#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwy s ILE 512 N 0.00 2.06 0.31 -1.44 -1.09 -1.26 -4.96 121.20 114.82 2dwy s ILE 512 Ca 0.00 0.06 -0.27 0.00 -2.23 0.00 0.00 60.65 58.20 2dwy s ILE 512 Cb 0.00 -3.04 -0.09 0.00 -1.58 0.00 0.00 42.46 37.75 2dwy s ILE 512 CO 0.00 0.01 1.02 -0.22 -1.23 0.00 0.00 174.94 174.52 2dwy s LEU 513 N -1.53 4.42 0.07 2.97 1.98 -1.26 -4.87 118.68 120.46 2dwy s LEU 513 Ca 0.56 2.04 -0.31 0.00 -2.89 0.00 0.00 54.13 53.54 2dwy s LEU 513 Cb -0.47 -3.86 -0.08 0.00 0.66 0.00 0.00 46.19 42.45 2dwy s LEU 513 CO 0.58 -0.15 1.57 -2.84 -1.89 0.00 0.00 176.35 173.62 2dwy s PRO 514 N -1.80 4.23 -0.09 0.98 0.02 -1.26 -4.81 135.00 132.27 2dwy s PRO 514 Ca 0.48 2.24 -0.23 0.00 0.02 0.00 0.00 61.00 63.51 2dwy s PRO 514 Cb -0.25 -3.49 -0.03 0.00 0.02 0.00 0.00 34.50 30.75 2dwy s PRO 514 CO 0.32 -0.66 0.70 0.08 -0.33 0.00 0.00 177.00 177.11 2dwy s VAL 515 N 2.22 5.03 -0.41 3.83 1.01 -0.69 -4.88 120.40 126.51 2dwy s VAL 515 Ca 0.70 1.42 -0.26 0.00 0.00 0.00 0.00 61.98 63.84 2dwy s VAL 515 Cb -0.38 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 31.99 2dwy s VAL 515 CO 0.31 0.22 0.97 -0.89 0.00 0.00 0.00 175.10 175.70 2dwy s THR 516 N 1.04 4.48 -0.16 3.92 2.01 -1.26 -0.46 115.64 125.22 2dwy s THR 516 Ca 0.36 1.07 0.11 0.00 0.31 0.00 0.00 61.69 63.54 2dwy s THR 516 Cb -0.17 -4.41 -0.23 0.00 0.01 0.00 0.00 72.50 67.69 2dwy s THR 516 CO 0.16 -0.71 0.21 1.33 -0.69 0.00 0.00 174.62 174.92 2dwy n VAL 517 N 6.26 1.52 -3.89 3.82 0.24 -0.78 -4.95 118.33 120.54 2dwy n VAL 517 Ca 0.08 -0.76 -0.12 0.00 -2.04 0.00 0.00 64.34 61.49 2dwy n VAL 517 Cb 0.48 -0.95 -0.14 0.00 -1.47 0.00 0.00 33.84 31.77 2dwy n VAL 517 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2dwy s TYR 518 N -2.53 0.03 -0.43 6.34 5.04 -1.07 -4.93 117.35 119.79 2dwy s TYR 518 Ca -0.15 -0.01 0.08 0.00 -2.44 0.00 0.00 57.07 54.55 2dwy s TYR 518 Cb 0.07 -0.02 0.18 0.00 0.35 0.00 0.00 41.96 42.54 2dwy s TYR 518 CO 0.78 -0.00 0.65 0.34 -1.34 0.00 0.00 175.55 175.98 2dwy s ASP 519 N -0.02 -1.51 -0.11 4.32 -1.08 -1.24 -0.55 116.67 116.47 2dwy s ASP 519 Ca -0.00 -0.99 -0.13 0.00 -0.52 0.00 0.00 52.55 50.91 2dwy s ASP 519 Cb -0.00 1.95 0.03 0.00 -1.46 0.00 0.00 42.92 43.44 2dwy s ASP 519 CO -0.00 -0.14 0.35 -1.10 0.52 0.00 0.00 175.17 174.80 2dwy s GLN 520 N 1.63 0.47 -1.59 4.34 -1.52 -0.88 -4.93 119.66 117.19 2dwy s GLN 520 Ca 0.19 0.36 -0.02 0.00 -1.95 0.00 0.00 55.36 53.95 2dwy s GLN 520 Cb -0.03 0.22 0.00 0.00 -0.22 0.00 0.00 33.01 32.98 2dwy s GLN 520 CO -0.07 -0.08 0.21 0.72 -0.25 0.00 0.00 175.29 175.82 2dwy n HIS 521 N 2.56 -1.26 -0.74 0.91 8.25 -1.26 -1.12 115.22 122.56 2dwy n HIS 521 Ca -0.15 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2dwy n HIS 521 Cb 0.57 -3.96 0.00 0.00 1.12 0.00 0.00 29.99 27.72 2dwy n HIS 521 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dwy n GLY 522 N -1.18 0.58 3.58 -1.41 0.00 -1.26 -4.32 105.19 101.17 2dwy n GLY 522 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2dwy n GLY 522 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dwy s PHE 523 N -2.60 3.23 -0.10 1.61 5.99 -0.27 -0.65 117.98 125.18 2dwy s PHE 523 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 56.93 57.16 2dwy s PHE 523 Cb 0.00 -2.61 0.02 0.00 0.00 0.00 0.00 43.02 40.43 2dwy s PHE 523 CO 0.00 -0.31 -0.10 0.50 -0.00 0.00 0.00 175.22 175.31 2dwy s ARG 524 N 2.05 1.73 -0.09 10.12 3.52 0.02 -2.07 118.95 134.22 2dwy s ARG 524 Ca 0.13 -0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.36 2dwy s ARG 524 Cb -0.16 -1.63 -0.03 0.00 -1.56 0.00 0.00 34.95 31.57 2dwy s ARG 524 CO 0.11 -0.17 -0.02 0.42 -0.81 0.00 0.00 175.30 174.83 2dwy s ILE 525 N 1.34 4.09 0.04 4.11 -1.09 0.29 -1.77 121.20 128.21 2dwy s ILE 525 Ca -0.01 -0.32 0.02 0.00 -2.23 0.00 0.00 60.65 58.11 2dwy s ILE 525 Cb -0.14 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 38.00 2dwy s ILE 525 CO -0.05 0.58 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.41 2dwy s LEU 526 N -0.66 2.21 -0.28 2.97 1.43 -0.41 -1.86 118.68 122.08 2dwy s LEU 526 Ca 0.10 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.62 2dwy s LEU 526 Cb -0.12 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 2dwy s LEU 526 CO 0.02 -0.15 0.17 -0.36 0.23 0.00 0.00 176.35 176.26 2dwy s PHE 527 N -1.16 3.19 -0.30 0.29 0.08 0.39 -1.23 117.98 119.24 2dwy s PHE 527 Ca -0.07 -0.07 -0.10 0.00 0.12 0.00 0.00 56.93 56.80 2dwy s PHE 527 Cb -0.09 -2.