#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p93 s PRO 530 N 0.00 2.02 0.00 -0.78 0.04 -1.26 -5.16 135.00 129.86 1p93 s PRO 530 Ca 0.00 -2.21 0.00 0.00 0.04 0.00 0.00 61.00 58.83 1p93 s PRO 530 Cb 0.00 -1.46 0.00 0.00 0.04 0.00 0.00 34.50 33.08 1p93 s PRO 530 CO 0.00 -0.21 0.00 2.41 0.04 0.00 0.00 177.00 179.24 1p93 n THR 531 N -1.06 0.00 -0.10 1.26 -1.04 -1.26 -5.04 114.28 107.04 1p93 n THR 531 Ca -0.10 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.80 1p93 n THR 531 Cb 0.67 -0.91 -0.15 0.00 -1.82 0.00 0.00 70.33 68.11 1p93 n THR 531 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1p93 n LEU 532 N 0.00 0.27 0.30 -4.42 7.94 -1.26 -4.38 117.00 115.46 1p93 n LEU 532 Ca 0.00 -0.01 -0.13 0.00 -1.11 0.00 0.00 56.01 54.76 1p93 n LEU 532 Cb 0.00 0.36 -0.06 0.00 0.53 0.00 0.00 43.42 44.24 1p93 n LEU 532 CO 0.00 0.52 0.52 0.58 -1.11 0.00 0.00 177.39 177.90 1p93 h VAL 533 N 0.00 0.00 -1.46 1.96 2.07 -1.96 -2.60 116.25 114.26 1p93 h VAL 533 Ca -0.53 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.43 1p93 h VAL 533 Cb 2.17 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.85 1p93 h VAL 533 CO 0.02 0.00 1.01 0.77 0.02 0.00 0.00 177.57 179.38 1p93 h SER 534 N -0.82 0.13 -0.16 0.57 4.64 -1.99 0.63 113.55 116.55 1p93 h SER 534 Ca -0.08 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1p93 h SER 534 Cb 0.65 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1p93 h SER 534 CO 0.09 -0.06 0.05 0.25 -0.87 0.00 0.00 176.83 176.30 1p93 h LEU 535 N 0.07 0.24 -1.85 5.97 5.85 -1.67 -1.65 115.31 122.26 1p93 h LEU 535 Ca 0.77 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 59.28 1p93 h LEU 535 Cb 2.75 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 43.72 1p93 h LEU 535 CO -0.18 0.38 0.03 -0.07 -0.34 0.00 0.00 178.44 178.26 1p93 h LEU 536 N 0.08 0.00 0.07 2.25 3.38 0.39 -0.45 115.31 121.04 1p93 h LEU 536 Ca 0.05 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.66 1p93 h LEU 536 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1p93 h LEU 536 CO -0.00 0.00 -2.09 1.21 0.09 0.00 0.00 178.44 177.65 1p93 n GLU 537 N -2.49 0.71 0.14 1.13 2.13 -0.92 -3.60 120.64 117.74 1p93 n GLU 537 Ca -0.02 0.23 0.12 0.00 0.66 0.00 0.00 57.16 58.15 1p93 n GLU 537 Cb 0.07 -1.67 0.26 0.00 0.27 0.00 0.00 31.44 30.38 1p93 n GLU 537 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1p93 h VAL 538 N 0.04 0.00 -0.01 6.31 -1.51 -0.52 -2.71 116.25 117.85 1p93 h VAL 538 Ca -0.45 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 1p93 h VAL 538 Cb 2.01 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.77 1p93 h VAL 538 CO 0.04 0.00 -0.33 2.30 -1.23 0.00 0.00 177.57 178.35 1p93 n ILE 539 N -2.56 0.00 -1.89 7.19 -5.35 -0.25 -4.87 119.36 111.64 1p93 n ILE 539 Ca 0.04 -0.12 -0.43 0.00 -0.27 0.00 0.00 62.75 61.97 1p93 n ILE 539 Cb 0.47 0.48 -0.03 0.00 -1.74 0.00 0.00 39.64 38.83 1p93 n ILE 539 