALA 591 Cb -0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.58 2dwx s ALA 591 CO 0.14 -0.15 0.42 0.42 0.00 0.00 0.00 175.76 176.59 2dwx s ILE 592 N 1.18 5.07 -0.05 0.00 1.01 -0.83 -4.92 121.20 122.66 2dwx s ILE 592 Ca -0.09 0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.91 2dwx s ILE 592 Cb -0.12 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.72 2dwx s ILE 592 CO -0.05 0.18 0.13 0.28 0.00 0.00 0.00 174.94 175.49 2dwx s THR 593 N -1.51 -0.01 -0.08 2.92 -1.32 -1.26 -1.07 115.64 113.31 2dwx s THR 593 Ca 0.37 0.03 -0.09 0.00 -1.21 0.00 0.00 61.69 60.79 2dwx s THR 593 Cb -0.13 -0.19 0.02 0.00 -1.51 0.00 0.00 72.50 70.69 2dwx s THR 593 CO 0.20 0.01 0.24 -1.58 -2.21 0.00 0.00 174.62 171.28 2dwx s GLN 594 N 0.24 0.30 -0.02 7.08 0.74 -0.57 -1.02 119.66 126.41 2dwx s GLN 594 Ca -0.01 0.29 -0.00 0.00 0.05 0.00 0.00 55.36 55.68 2dwx s GLN 594 Cb -0.03 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 2dwx s GLN 594 CO -0.01 -0.04 0.04 0.08 -0.55 0.00 0.00 175.29 174.81 2dwx s VAL 595 N 0.02 4.49 -0.05 1.34 1.01 -1.26 -0.39 120.40 125.55 2dwx s VAL 595 Ca -0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 2dwx s VAL 595 Cb -0.02 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.37 2dwx s VAL 595 CO 0.01 0.41 0.16 -1.48 0.00 0.00 0.00 175.10 174.19 2dwx s LEU 596 N -1.50 1.42 -0.10 3.92 0.05 0.11 -1.30 118.68 121.28 2dwx s LEU 596 Ca 0.20 0.24 0.04 0.00 0.05 0.00 0.00 54.13 54.66 2dwx s LEU 596 Cb -0.12 0.56 -0.00 0.00 -2.05 0.00 0.00 46.19 44.58 2dwx s LEU 596 CO 0.10 -0.10 -0.23 -0.76 -0.55 0.00 0.00 176.35 174.81 2dwx s LEU 597 N -0.13 2.14 -0.49 1.48 1.43 -0.18 -0.90 118.68 122.03 2dwx s LEU 597 Ca -0.02 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 2dwx s LEU 597 Cb -0.02 -1.42 0.13 0.00 0.03 0.00 0.00 46.19 44.90 2dwx s LEU 597 CO 0.00 0.17 0.23 -0.22 0.23 0.00 0.00 176.35 176.77 2dwx s LEU 598 N 0.27 4.13 -0.11 1.79 0.20 -0.27 -1.40 118.68 123.30 2dwx s LEU 598 Ca -0.16 -2.86 -0.29 0.00 0.69 0.00 0.00 54.13 51.50 2dwx s LEU 598 Cb -0.17 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 2dwx s LEU 598 CO 0.08 -0.25 1.39 0.00 -0.29 0.00 0.00 176.35 177.28 2dwx s ALA 599 N -0.07 3.64 -0.38 5.97 0.00 0.46 -2.19 121.76 129.19 2dwx s ALA 599 Ca 0.16 0.65 0.12 0.00 0.00 0.00 0.00 51.96 52.89 2dwx s ALA 599 Cb -0.25 -3.65 0.37 0.00 0.00 0.00 0.00 23.12 19.58 2dwx s ALA 599 CO -0.01 -1.20 0.87 -1.71 0.00 0.00 0.00 175.76 173.70 2dwx n ASN 600 N 6.61 0.27 0.33 0.00 5.15 -0.46 0.08 115.26 127.23 2dwx n ASN 600 Ca 0.15 -3.05 0.22 0.00 -0.60 0.00 0.00 54.58 51.30 2dwx n ASN 600 Cb 0.44 -0.09 1.10 0.00 -0.53 0.00 0.00 39.78 40.70 2dwx n ASN 600 