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2dwy s PHE 527 CO 0.00 -0.24 0.17 -1.01 -0.10 0.00 0.00 175.22 174.05 2dwy s HIS 528 N 1.72 3.19 -0.02 0.36 3.76 0.62 -1.70 115.29 123.21 2dwy s HIS 528 Ca 0.07 -0.27 -0.23 0.00 -0.15 0.00 0.00 55.06 54.48 2dwy s HIS 528 Cb -0.16 -2.37 -0.05 0.00 1.11 0.00 0.00 32.58 31.11 2dwy s HIS 528 CO 0.09 -0.34 0.69 -0.06 -0.85 0.00 0.00 174.74 174.27 2dwy s PHE 529 N 1.68 3.65 0.00 1.40 0.40 -1.26 -0.33 117.98 123.51 2dwy s PHE 529 Ca 0.06 1.29 0.00 0.00 -0.60 0.00 0.00 56.93 57.68 2dwy s PHE 529 Cb -0.17 -2.75 0.00 0.00 0.51 0.00 0.00 43.02 40.61 2dwy s PHE 529 CO 0.08 0.21 0.00 0.00 0.70 0.00 0.00 175.22 176.21 2dwy n ALA 530 N 3.24 0.00 -1.60 5.36 0.00 0.21 -4.87 120.51 122.85 2dwy n ALA 530 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2dwy n ALA 530 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2dwy n ALA 530 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dwy n ARG 531 N -0.09 0.00 -3.36 0.00 3.00 -1.26 -4.92 116.66 110.03 2dwy n ARG 531 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 57.85 57.39 2dwy n ARG 531 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 2dwy n ARG 531 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2dwy s ASP 532 N -1.00 6.94 0.10 0.55 3.68 -1.26 -4.97 116.67 120.71 2dwy s ASP 532 Ca 0.00 -3.16 -0.20 0.00 2.13 0.00 0.00 52.55 51.32 2dwy s ASP 532 Cb 0.00 -2.18 -0.08 0.00 -1.45 0.00 0.00 42.92 39.20 2dwy s ASP 532 CO 0.00 -0.42 1.68 1.55 0.13 0.00 0.00 175.17 178.11 2dwy h PRO 533 N 7.16 0.27 -4.72 4.34 0.13 -1.88 -3.34 132.00 133.97 2dwy h PRO 533 Ca 0.14 -0.04 -0.69 0.00 -0.87 0.00 0.00 66.00 64.54 2dwy h PRO 533 Cb 0.95 -0.05 -0.29 0.00 0.13 0.00 0.00 31.00 31.74 2dwy h PRO 533 CO 0.87 0.29 -0.63 -0.51 -0.23 0.00 0.00 178.00 177.80 2dwy s LEU 534 N -9.95 4.14 0.11 1.56 1.43 -1.26 -5.03 118.68 109.69 2dwy s LEU 534 Ca -0.13 -1.07 -0.26 0.00 -1.03 0.00 0.00 54.13 51.64 2dwy s LEU 534 Cb 0.08 -1.85 -0.08 0.00 0.03 0.00 0.00 46.19 44.37 2dwy s LEU 534 CO 0.70 -0.29 1.43 -0.65 0.23 0.00 0.00 176.35 177.77 2dwy h PRO 535 N 8.19 -0.26 -0.06 1.29 0.11 -2.01 -1.68 132.00 137.57 2dwy h PRO 535 Ca -0.25 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2dwy h PRO 535 Cb 1.09 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2dwy h PRO 535 CO 0.59 -0.18 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 2dwy n GLY 536 N -1.28 -0.48 3.54 -0.55 0.00 -1.26 -4.82 105.19 100.34 2dwy n GLY 536 Ca -0.02 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 2dwy n GLY 536 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dwy s ARG 537 N -1.92 2.30 0.00 1.61 0.52 -0.63 -5.01 118.95 115.82 2dwy s ARG 537 Ca 0.31 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 2dwy s ARG 537 Cb 0.16 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.27 2dwy s ARG 537 CO 0.25 0.56 0.69 -1.13 0.02 0.00 0.00 175.30 175.69 2dwy n SER 538 N 1.41 1.25 -0.00 0.23 3.41 -1.26 -4.56 113.62 114.10 2dwy n SER 538 Ca -0.15 -1.46 0.10 0.00 -0.26 0.00 0.00 58.87 57.10 2dwy n SER 538 Cb 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 2dwy n SER 538 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2dwy n ASP 539 N -0.23 0.74 -4.51 4.04 5.75 -1.26 -4.57 116.55 116.51 2dwy n ASP 539 Ca 0.00 -0.71 -0.36 0.00 -0.01 0.00 0.00 54.79 53.71 2dwy n ASP 539 Cb 0.20 1.20 -0.12 0.00 -1.03 0.00 0.00 41.12 41.37 2dwy n ASP 539 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2dwy s VAL 540 N -3.13 4.45 -0.15 2.12 1.01 -1.26 -0.58 120.40 122.86 2dwy s VAL 540 Ca 0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 2dwy s VAL 540 Cb 0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2dwy s VAL 540 CO 0.87 0.38 0.09 -0.22 0.00 0.00 0.00 175.10 176.23 2dwy s LEU 541 N 1.14 4.05 -0.22 3.92 2.96 0.15 -4.72 118.68 125.96 2dwy s LEU 541 Ca 0.04 0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 54.15 2dwy s LEU 541 Cb -0.14 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 2dwy s LEU 541 CO 0.03 0.28 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.63 2dwy s VAL 542 N -0.23 3.65 -0.06 1.68 1.01 -1.26 -0.70 120.40 124.49 2dwy s VAL 542 Ca 0.09 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2dwy s VAL 542 Cb -0.12 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 2dwy s VAL 542 CO 0.01 0.41 -0.25 -0.69 