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1p93 s GLU 540 N -2.58 3.51 0.86 6.28 2.56 -1.02 -4.77 118.70 123.53 1p93 s GLU 540 Ca 0.21 1.81 -0.14 0.00 0.00 0.00 0.00 54.97 56.85 1p93 s GLU 540 Cb 0.19 -4.19 0.22 0.00 2.00 0.00 0.00 34.13 32.35 1p93 s GLU 540 CO 0.56 -1.65 0.50 -0.35 -0.56 0.00 0.00 175.26 173.76 1p93 n PRO 541 N 8.19 -3.63 -4.41 4.30 -0.04 -1.26 -5.04 135.00 133.11 1p93 n PRO 541 Ca 0.23 -0.84 -0.24 0.00 -0.04 0.00 0.00 63.50 62.61 1p93 n PRO 541 Cb 0.45 -1.11 -0.13 0.00 -0.04 0.00 0.00 33.50 32.67 1p93 n PRO 541 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1p93 s GLU 542 N -4.17 1.21 -0.17 0.54 2.02 -1.26 -5.07 118.70 111.80 1p93 s GLU 542 Ca 0.39 -1.07 -0.40 0.00 0.02 0.00 0.00 54.97 53.91 1p93 s GLU 542 Cb -0.07 -1.42 -0.17 0.00 0.10 0.00 0.00 34.13 32.58 1p93 s GLU 542 CO 0.32 0.34 1.57 1.33 0.02 0.00 0.00 175.26 178.85 1p93 n VAL 543 N 1.37 0.17 -2.88 2.63 0.24 -1.26 -4.92 118.33 113.68 1p93 n VAL 543 Ca -0.19 -0.03 -0.31 0.00 -2.04 0.00 0.00 64.34 61.78 1p93 n VAL 543 Cb 0.53 -0.97 -0.04 0.00 -1.47 0.00 0.00 33.84 31.89 1p93 n VAL 543 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1p93 s LEU 544 N 2.35 3.86 -0.44 1.34 1.43 -1.26 -4.97 118.68 120.99 1p93 s LEU 544 Ca 0.94 1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 55.05 1p93 s LEU 544 Cb -1.08 -4.05 0.03 0.00 0.03 0.00 0.00 46.19 41.13 1p93 s LEU 544 CO 0.61 -0.38 0.42 -0.31 0.23 0.00 0.00 176.35 176.92 1p93 s TYR 545 N -2.32 3.18 0.35 0.29 2.02 -1.26 -4.35 117.35 115.25 1p93 s TYR 545 Ca 0.52 -0.52 0.15 0.00 -0.37 0.00 0.00 57.07 56.85 1p93 s TYR 545 Cb -0.10 -2.93 1.14 0.00 -0.40 0.00 0.00 41.96 39.66 1p93 s TYR 545 CO 0.29 -0.73 1.62 0.00 -1.57 0.00 0.00 175.55 175.17 1p93 h ALA 546 N 8.74 1.92 -0.42 3.71 0.00 -1.91 -3.46 119.26 127.84 1p93 h ALA 546 Ca -0.27 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1p93 h ALA 546 Cb 1.11 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1p93 h ALA 546 CO 0.81 -0.72 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1p93 n GLY 547 N -1.30 0.66 3.76 0.00 0.00 -1.26 -4.83 105.19 102.21 1p93 n GLY 547 Ca 0.33 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1p93 n GLY 547 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1p93 s TYR 548 N -2.42 3.70 -0.05 1.61 6.04 -1.26 -4.99 117.35 119.99 1p93 s TYR 548 Ca 0.00 1.77 -0.24 0.00 0.04 0.00 0.00 57.07 58.64 1p93 s TYR 548 Cb 0.00 -3.19 -0.19 0.00 -1.04 0.00 0.00 41.96 37.54 1p93 s TYR 548 CO 0.00 -0.24 1.04 0.22 -1.54 0.00 0.00 175.55 175.03 1p93 h ASP 549 N 3.91 -0.10 0.00 4.32 3.58 -1.96 -3.47 116.42 122.70 1p93 h ASP 549 Ca -0.46 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 56.52 1p93 h ASP 549 Cb 1.21 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1p93 h ASP 549 CO 0.67 0.46 0.00 -1.54 -2.88 0.00 0.00 179.24 175.95 1p93 n SER 550 N -4.88 0.00 0.00 2.28 3.41 -1.26 -4.57 113.62 108.60 1p93 