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2dwx h PRO 601 N 2.95 0.00 0.00 1.20 0.13 -1.83 -0.64 132.00 133.81 2dwx h PRO 601 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2dwx h PRO 601 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2dwx h PRO 601 CO 0.41 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.22 2dwx n GLN 602 N -3.09 0.49 -3.42 0.86 6.02 -1.26 -4.91 117.38 112.07 2dwx n GLN 602 Ca -0.02 0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.73 2dwx n GLN 602 Cb 0.12 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 29.93 2dwx n GLN 602 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2dwx n LYS 603 N -1.25 -5.96 -2.66 -1.09 4.76 -0.25 -4.98 118.16 106.74 2dwx n LYS 603 Ca 0.15 0.78 -0.27 0.00 -2.87 0.00 0.00 58.31 56.10 2dwx n LYS 603 Cb 0.22 -5.70 0.00 0.00 -1.84 0.00 0.00 35.03 27.70 2dwx n LYS 603 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2dwx s GLU 604 N -6.12 3.47 0.41 1.97 0.41 -1.26 -4.92 118.70 112.65 2dwx s GLU 604 Ca 0.48 0.13 -0.24 0.00 -0.41 0.00 0.00 54.97 54.94 2dwx s GLU 604 Cb -0.22 -2.38 -0.12 0.00 -1.78 0.00 0.00 34.13 29.62 2dwx s GLU 604 CO 0.60 -0.24 0.76 1.17 -0.49 0.00 0.00 175.26 177.06 2dwx n LYS 605 N -2.26 0.89 -3.70 1.61 4.81 -1.26 -4.88 118.16 113.38 2dwx n LYS 605 Ca 0.01 0.32 -0.38 0.00 -0.87 0.00 0.00 58.31 57.39 2dwx n LYS 605 Cb 0.55 -1.73 -0.12 0.00 0.02 0.00 0.00 35.03 33.76 2dwx n LYS 605 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2dwx s VAL 606 N -1.35 4.50 -0.03 3.15 1.01 -1.26 -5.02 120.40 121.39 2dwx s VAL 606 Ca 0.63 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2dwx s VAL 606 Cb -0.60 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 32.59 2dwx s VAL 606 CO 0.57 0.19 -0.03 -0.13 0.00 0.00 0.00 175.10 175.70 2dwx s ARG 607 N 1.62 0.55 0.01 2.72 1.81 -1.26 -4.63 118.95 119.77 2dwx s ARG 607 Ca 0.05 -0.04 0.04 0.00 -1.72 0.00 0.00 55.73 54.06 2dwx s ARG 607 Cb -0.16 -0.63 -0.01 0.00 -0.45 0.00 0.00 34.95 33.70 2dwx s ARG 607 CO 0.05 -0.08 -0.12 -1.17 -0.68 0.00 0.00 175.30 173.30 2dwx s LEU 608 N 0.82 2.07 -0.16 2.53 0.20 -0.20 -4.22 118.68 119.72 2dwx s LEU 608 Ca -0.10 -0.29 0.00 0.00 0.69 0.00 0.00 54.13 54.43 2dwx s LEU 608 Cb -0.13 -0.60 0.03 0.00 -0.43 0.00 0.00 46.19 45.07 2dwx s LEU 608 CO -0.01 0.11 -0.09 -0.60 -0.29 0.00 0.00 176.35 175.47 2dwx s ARG 609 N -0.56 1.79 0.22 1.98 3.52 -0.18 -0.34 118.95 125.38 2dwx s ARG 609 Ca 0.03 -0.56 0.04 0.00 -0.13 0.00 0.00 55.73 55.12 2dwx s ARG 609 Cb -0.06 -2.05 -0.03 0.00 -1.56 0.00 0.00 34.95 31.25 2dwx s ARG 609 CO 0.00 -0.36 0.34 1.52 -0.81 0.00 0.00 175.30 175.99 2dwx s TYR 610 N 1.56 3.45 -0.18 5.12 1.13 -0.52 