0.00 0.00 0.00 175.10 174.58 2dwy s VAL 543 N 1.43 2.09 -0.29 2.92 1.01 -0.25 -0.62 120.40 126.69 2dwy s VAL 543 Ca 0.05 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 2dwy s VAL 543 Cb -0.14 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2dwy s VAL 543 CO -0.01 0.57 0.14 -0.69 0.00 0.00 0.00 175.10 175.11 2dwy s VAL 544 N -0.20 4.64 -0.21 2.92 1.01 0.55 -1.24 120.40 127.88 2dwy s VAL 544 Ca -0.02 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 2dwy s VAL 544 Cb -0.13 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2dwy s VAL 544 CO 0.03 0.18 0.70 -0.69 0.00 0.00 0.00 175.10 175.32 2dwy s VAL 545 N 1.64 4.96 0.05 2.92 1.01 0.11 -0.28 120.40 130.81 2dwy s VAL 545 Ca 0.06 1.33 0.04 0.00 0.00 0.00 0.00 61.98 63.40 2dwy s VAL 545 Cb -0.16 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2dwy s VAL 545 CO 0.06 0.06 -0.02 -0.94 0.00 0.00 0.00 175.10 174.26 2dwy s SER 546 N 1.25 4.93 -0.05 3.32 1.04 -0.37 -1.39 113.70 122.43 2dwy s SER 546 Ca 0.31 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2dwy s SER 546 Cb -0.16 -1.19 0.02 0.00 0.10 0.00 0.00 66.02 64.79 2dwy s SER 546 CO 0.10 0.23 -0.04 -0.04 0.98 0.00 0.00 173.24 174.47 2dwy s MET 547 N -1.91 0.82 0.01 4.02 -1.94 -0.34 -1.29 119.30 118.66 2dwy s MET 547 Ca 0.22 -0.06 -0.07 0.00 -1.71 0.00 0.00 55.69 54.07 2dwy s MET 547 Cb -0.11 -0.91 -0.00 0.00 2.01 0.00 0.00 34.83 35.82 2dwy s MET 547 CO 0.14 -0.14 0.13 -0.51 -0.01 0.00 0.00 175.02 174.62 2dwy s LEU 548 N 1.20 1.60 -0.05 -0.03 1.02 -0.73 -1.11 118.68 120.57 2dwy s LEU 548 Ca -0.07 -0.24 -0.01 0.00 0.02 0.00 0.00 54.13 53.84 2dwy s LEU 548 Cb -0.14 0.65 0.03 0.00 0.02 0.00 0.00 46.19 46.75 2dwy s LEU 548 CO -0.02 -0.38 0.00 -0.55 0.02 0.00 0.00 176.35 175.43 2dwy s SER 549 N -1.43 1.19 -0.05 2.29 0.15 -1.26 -0.80 113.70 113.79 2dwy s SER 549 Ca -0.14 -0.06 0.20 0.00 0.70 0.00 0.00 55.95 56.65 2dwy s SER 549 Cb -0.07 -0.36 0.66 0.00 -1.71 0.00 0.00 66.02 64.53 2dwy s SER 549 CO 0.01 -0.16 1.55 0.41 1.20 0.00 0.00 173.24 176.26 2dwy n THR 550 N 4.78 1.28 -2.22 6.45 -1.04 0.18 -4.51 114.28 119.19 2dwy n THR 550 Ca -0.14 -1.02 -0.38 0.00 -2.04 0.00 0.00 64.05 60.47 2dwy n THR 550 Cb 0.50 0.32 -0.01 0.00 -1.82 0.00 0.00 70.33 69.32 2dwy n THR 550 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dwy s ALA 551 N -1.38 3.11 -0.95 2.41 0.00 -1.26 -4.70 121.76 118.99 2dwy s ALA 551 Ca 0.48 1.02 0.17 0.00 0.00 0.00 0.00 51.96 53.63 2dwy s ALA 551 Cb 0.28 -3.41 0.72 0.00 0.00 0.00 0.00 23.12 20.71 2dwy s ALA 551 CO 0.29 -0.65 1.54 -0.35 0.00 0.00 0.00 175.76 176.59 2dwy n PRO 552 N -0.12 0.02 -4.41 0.00 -0.04 -1.26 -0.09 135.00 129.10 2dwy n PRO 552 Ca 0.05 0.24 -0.24 0.00 -0.04 0.00 0.00 63.50 63.51 2dwy n PRO 552 Cb 0.46 -1.54 -0.09 0.00 -0.04 0.00 0.00 33.50 32.29 2dwy n PRO 552 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2dwy s GLN 553 N -3.03 1.86 0.75 0.54 -0.21 -1.26 -4.55 119.66 113.76 2dwy s GLN 553 Ca 0.08 -1.63 -0.12 0.00 0.02 0.00 0.00 55.36 53.70 2dwy s GLN 553 Cb 0.11 -1.90 0.05 0.00 1.00 0.00 0.00 33.01 32.26 2dwy s GLN 553 CO 0.31 0.35 1.12 -2.14 -2.12 0.00 0.00 175.29 172.80 2dwy s PRO 554 N -3.47 2.26 -0.07 2.91 0.02 -1.26 -4.19 135.00 131.19 2dwy s PRO 554 Ca 0.30 1.35 0.05 0.00 0.02 0.00 0.00 61.00 62.71 2dwy s PRO 554 Cb -0.06 -1.89 -0.00 0.00 0.02 0.00 0.00 34.50 32.57 2dwy s PRO 554 CO 0.16 -1.66 -0.23 0.42 -0.33 0.00 0.00 177.00 175.36 2dwy s ILE 555 N -2.60 1.92 0.23 2.83 1.01 -0.24 -3.79 121.20 120.55 2dwy s ILE 555 Ca 0.65 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2dwy s ILE 555 Cb -0.20 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 2dwy s ILE 555 CO 0.51 0.53 0.11 0.00 0.00 0.00 0.00 174.94 176.09 2dwy s ARG 556 N 0.08 1.31 -1.61 2.79 1.70 -0.15 -1.25 118.95 121.83 2dwy s ARG 556 Ca -0.09 -1.70 -0.13 0.00 -0.47 0.00 0.00 55.73 53.33 2dwy s ARG 556 Cb -0.15 -0.04 0.11 0.00 -0.57 0.00 0.00 34.95 34.30 2dwy s ARG 556 CO 0.05 -0.33 0.71 0.09 -1.08 0.00 0.00 175.30 174.74 2dwy n ASN 557 N -0.38 -2.66 -4.72 -2.89 4.13 -0.98 -1.45 115.26 106.31 2dwy n ASN 557 Ca 0.01 -0.99 -0.42 0.00 1.68 0.00 0.00 54.58 54.86 2dwy n ASN 557 Cb 0.66 -2.94 -0.03 0.00 -1.54 0.00 0.00 39.78 35.93 2dwy n ASN 557 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2dwy s ILE 558 N -3.48 3.24 -0.12 2.41 1.01 -0.64 -4.32 121.20 119.31 2dwy s ILE 558 Ca 0.54 0.93 -0.04 0.00 0.00 0.00 