n SER 550 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1p93 n SER 550 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1p93 n SER 550 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1p93 n SER 551 N 2.26 0.00 -4.60 4.04 7.64 -1.26 -3.26 113.62 118.43 1p93 n SER 551 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1p93 n SER 551 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1p93 n SER 551 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1p93 s VAL 552 N -1.46 3.32 -0.01 0.44 1.01 -1.26 -4.88 120.40 117.56 1p93 s VAL 552 Ca 0.00 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.11 1p93 s VAL 552 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 1p93 s VAL 552 CO 0.00 -0.28 0.51 -2.65 0.00 0.00 0.00 175.10 172.68 1p93 n PRO 553 N 8.55 0.00 -0.59 2.72 -0.02 -1.20 -4.81 135.00 139.64 1p93 n PRO 553 Ca 0.25 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.44 1p93 n PRO 553 Cb 0.46 -0.70 0.19 0.00 -0.02 0.00 0.00 33.50 33.43 1p93 n PRO 553 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1p93 n ASP 554 N 0.75 -2.53 -3.64 2.55 8.00 -1.26 -5.05 116.55 115.37 1p93 n ASP 554 Ca 0.10 -0.23 -0.11 0.00 0.71 0.00 0.00 54.79 55.25 1p93 n ASP 554 Cb 0.03 -0.96 -0.07 0.00 -0.02 0.00 0.00 41.12 40.10 1p93 n ASP 554 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1p93 s SER 555 N -2.00 -0.84 0.20 -2.24 0.15 -1.26 -5.04 113.70 102.67 1p93 s SER 555 Ca 0.55 1.47 -0.14 0.00 0.70 0.00 0.00 55.95 58.54 1p93 s SER 555 Cb -0.12 1.42 0.22 0.00 -1.71 0.00 0.00 66.02 65.83 1p93 s SER 555 CO 0.61 -0.24 1.63 0.74 1.20 0.00 0.00 173.24 177.18 1p93 h THR 556 N 4.47 0.41 0.12 6.45 2.02 -1.97 0.06 112.91 124.46 1p93 h THR 556 Ca -0.29 -0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.61 1p93 h THR 556 Cb 1.19 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1p93 h THR 556 CO 0.10 0.00 -1.30 4.11 0.37 0.00 0.00 175.52 178.81 1p93 h TRP 557 N 0.00 0.44 0.00 3.16 5.08 -1.94 -1.65 115.95 121.05 1p93 h TRP 557 Ca 0.29 -0.32 0.00 0.00 1.08 0.00 0.00 58.89 59.94 1p93 h TRP 557 Cb 0.44 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 1p93 h TRP 557 CO -0.49 1.28 0.00 -0.09 -1.28 0.00 0.00 178.44 177.86 1p93 h ARG 558 N 0.07 0.00 0.03 0.12 2.43 -1.82 -1.38 114.38 113.84 1p93 h ARG 558 Ca -0.15 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.65 1p93 h ARG 558 Cb 1.97 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.47 1p93 h ARG 558 CO 0.19 0.00 -2.25 -0.89 -1.51 0.00 0.00 179.97 175.51 1p93 n ILE 559 N -2.33 1.57 -0.01 1.20 5.41 -0.03 -4.15 119.36 121.01 1p93 n ILE 559 Ca -0.01 -0.67 -0.13 0.00 1.00 0.00 0.00 62.75 62.95 1p93 n ILE 559 Cb 0.09 -1.30 -0.10 0.00 -0.71 0.00 0.00 39.64 37.62 1p93 n ILE 559 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1p93 h MET 560 N 0.02 0.00 -0.59 0.38 2.86 -0.48 -2.91 114.93 114.22 1p93 h MET 560 Ca -0.50 