0.18 117.35 128.09 2dwx s TYR 610 Ca 0.02 0.01 -0.01 0.00 -1.41 0.00 0.00 57.07 55.68 2dwx s TYR 610 Cb -0.14 -1.59 0.05 0.00 -1.10 0.00 0.00 41.96 39.17 2dwx s TYR 610 CO -0.09 0.46 -0.03 0.21 -2.51 0.00 0.00 175.55 173.60 2dwx s LYS 611 N -3.79 1.23 -0.13 -3.49 2.20 -0.80 -2.77 119.74 112.19 2dwx s LYS 611 Ca 0.34 -0.52 -0.03 0.00 -0.36 0.00 0.00 55.97 55.40 2dwx s LYS 611 Cb -0.09 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.15 2dwx s LYS 611 CO 0.29 -0.49 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.59 2dwx s LEU 612 N 1.67 3.38 -0.05 5.43 0.20 0.20 -1.34 118.68 128.17 2dwx s LEU 612 Ca -0.00 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.80 2dwx s LEU 612 Cb -0.16 -1.80 0.02 0.00 -0.43 0.00 0.00 46.19 43.83 2dwx s LEU 612 CO -0.07 0.25 -0.05 -0.89 -0.29 0.00 0.00 176.35 175.30 2dwx s THR 613 N -0.13 0.58 0.13 3.68 2.01 -0.01 0.04 115.64 121.95 2dwx s THR 613 Ca 0.03 -0.12 -0.23 0.00 0.31 0.00 0.00 61.69 61.68 2dwx s THR 613 Cb -0.13 -0.61 0.07 0.00 0.01 0.00 0.00 72.50 71.83 2dwx s THR 613 CO 0.02 0.25 0.59 0.72 -0.69 0.00 0.00 174.62 175.51 2dwx s PHE 614 N 1.07 -0.52 -0.05 4.92 -0.71 -0.99 -0.62 117.98 121.08 2dwx s PHE 614 Ca -0.09 0.38 0.06 0.00 -1.04 0.00 0.00 56.93 56.24 2dwx s PHE 614 Cb -0.14 0.52 -0.01 0.00 -1.21 0.00 0.00 43.02 42.17 2dwx s PHE 614 CO -0.01 -0.81 -0.24 0.99 -1.34 0.00 0.00 175.22 173.82 2dwx s THR 615 N -3.47 1.92 -0.13 -4.49 2.01 0.01 -0.90 115.64 110.59 2dwx s THR 615 Ca -0.00 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 2dwx s THR 615 Cb -0.01 -1.62 0.05 0.00 0.01 0.00 0.00 72.50 70.94 2dwx s THR 615 CO -0.10 0.54 0.11 -0.32 -0.69 0.00 0.00 174.62 174.15 2dwx s MET 616 N -0.23 0.03 7.66 4.92 0.00 -0.91 -0.81 119.30 129.95 2dwx s MET 616 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 55.69 55.86 2dwx s MET 616 Cb -0.12 -1.16 0.00 0.00 0.00 0.00 0.00 34.83 33.55 2dwx s MET 616 CO 0.02 -0.52 0.00 0.41 0.00 0.00 0.00 175.02 174.93 2dwx n GLY 617 N 5.30 3.13 0.69 2.11 0.00 -1.26 -2.88 105.19 112.27 2dwx n GLY 617 Ca -0.05 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.90 2dwx n GLY 617 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dwx n ASP 618 N 6.81 2.41 -4.94 1.61 8.00 -1.26 -4.98 116.55 124.21 2dwx n ASP 618 Ca 0.00 -1.71 -0.25 0.00 0.71 0.00 0.00 54.79 53.54 2dwx n ASP 618 Cb 0.00 0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.27 2dwx n ASP 618 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2dwx s GLN 619 N -1.97 3.50 -0.19 -1.24 -1.52 -1.14 -5.11 119.66 111.98 2dwx s GLN 619 Ca 0.21 -0.41 -0.01 0.00 -1.95 0.00 0.00 55.36 53.20 2dwx s GLN 619 Cb 0.17 -2.77 0.05 0.00 -0.22 0.00 