0.00 60.65 62.07 2dwy s ILE 558 Cb -0.29 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 38.64 2dwy s ILE 558 CO 0.91 0.09 0.08 -0.69 0.00 0.00 0.00 174.94 175.33 2dwy s VAL 559 N 0.81 -0.11 -0.19 2.92 1.01 -0.35 -4.80 120.40 119.69 2dwy s VAL 559 Ca 0.62 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.64 2dwy s VAL 559 Cb -0.37 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 2dwy s VAL 559 CO 0.33 -0.08 0.03 0.12 0.00 0.00 0.00 175.10 175.50 2dwy s PHE 560 N 2.16 3.14 -0.00 5.22 5.36 -1.26 -1.65 117.98 130.95 2dwy s PHE 560 Ca 0.03 -0.16 0.04 0.00 -0.96 0.00 0.00 56.93 55.88 2dwy s PHE 560 Cb -0.14 -2.08 -0.01 0.00 -0.34 0.00 0.00 43.02 40.44 2dwy s PHE 560 CO -0.07 -0.03 -0.13 -0.65 -1.46 0.00 0.00 175.22 172.89 2dwy s GLN 561 N 0.68 1.00 0.06 10.12 -0.21 -0.73 -5.01 119.66 125.58 2dwy s GLN 561 Ca 0.02 -0.49 0.05 0.00 0.02 0.00 0.00 55.36 54.96 2dwy s GLN 561 Cb -0.14 -0.98 -0.03 0.00 1.00 0.00 0.00 33.01 32.87 2dwy s GLN 561 CO 0.02 0.26 -0.15 -1.12 -2.12 0.00 0.00 175.29 172.18 2dwy s SER 562 N -0.41 1.80 -0.01 5.90 0.01 -1.26 -1.01 113.70 118.72 2dwy s SER 562 Ca 0.04 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2dwy s SER 562 Cb -0.05 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.08 2dwy s SER 562 CO -0.00 0.01 -0.05 0.00 0.41 0.00 0.00 173.24 173.61 2dwy s ALA 563 N -1.02 0.41 0.27 1.44 0.00 0.24 -4.97 121.76 118.13 2dwy s ALA 563 Ca 0.01 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.85 2dwy s ALA 563 Cb -0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 2dwy s ALA 563 CO 0.02 0.09 -0.04 0.14 0.00 0.00 0.00 175.76 175.97 2dwy s VAL 564 N -0.01 1.46 0.73 0.00 -7.23 -1.26 -1.05 120.40 113.04 2dwy s VAL 564 Ca 0.01 -2.09 -0.16 0.00 -1.81 0.00 0.00 61.98 57.93 2dwy s VAL 564 Cb -0.03 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.51 2dwy s VAL 564 CO -0.00 -0.30 1.13 -2.65 -0.31 0.00 0.00 175.10 172.97 2dwy n PRO 565 N -0.54 0.56 0.23 4.82 -0.02 -1.26 -4.89 135.00 133.89 2dwy n PRO 565 Ca -0.05 0.25 0.06 0.00 -2.02 0.00 0.00 63.50 61.74 2dwy n PRO 565 Cb 0.64 -2.38 0.54 0.00 -0.02 0.00 0.00 33.50 32.27 2dwy n PRO 565 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2dwy h LYS 566 N -0.27 0.01 -0.40 -0.52 6.56 -2.00 -1.22 116.57 118.73 2dwy h LYS 566 Ca -0.48 -0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.22 2dwy h LYS 566 Cb 1.32 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.97 2dwy h LYS 566 CO 0.48 0.14 0.42 -0.39 -2.06 0.00 0.00 179.45 178.04 2dwy h VAL 567 N 0.01 0.41 -2.28 0.50 -1.51 -1.98 -3.42 116.25 107.97 2dwy h VAL 567 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 66.70 64.92 2dwy h VAL 567 Cb 0.24 0.67 -0.13 0.00 -2.13 0.00 0.00 31.29 29.93 2dwy h VAL 567 CO 0.02 0.00 -0.61 0.00 -1.23 0.00 0.00 177.57 175.75 2dwy s MET 568 N -4.64 1.79 -0.05 5.19 0.23 -0.46 -4.66 119.30 116.69 2dwy s MET 568 Ca -0.04 -2.00 0.02 0.00 -1.03 0.00 0.00 55.69 52.64 2dwy s MET 568 Cb 0.16 -1.24 0.01 0.00 -1.53 0.00 0.00 34.83 32.23 2dwy s MET 568 CO 0.56 -0.11 -0.10 0.21 -2.03 0.00 0.00 175.02 173.55 2dwy s LYS 569 N -3.80 1.35 -0.08 3.16 2.47 0.09 -4.69 119.74 118.24 2dwy s LYS 569 Ca 0.36 -0.32 0.01 0.00 -1.56 0.00 0.00 55.97 54.46 2dwy s LYS 569 Cb 0.09 -1.17 -0.03 0.00 -1.46 0.00 0.00 37.83 35.26 2dwy s LYS 569 CO 0.17 0.02 -0.08 0.54 0.16 0.00 0.00 175.35 176.15 2dwy s VAL 570 N 0.64 3.59 -0.11 4.02 0.11 -1.26 -0.56 120.40 126.83 2dwy s VAL 570 Ca -0.12 -0.51 -0.03 0.00 -2.93 0.00 0.00 61.98 58.38 2dwy s VAL 570 Cb -0.14 -2.47 0.05 0.00 -1.53 0.00 0.00 36.38 32.28 2dwy s VAL 570 CO 0.02 0.58 0.10 -0.75 -3.33 0.00 0.00 175.10 171.72 2dwy s LYS 571 N -0.59 0.01 -0.12 1.54 2.20 -0.08 -4.99 119.74 117.71 2dwy s LYS 571 Ca 0.09 0.23 -0.14 0.00 -0.36 0.00 0.00 55.97 55.79 2dwy s LYS 571 Cb -0.12 -0.99 -0.05 0.00 -1.51 0.00 0.00 37.83 35.17 2dwy s LYS 571 CO 0.02 -0.47 0.34 -0.51 -0.36 0.00 0.00 175.35 174.37 2dwy s LEU 572 N 2.19 4.29 0.45 5.43 1.43 -1.26 -0.97 118.68 130.24 2dwy s LEU 572 Ca 0.04 0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 2dwy s LEU 572 Cb -0.14 -2.46 -0.07 0.00 0.03 0.00 0.00 46.19 43.56 2dwy s LEU 572 CO -0.06 0.13 0.85 -1.10 0.23 0.00 0.00 176.35 176.40 2dwy s GLN 573 N 0.17 3.83 0.30 1.70 -1.52 -0.52 -5.02 119.66 118.61 2dwy s GLN 573 Ca 0.19 0.64 -0.29 0.00 -1.95 0.00 0.00 55.36 53.95 2dwy s GLN 573 Cb -0.14 -2.30 -0.13 0.00 -0.22 0.00 0.00 33.01 30.22 2dwy s GLN 573 CO 0.07 -0.13 1.24 -2.30 -0.25 0.00 0.00 175.29 173.92 2dwy n PRO 574 N -1.43 1.89 -1.61 2.91 -0.02 -1.26 -4.49 135.00 130.99 2dwy n PRO 574 Ca 0.04 0.66 -0.29 0.00 -2.02 0.00 0.00 63.50 61.89 2dwy n PRO 574 Cb 0.54 -2.21 0.13 0.00 -0.02 0.00 0.00 33.50 31.94 2dwy n PRO 574 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2dwy s PRO 575 N -1.42 1.29 0.46 0.52 0.04 -1.26 -4.77 135.00 129.85 2dwy s PRO 575 Ca 0.60 0.24 0.25 0.00 0.04 0.00 0.00 61.00 62.13 2dwy s PRO 575 Cb -0.63 -1.86 0.98 0.00 0.04 0.00 0.00 34.50 33.03 2dwy s PRO 575 CO 0.59 -2.09 1.85 0.66 0.04 0.00 0.00 177.00 178.05 2dwy h SER 576 N -1.42 0.00 -2.29 6.66 4.64 -1.35 -3.47 113.55 116.33 2dwy h SER 576 Ca -0.49 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.94 2dwy h SER 576 Cb 1.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.40 2dwy h SER 576 CO 0.62 0.19 0.46 0.61 -0.87 0.00 0.00 176.83 177.85 2dwy n GLY 577 N 0.12 0.76 0.00 -0.77 0.00 -1.26 -4.96 105.19 99.09 2dwy n GLY 577 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2dwy n GLY 577 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dwy n THR 578 N -0.59 0.09 -3.78 2.61 -1.04 -1.26 -4.94 114.28 105.36 2dwy n THR 578 Ca -0.03 -0.12 -0.13 0.00 -2.04 0.00 0.00 64.05 61.74 2dwy n THR 578 Cb 0.49 1.26 -0.11 0.00 -1.82 0.00 0.00 70.33 70.15 2dwy n THR 578 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2dwy s GLU 579 N -0.09 0.32 -0.05 -2.82 2.56 -1.26 -1.62 118.70 115.74 2dwy s GLU 579 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 54.97 55.32 2dwy s GLU 579 Cb 0.00 0.15 0.01 0.00 2.00 0.00 0.00 34.13 36.29 2dwy s GLU 579 CO 0.00 -0.04 -0.12 -0.51 -0.56 0.00 0.00 175.26 174.03 2dwy s LEU 580 N 0.05 1.70 0.99 2.70 1.43 -0.38 -4.94 118.68 120.24 2dwy s LEU 580 Ca -0.01 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 2dwy s LEU 580 Cb -0.02 -0.75 0.18 0.00 0.03 0.00 0.00 46.19 45.63 2dwy s LEU 580 CO 0.01 0.06 1.09 -2.16 0.23 0.00 0.00 176.35 175.57 2dwy s PRO 581 N 0.45 0.51 0.46 1.29 0.04 -1.26 -1.08 135.00 135.40 2dwy s PRO 581 Ca -0.10 0.64 -0.25 0.00 0.04 0.00 0.00 61.00 61.34 2dwy s PRO 581 Cb -0.13 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 2dwy s PRO 581 CO 0.02 -2.71 1.36 0.00 0.04 0.00 0.00 177.00 175.72 2dwy s ALA 582 N -2.90 3.16 0.26 8.56 0.00 -1.26 -4.61 121.76 124.96 2dwy s ALA 582 Ca 0.65 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.66 2dwy s ALA 582 Cb -0.19 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.29 2dwy s ALA 582 CO 0.58 -1.09 1.16 0.12 0.00 0.00 0.00 175.76 176.53 2dwy s PHE 583 N -1.26 3.45 -0.17 0.00 2.19 0.87 -4.95 117.98 118.12 2dwy s PHE 583 Ca 0.62 1.58 -0.03 0.00 0.33 0.00 0.00 56.93 59.43 2dwy s PHE 583 Cb -0.41 -3.39 0.05 0.00 -1.31 0.00 0.00 43.02 37.97 2dwy s PHE 583 CO 0.51 -0.93 0.05 1.21 1.83 0.00 0.00 175.22 177.89 2dwy s ASN 584 N -0.56 2.51 0.00 6.13 2.47 -1.26 -4.80 114.94 119.43 2dwy s ASN 584 Ca 0.47 -0.63 0.13 0.00 0.42 0.00 0.00 52.86 53.25 2dwy s ASN 584 Cb -0.33 -0.45 0.68 0.00 -1.45 0.00 0.00 41.25 39.69 2dwy s ASN 584 CO 0.42 -0.30 1.32 -0.81 -3.72 0.00 0.00 177.10 174.01 2dwy n PRO 585 N 5.14 0.21 0.00 0.43 -0.04 -1.26 -2.43 135.00 137.06 2dwy n PRO 585 Ca -0.08 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 2dwy n PRO 585 Cb 0.48 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 2dwy n PRO 585 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2dwy n ILE 586 N -1.25 0.00 -4.50 0.52 0.13 -1.26 -4.96 119.36 108.04 2dwy n ILE 586 Ca 0.07 -0.37 -0.28 0.00 -1.10 0.00 0.00 62.75 61.06 2dwy n ILE 586 Cb 0.10 1.20 -0.13 0.00 -0.84 0.00 0.00 39.64 39.96 2dwy n ILE 586 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2dwy s VAL 587 N -1.71 2.10 -0.11 9.51 0.11 -1.02 -5.08 120.40 124.19 2dwy s VAL 587 Ca 0.13 -1.60 -0.34 0.00 -2.93 0.00 0.00 61.98 57.24 2dwy s VAL 587 Cb 0.12 -1.85 -0.11 0.00 -1.53 0.00 0.00 36.38 33.01 2dwy s VAL 587 CO 0.34 0.13 1.93 1.41 -3.33 0.00 0.00 175.10 175.59 2dwy n HIS 588 N 1.19 2.27 -1.59 1.54 8.25 -1.26 -4.83 115.22 120.80 2dwy n HIS 588 Ca -0.18 -0.02 -0.39 0.00 -0.26 0.00 0.00 57.72 56.87 2dwy n HIS 588 Cb 0.53 -2.67 0.03 0.00 1.12 0.00 0.00 29.99 29.00 2dwy n HIS 588 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2dwy n PRO 589 N 6.97 1.00 -1.99 -0.41 -0.02 -1.26 -5.01 135.00 134.27 2dwy n PRO 589 Ca 0.24 0.37 -0.30 0.00 -2.02 0.00 0.00 63.50 61.79 2dwy n PRO 589 Cb 0.31 -2.03 0.01 0.00 -0.02 0.00 0.00 33.50 31.76 2dwy n PRO 589 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2dwy s SER 590 N -1.04 6.22 -0.11 2.55 0.01 -1.26 -5.11 113.70 114.96 2dwy s SER 590 Ca 0.70 1.33 -0.13 0.00 1.31 0.00 0.00 55.95 59.16 2dwy s SER 590 Cb -0.48 -2.42 0.03 0.00 0.21 0.00 0.00 66.02 63.37 2dwy s SER 590 CO 0.52 -0.84 0.34 0.00 0.41 0.00 0.00 173.24 173.68 2dwy s ALA 591 N -3.11 -0.85 0.01 1.44 0.00 -1.26 -4.59 121.76 113.39 2dwy s ALA 591 Ca 0.54 0.89 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 2dwy s ALA 591 Cb -0.11 -0.48 -0.06 0.00 0.00 0.00 0.00 23.12 22.48 2dwy s ALA 591 CO 0.52 -0.18 0.60 0.42 0.00 0.00 0.00 175.76 177.13 2dwy s ILE 592 N -0.04 4.88 -0.03 0.00 -1.09 -0.27 -4.93 121.20 119.72 2dwy s ILE 592 Ca -0.02 1.26 0.06 0.00 -2.23 0.00 0.00 60.65 59.73 2dwy s ILE 592 Cb -0.03 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 2dwy s ILE 592 CO 0.01 0.43 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.04 2dwy s THR 593 N -0.29 2.39 -0.13 2.92 2.01 -1.26 -1.19 115.64 120.09 2dwy s THR 593 Ca 0.31 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 2dwy s THR 593 Cb -0.18 -1.87 0.05 0.00 0.01 0.00 0.00 72.50 70.50 2dwy s THR 593 CO 0.18 0.58 0.32 -1.58 -0.69 0.00 0.00 174.62 173.43 2dwy s GLN 594 N -0.59 0.30 0.01 4.92 0.74 -0.49 -0.81 119.66 123.74 2dwy s GLN 594 Ca 0.09 0.60 -0.19 0.00 0.05 0.00 0.00 55.36 55.91 2dwy s GLN 594 Cb -0.11 -0.03 -0.06 0.00 1.10 0.00 0.00 33.01 33.92 2dwy s GLN 594 CO -0.00 -0.14 0.56 0.08 -0.55 0.00 0.00 175.29 175.24 2dwy s VAL 595 N 1.08 4.90 -0.07 1.34 1.01 -1.26 0.09 120.40 127.49 2dwy s VAL 595 Ca -0.07 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.11 2dwy s VAL 595 Cb -0.08 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2dwy s VAL 595 CO -0.08 0.47 -0.18 -0.22 0.00 0.00 0.00 175.10 175.08 2dwy s LEU 596 N -0.48 1.89 0.01 3.92 0.20 -0.37 -1.43 118.68 122.41 2dwy s LEU 596 Ca 0.29 -0.41 0.07 0.00 0.69 0.00 0.00 54.13 54.78 2dwy s LEU 596 Cb -0.18 -1.08 -0.03 0.00 -0.43 0.00 0.00 46.19 44.47 2dwy s LEU 596 CO 0.17 0.13 -0.22 -0.76 -0.29 0.00 0.00 176.35 175.38 2dwy s LEU 597 N 0.29 2.37 -0.22 -0.68 2.01 -0.15 -1.09 118.68 121.22 2dwy s LEU 597 Ca -0.11 -0.43 -0.01 0.00 0.01 0.00 0.00 54.13 53.59 2dwy s LEU 597 Cb -0.15 -1.42 0.06 0.00 0.01 0.00 0.00 46.19 44.69 2dwy s LEU 597 CO 0.05 0.29 -0.01 -0.22 1.01 0.00 0.00 176.35 177.47 2dwy s LEU 598 N -1.00 1.91 -0.40 1.79 1.98 0.12 -0.90 118.68 122.18 2dwy s LEU 598 Ca 0.12 -1.03 -0.18 0.00 -2.89 0.00 0.00 54.13 50.15 2dwy s LEU 598 Cb -0.10 -0.90 0.01 0.00 0.66 0.00 0.00 46.19 45.86 2dwy s LEU 598 CO 0.02 -0.27 0.51 0.00 -1.89 0.00 0.00 176.35 174.71 2dwy s ALA 599 N 1.62 3.42 -0.52 5.97 0.00 0.27 0.30 121.76 132.82 2dwy s ALA 599 Ca -0.03 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 50.72 2dwy s ALA 599 Cb -0.18 -3.10 0.26 0.00 0.00 0.00 0.00 23.12 20.10 2dwy s ALA 599 CO -0.07 -1.52 0.66 -1.71 0.00 0.00 0.00 175.76 173.12 2dwy n ASN 600 N 5.80 2.15 0.32 0.00 5.15 0.26 -0.73 115.26 128.22 2dwy n ASN 600 Ca -0.05 -3.12 -0.16 0.00 -0.60 0.00 0.00 54.58 50.64 2dwy n ASN 600 Cb 0.48 -0.65 -0.08 0.00 -0.53 0.00 0.00 39.78 39.00 2dwy n ASN 600 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2dwy h PRO 601 N 3.97 -0.78 -6.50 1.20 0.13 -1.83 -3.32 132.00 124.87 2dwy h PRO 601 Ca 0.14 0.05 -0.53 0.00 -0.87 0.00 0.00 66.00 64.79 2dwy h PRO 601 Cb 0.76 0.18 0.04 0.00 0.13 0.00 0.00 31.00 32.11 2dwy h PRO 601 CO 0.66 -0.48 1.13 0.94 -0.23 0.00 0.00 178.00 180.02 2dwy n GLN 602 N -5.39 2.83 -2.17 0.86 7.27 -1.26 -4.88 117.38 114.64 2dwy n GLN 602 Ca -0.12 1.03 -0.40 0.00 0.07 0.00 0.00 57.00 57.58 2dwy n GLN 602 Cb 0.35 -2.93 0.00 0.00 2.41 0.00 0.00 30.24 30.06 2dwy n GLN 602 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2dwy n LYS 603 N 5.80 4.76 -2.13 3.69 5.02 -1.25 -4.93 118.16 129.11 2dwy n LYS 603 Ca 0.18 -3.79 -0.27 0.00 -2.02 0.00 0.00 58.31 52.41 2dwy n LYS 603 Cb 0.38 -2.56 0.06 0.00 -0.02 0.00 0.00 35.03 32.89 2dwy n LYS 603 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dwy s GLU 604 N -2.21 2.36 0.20 1.97 0.41 -1.26 -4.71 118.70 115.46 2dwy s GLU 604 Ca 0.50 -0.04 -0.30 0.00 -0.41 0.00 0.00 54.97 54.71 2dwy s GLU 604 Cb 0.20 -2.12 -0.08 0.00 -1.78 0.00 0.00 34.13 30.34 2dwy s GLU 604 CO -0.12 -1.19 1.18 0.15 -0.49 0.00 0.00 175.26 174.80 2dwy s LYS 605 N -5.28 4.51 -0.14 1.61 -0.14 -1.26 -4.69 119.74 114.34 2dwy s LYS 605 Ca 0.59 1.87 -0.22 0.00 -1.36 0.00 0.00 55.97 56.85 2dwy s LYS 605 Cb -0.11 -3.23 -0.03 0.00 -1.68 0.00 0.00 37.83 32.79 2dwy s LYS 605 CO 0.47 -0.04 0.67 0.08 -0.76 0.00 0.00 175.35 175.76 2dwy s VAL 606 N -0.27 5.02 -0.26 3.17 1.01 -1.26 -5.02 120.40 122.80 2dwy s VAL 606 Ca 0.51 1.32 -0.01 0.00 0.00 0.00 0.00 61.98 63.80 2dwy s VAL 606 Cb -0.33 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.14 2dwy s VAL 606 CO 0.38 0.16 0.05 -0.13 0.00 0.00 0.00 175.10 175.56 2dwy s ARG 607 N 1.47 0.87 -0.11 2.72 0.52 -1.26 -4.64 118.95 118.52 2dwy s ARG 607 Ca 0.33 -0.86 -0.09 0.00 -0.52 0.00 0.00 55.73 54.59 2dwy s ARG 607 Cb -0.16 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 2dwy s ARG 607 CO 0.13 -0.80 0.19 -1.17 0.02 0.00 0.00 175.30 173.67 2dwy s LEU 608 N 1.64 4.39 -0.12 2.53 0.20 -0.84 -4.27 118.68 122.21 2dwy s LEU 608 Ca 0.03 0.54 0.00 0.00 0.69 0.00 0.00 54.13 55.40 2dwy s LEU 608 Cb -0.18 -2.17 -0.02 0.00 -0.43 0.00 0.00 46.19 43.40 2dwy s LEU 608 CO -0.16 0.37 -0.14 -0.13 -0.29 0.00 0.00 176.35 176.01 2dwy s ARG 609 N -0.90 3.27 0.24 1.98 3.00 -0.22 -0.59 118.95 125.73 2dwy s ARG 609 Ca 0.16 -0.69 0.11 0.00 0.00 0.00 0.00 55.73 55.31 2dwy s ARG 609 Cb -0.13 -2.59 -0.05 0.00 0.00 0.00 0.00 34.95 32.19 2dwy s ARG 609 CO 0.05 0.27 -0.19 1.52 0.00 0.00 0.00 175.30 176.95 2dwy s TYR 610 N 0.21 2.36 -0.16 -0.53 1.13 -0.39 -0.59 117.35 119.38 2dwy s TYR 610 Ca -0.08 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.25 2dwy s TYR 610 Cb -0.15 -1.09 0.03 0.00 -1.10 0.00 0.00 41.96 39.65 2dwy s TYR 610 CO 0.05 0.62 -0.09 0.21 -2.51 0.00 0.00 175.55 173.83 2dwy s LYS 611 N -3.17 1.80 -0.16 -3.49 2.47 -0.18 -2.41 119.74 114.60 2dwy s LYS 611 Ca 0.26 -0.55 -0.05 0.00 -1.56 0.00 0.00 55.97 54.07 2dwy s LYS 611 Cb -0.06 -2.04 -0.03 0.00 -1.46 0.00 0.00 37.83 34.23 2dwy s LYS 611 CO 0.14 -0.35 0.01 -1.17 0.16 0.00 0.00 175.35 174.14 2dwy s LEU 612 N 1.56 3.54 -0.08 5.43 0.20 0.88 -1.77 118.68 128.44 2dwy s LEU 612 Ca 0.02 -0.01 0.03 0.00 0.69 0.00 0.00 54.13 54.86 2dwy s LEU 612 Cb -0.14 -1.87 0.01 0.00 -0.43 0.00 0.00 46.19 43.75 2dwy s LEU 612 CO -0.09 0.18 -0.18 -0.89 -0.29 0.00 0.00 176.35 175.09 2dwy s THR 613 N 0.29 1.59 0.26 3.68 2.01 -0.66 -0.35 115.64 122.47 2dwy s THR 613 Ca 0.00 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 2dwy s THR 613 Cb -0.13 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 2dwy s THR 613 CO 0.02 0.46 0.41 0.72 -0.69 0.00 0.00 174.62 175.53 2dwy s PHE 614 N 0.51 0.71 -0.08 4.92 -0.71 -0.79 -1.22 117.98 121.32 2dwy s PHE 614 Ca -0.17 -1.01 0.02 0.00 -1.04 0.00 0.00 56.93 54.73 2dwy s PHE 614 Cb -0.17 -0.03 0.02 0.00 -1.21 0.00 0.00 43.02 41.63 2dwy s PHE 614 CO 0.06 -0.97 -0.11 0.99 -1.34 0.00 0.00 175.22 173.85 2dwy s THR 615 N -3.78 1.11 -0.21 -4.49 2.01 -0.53 -0.59 115.64 109.16 2dwy s THR 615 Ca 0.28 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2dwy s THR 615 Cb 0.01 -1.04 0.06 0.00 0.01 0.00 0.00 72.50 71.54 2dwy s THR 615 CO 0.13 0.36 -0.01 -0.32 -0.69 0.00 0.00 174.62 174.09 2dwy s MET 616 N 0.88 1.11 7.16 4.92 0.00 0.35 -0.97 119.30 132.75 2dwy s MET 616 Ca -0.10 -0.69 0.00 0.00 0.00 0.00 0.00 55.69 54.90 2dwy s MET 616 Cb -0.15 -2.34 0.00 0.00 0.00 0.00 0.00 34.83 32.34 2dwy s MET 616 CO 0.01 -0.62 0.00 0.41 0.00 0.00 0.00 175.02 174.82 2dwy n GLY 617 N 4.87 2.63 0.09 2.11 0.00 -1.25 -2.26 105.19 111.39 2dwy n GLY 617 Ca -0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 2dwy n GLY 617 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2dwy h ASP 618 N 0.00 0.00 -3.18 1.61 3.04 -1.97 -3.48 116.42 112.44 2dwy h ASP 618 Ca 0.00 0.00 -0.58 0.00 -3.24 0.00 0.00 57.03 53.21 2dwy h ASP 618 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 2dwy h ASP 618 CO 0.00 0.83 -0.16 -1.58 -2.04 0.00 0.00 179.24 176.30 2dwy s GLN 619 N -2.73 3.91 -0.08 4.15 2.00 -0.96 -5.09 119.66 120.87 2dwy s GLN 619 Ca -0.04 0.39 -0.01 0.00 -2.00 0.00 0.00 55.36 53.70 2dwy s GLN 619 Cb 0.08 -3.03 -0.03 0.00 0.80 0.00 0.00 33.01 30.83 2dwy s GLN 619 CO 0.82 0.56 -0.00 0.99 -0.50 0.00 0.00 175.29 177.16 2dwy s THR 620 N -1.34 4.27 -0.10 -0.34 2.01 -1.26 -0.49 115.64 118.39 2dwy s THR 620 Ca 0.33 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.06 2dwy s THR 620 