0.00 33.01 30.24 2dwx s GLN 619 CO 0.37 0.30 -0.00 0.99 -0.25 0.00 0.00 175.29 176.69 2dwx s THR 620 N -2.07 0.88 -0.07 -0.19 2.01 -1.26 -2.15 115.64 112.78 2dwx s THR 620 Ca 0.38 -0.70 -0.20 0.00 0.31 0.00 0.00 61.69 61.48 2dwx s THR 620 Cb -0.10 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2dwx s THR 620 CO 0.32 -0.09 0.56 -0.31 -0.69 0.00 0.00 174.62 174.41 2dwx s TYR 621 N 1.71 3.57 -0.38 4.92 1.51 -0.08 -4.95 117.35 123.65 2dwx s TYR 621 Ca -0.02 1.06 0.03 0.00 -1.01 0.00 0.00 57.07 57.14 2dwx s TYR 621 Cb -0.17 -2.63 0.11 0.00 -0.11 0.00 0.00 41.96 39.16 2dwx s TYR 621 CO -0.07 0.20 0.11 -0.80 -1.11 0.00 0.00 175.55 173.87 2dwx s ASN 622 N 0.44 4.76 0.06 2.29 -0.87 -1.26 -2.34 114.94 118.02 2dwx s ASN 622 Ca 0.30 -2.30 0.05 0.00 -1.57 0.00 0.00 52.86 49.34 2dwx s ASN 622 Cb -0.17 -1.66 -0.04 0.00 -0.02 0.00 0.00 41.25 39.37 2dwx s ASN 622 CO 0.14 -0.37 -0.04 -1.61 -2.57 0.00 0.00 177.10 172.65 2dwx s GLU 623 N 0.72 2.48 0.02 -0.60 8.01 0.11 -4.95 118.70 124.48 2dwx s GLU 623 Ca 0.12 -0.82 0.01 0.00 0.01 0.00 0.00 54.97 54.28 2dwx s GLU 623 Cb -0.20 -2.49 -0.01 0.00 -4.31 0.00 0.00 34.13 27.11 2dwx s GLU 623 CO -0.06 0.56 -0.04 -1.64 0.01 0.00 0.00 175.26 174.09 2dwx s MET 624 N -1.95 0.30 0.18 1.61 -1.94 -1.26 0.60 119.30 116.84 2dwx s MET 624 Ca 0.22 -0.42 -0.21 0.00 -1.71 0.00 0.00 55.69 53.57 2dwx s MET 624 Cb -0.11 -0.09 0.05 0.00 2.01 0.00 0.00 34.83 36.69 2dwx s MET 624 CO 0.13 0.01 0.59 0.20 -0.01 0.00 0.00 175.02 175.94 2dwx s GLY 625 N -0.90 -0.43 -0.13 -0.03 0.00 -1.12 -5.01 107.32 99.71 2dwx s GLY 625 Ca -0.08 0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.82 2dwx s GLY 625 CO -0.00 0.02 0.02 0.99 0.00 0.00 0.00 173.10 174.12 2dwx s ASP 626 N -2.80 5.31 -0.15 1.64 -0.00 -1.26 -1.44 116.67 117.97 2dwx s ASP 626 Ca 0.04 0.09 -0.02 0.00 -0.00 0.00 0.00 52.55 52.66 2dwx s ASP 626 Cb -0.01 -1.70 -0.02 0.00 -0.00 0.00 0.00 42.92 41.19 2dwx s ASP 626 CO -0.09 0.29 -0.08 -0.69 -0.00 0.00 0.00 175.17 174.60 2dwx s VAL 627 N -0.32 3.47 0.00 -1.27 1.01 0.54 -4.99 120.40 118.85 2dwx s VAL 627 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2dwx s VAL 627 Cb -0.12 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2dwx s VAL 627 CO 0.02 0.50 0.12 -0.90 0.00 0.00 0.00 175.10 174.84 2dwx n ASP 628 N 3.67 0.25 -3.54 3.32 5.68 -1.26 -1.03 116.55 123.63 2dwx n ASP 628 Ca -0.18 -0.59 -0.40 0.00 -0.50 0.00 0.00 54.79 53.12 2dwx n ASP 628 Cb 0.52 0.34 -0.01 0.00 -1.14 0.00 0.00 41.12 40.84 2dwx n ASP 628 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dwx n GLN 629 N -0.34 4.10 -3.80 0.11 1.13 -1.26 -4.86 117.38 112.46 2dwx n GLN 629 Ca 0.00 -3.15 -0.27 0.00 -1.94 0.00 0.00 57.00 51.63 2dwx n GLN 629 Cb 0.04 -2.77 -0.03 0.00 0.11 0.00 0.00 30.24 27.59 2dwx n GLN 629 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2dwx s PHE 630 N 0.14 3.49 0.24 1.08 0.40 -1.26 -4.89 117.98 117.17 2dwx s PHE 630 Ca 0.54 0.26 -0.30 0.00 -0.60 0.00 0.00 56.93 56.83 2dwx s PHE 630 Cb 0.16 -1.79 -0.10 0.00 0.51 0.00 0.00 43.02 41.81 2dwx s PHE 630 CO -0.07 0.44 1.37 -2.14 0.70 0.00 0.00 175.22 175.53 2dwx s PRO 631 N -3.21 4.32 0.35 0.24 0.02 -1.26 -4.51 135.00 130.96 2dwx s PRO 631 Ca 0.37 2.20 -0.28 0.00 0.02 0.00 0.00 61.00 63.31 2dwx s PRO 631 Cb -0.11 -3.14 -0.12 0.00 0.02 0.00 0.00 34.50 31.15 2dwx s PRO 631 CO 0.29 -0.33 1.38 -0.35 -0.33 0.00 0.00 177.00 177.66 2dwx n PRO 632 N 2.25 2.38 0.01 5.54 -0.04 -1.26 -4.85 135.00 139.02 2dwx n PRO 632 Ca 0.06 0.83 0.22 0.00 -0.04 0.00 0.00 63.50 64.57 2dwx n PRO 632 Cb 0.41 -2.49 0.72 0.00 -0.04 0.00 0.00 33.50 32.11 2dwx n PRO 632 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2dwx h PRO 633 N 2.80 0.00 -0.34 0.54 0.13 -1.91 -2.32 132.00 130.89 2dwx h PRO 633 Ca -0.48 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2dwx h PRO 633 Cb 1.26 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 2dwx h PRO 633 CO 0.64 0.00 -0.14 0.93 -0.23 0.00 0.00 178.00 179.20 2dwx h GLU 634 N 0.00 -0.08 -0.95 0.86 3.07 -1.89 -2.62 114.58 112.97 2dwx h GLU 634 Ca 0.26 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.08 2dwx h GLU 634 Cb 1.14 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 29.04 2dwx h GLU 634 CO -0.00 -0.05 0.06 0.25 -1.40 0.00 0.00 179.01 177.86 2dwx n THR 635 N -5.33 0.94 0.11 1.13 -2.24 -0.87 -4.04 114.28 103.98 2dwx n THR 635 Ca 0.01 -0.33 0.01 0.00 -2.27 0.00 0.00 64.05 61.47 2dwx n THR 635 Cb 0.24 -0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 67.82 2dwx n THR 635 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 2dwx h TRP 636 N 0.56 0.00 0.16 4.78 4.06 -1.60 -3.27 115.95 120.64 2dwx h TRP 636 Ca 0.06 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 2dwx h TRP 636 Cb 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 2dwx h TRP 636 CO 0.27 0.60 -0.08 0.78 -3.56 0.00 0.00 178.44 176.45 2dwx h GLY 637 N 3.44 -0.23 -5.87 1.49 0.00 -1.75 -3.41 103.07 96.75 2dwx h GLY 637 Ca -0.03 0.08 -0.55 0.00 0.00 0.00 0.00 47.33 46.84 2dwx h GLY 637 CO 0.07 -0.08 1.27 -0.45 0.00 0.00 0.00 176.54 177.36 2dwx s SER 638 N -5.15 6.20 0.00 0.19 0.15 -1.23 -4.98 113.70 108.87 2dwx s SER 638 Ca -0.14 2.28 0.31 0.00 0.70 0.00 0.00 55.95 59.09 2dwx s SER 638 Cb 0.04 -2.53 1.61 0.00 -1.71 0.00 0.00 66.02 63.43 2dwx s SER 638 CO 0.63 -1.31 2.06 0.18 1.20 0.00 0.00 173.24 176.00