Cb -0.15 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 2dwy s THR 620 CO 0.18 0.59 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.23 2dwy s TYR 621 N -0.90 2.71 -0.58 4.92 2.02 0.24 -5.00 117.35 120.77 2dwy s TYR 621 Ca 0.14 -0.56 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 2dwy s TYR 621 Cb -0.11 -1.74 0.16 0.00 -0.40 0.00 0.00 41.96 39.87 2dwy s TYR 621 CO 0.03 -0.12 0.41 -0.80 -1.57 0.00 0.00 175.55 173.50 2dwy s ASN 622 N -0.01 3.68 -0.12 2.29 -0.87 -1.26 -1.89 114.94 116.76 2dwy s ASN 622 Ca -0.05 -3.45 -0.06 0.00 -1.57 0.00 0.00 52.86 47.73 2dwy s ASN 622 Cb -0.14 -1.22 -0.04 0.00 -0.02 0.00 0.00 41.25 39.83 2dwy s ASN 622 CO 0.04 -0.14 0.11 -1.61 -2.57 0.00 0.00 177.10 172.93 2dwy s GLU 623 N -0.76 3.37 0.08 -0.60 0.41 0.52 -4.94 118.70 116.78 2dwy s GLU 623 Ca 0.26 -0.20 0.08 0.00 -0.41 0.00 0.00 54.97 54.70 2dwy s GLU 623 Cb -0.05 -3.11 -0.03 0.00 -1.78 0.00 0.00 34.13 29.16 2dwy s GLU 623 CO -0.15 0.74 -0.22 -1.64 -0.49 0.00 0.00 175.26 173.51 2dwy s MET 624 N -0.94 1.26 0.19 1.61 -1.94 -1.26 -0.08 119.30 118.14 2dwy s MET 624 Ca 0.14 -1.10 -0.23 0.00 -1.71 0.00 0.00 55.69 52.79 2dwy s MET 624 Cb -0.12 -1.49 0.05 0.00 2.01 0.00 0.00 34.83 35.28 2dwy s MET 624 CO 0.03 0.36 0.75 0.20 -0.01 0.00 0.00 175.02 176.35 2dwy s GLY 625 N -1.64 -0.32 -0.06 -0.03 0.00 -1.01 -5.00 107.32 99.26 2dwy s GLY 625 Ca 0.08 0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.98 2dwy s GLY 625 CO 0.03 0.05 -0.11 0.99 0.00 0.00 0.00 173.10 174.07 2dwy s ASP 626 N -2.82 4.32 -0.18 1.64 -0.00 -1.26 -1.26 116.67 117.10 2dwy s ASP 626 Ca 0.08 -0.12 0.00 0.00 -0.00 0.00 0.00 52.55 52.50 2dwy s ASP 626 Cb -0.03 -1.04 0.01 0.00 -0.00 0.00 0.00 42.92 41.86 2dwy s ASP 626 CO -0.02 0.34 -0.17 -0.69 -0.00 0.00 0.00 175.17 174.64 2dwy s VAL 627 N -0.70 2.39 -0.41 -1.27 1.01 0.24 -5.00 120.40 116.67 2dwy s VAL 627 Ca 0.11 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2dwy s VAL 627 Cb -0.11 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.31 2dwy s VAL 627 CO 0.01 0.52 0.78 0.47 0.00 0.00 0.00 175.10 176.88 2dwy n ASP 628 N 4.51 1.66 -2.66 3.32 8.00 -1.26 -1.98 116.55 128.13 2dwy n ASP 628 Ca -0.20 -1.45 -0.32 0.00 0.71 0.00 0.00 54.79 53.52 2dwy n ASP 628 Cb 0.51 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.60 2dwy n ASP 628 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dwy n GLN 629 N 0.08 3.15 -3.20 -1.24 6.02 -1.26 -4.97 117.38 115.95 2dwy n GLN 629 Ca 0.03 -4.10 -0.30 0.00 -0.01 0.00 0.00 57.00 52.63 2dwy n GLN 629 Cb 0.17 -2.26 -0.04 0.00 1.02 0.00 0.00 30.24 29.13 2dwy n GLN 629 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2dwy s PHE 630 N -3.76 3.46 0.44 1.08 0.40 -1.26 -4.92 117.98 113.42 2dwy s PHE 630 Ca 0.50 0.81 -0.25 0.00 -0.60 0.00 0.00 56.93 57.39 2dwy s PHE 630 Cb 0.42 -2.24 -0.09 0.00 0.51 0.00 0.00 43.02 41.62 2dwy s PHE 630 CO -0.28 0.10 1.35 -0.35 0.70 0.00 0.00 175.22 176.73 2dwy n PRO 631 N -0.92 2.06 -1.74 0.24 -0.04 -1.26 -4.94 135.00 128.40 2dwy n PRO 631 Ca 0.00 0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 63.78 2dwy n PRO 631 Cb 0.54 -2.51 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 2dwy n PRO 631 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2dwy n PRO 632 N -0.13 2.71 -0.27 0.54 -0.02 -1.26 -4.89 135.00 131.69 2dwy n PRO 632 Ca 0.06 0.97 0.23 0.00 -2.02 0.00 0.00 63.50 62.73 2dwy n PRO 632 Cb 0.41 -2.76 0.55 0.00 -0.02 0.00 0.00 33.50 31.68 2dwy n PRO 632 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2dwy h PRO 633 N 5.00 0.32 -3.21 0.52 0.11 -1.84 0.34 132.00 133.24 2dwy h PRO 633 Ca -0.47 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 64.94 2dwy h PRO 633 Cb 1.22 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2dwy h PRO 633 CO 0.81 0.21 3.65 0.39 -0.21 0.00 0.00 178.00 182.85 2dwy n GLU 634 N -4.50 3.55 0.00 1.05 4.71 -1.26 -2.73 120.64 121.46 2dwy n GLU 634 Ca 0.22 -2.34 0.00 0.00 -0.01 0.00 0.00 57.16 55.03 2dwy n GLU 634 Cb 0.83 -2.90 0.00 0.00 -1.01 0.00 0.00 31.44 28.36 2dwy n GLU 634 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2dwy n THR 635 N 3.85 0.00 1.11 2.62 -1.04 0.12 -5.19 114.28 115.74 2dwy n THR 635 Ca 0.72 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.82 2dwy n THR 635 Cb 0.27 0.00 0.53 0.00 -1.82 0.00 0.00 70.33 69.30 2dwy n THR 635 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22