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.21 1p93 h MET 560 Cb 2.01 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.57 1p93 h MET 560 CO -0.00 0.47 -0.52 1.15 1.06 0.00 0.00 176.91 179.07 1p93 h THR 561 N -0.46 0.03 -1.19 2.22 2.02 -1.52 0.66 112.91 114.67 1p93 h THR 561 Ca 0.00 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.53 1p93 h THR 561 Cb 0.47 0.03 -0.11 0.00 -1.74 0.00 0.00 68.15 66.80 1p93 h THR 561 CO 0.00 0.00 0.77 0.74 0.37 0.00 0.00 175.52 177.40 1p93 h THR 562 N -0.26 0.32 -0.12 3.16 2.02 -1.71 0.63 112.91 116.95 1p93 h THR 562 Ca 0.13 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 1p93 h THR 562 Cb 0.55 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1p93 h THR 562 CO -0.70 0.04 -0.26 -0.07 0.37 0.00 0.00 175.52 174.90 1p93 h LEU 563 N 0.22 0.43 -0.35 2.58 3.38 0.48 -1.77 115.31 120.28 1p93 h LEU 563 Ca 0.70 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1p93 h LEU 563 Cb 2.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.68 1p93 h LEU 563 CO -0.34 0.92 0.21 0.78 0.09 0.00 0.00 178.44 180.11 1p93 h ASN 564 N -0.04 0.35 -0.28 -0.43 2.35 0.39 0.70 115.58 118.62 1p93 h ASN 564 Ca 0.00 -0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1p93 h ASN 564 Cb 0.86 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.09 1p93 h ASN 564 CO 0.06 0.26 -0.08 0.24 -1.65 0.00 0.00 177.43 176.25 1p93 h MET 565 N 0.44 -0.02 0.70 0.81 2.86 -1.25 0.33 114.93 118.80 1p93 h MET 565 Ca 0.13 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1p93 h MET 565 Cb -0.02 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.65 1p93 h MET 565 CO -0.05 -0.01 -0.34 1.25 1.06 0.00 0.00 176.91 178.82 1p93 h LEU 566 N -0.02 -0.80 -0.88 1.22 5.85 -0.76 -3.02 115.31 116.90 1p93 h LEU 566 Ca 0.14 0.02 0.21 0.00 0.84 0.00 0.00 57.88 59.08 1p93 h LEU 566 Cb 0.23 0.21 -0.12 0.00 0.37 0.00 0.00 40.66 41.34 1p93 h LEU 566 CO -0.30 -0.54 0.36 1.23 -0.34 0.00 0.00 178.44 178.85 1p93 h GLY 567 N -0.99 1.47 0.80 3.75 0.00 0.84 0.58 103.07 109.52 1p93 h GLY 567 Ca -0.10 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.15 1p93 h GLY 567 CO 0.16 -0.26 0.60 -1.33 0.00 0.00 0.00 176.54 175.71 1p93 h GLY 568 N 0.39 1.37 0.53 4.60 0.00 -0.25 0.11 103.07 109.82 1p93 h GLY 568 Ca 0.54 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1p93 h GLY 568 CO -0.53 0.29 -0.01 3.21 0.00 0.00 0.00 176.54 179.50 1p93 h ARG 569 N 1.04 0.03 -0.49 4.80 3.08 -0.82 -1.43 114.38 120.58 1p93 h ARG 569 Ca 0.41 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.58 1p93 h ARG 569 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1p93 h ARG 569 CO -0.16 0.50 0.43 1.96 -1.07 0.00 0.00 179.97 181.63 1p93 h GLN 570 N -0.45 0.00 0.36 0.04 4.20 -0.58 0.22 115.11 118.90 1p93 h GLN 570 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1p93 h GLN 570 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1p93 h GLN 570 CO 0.00 0.00 -0.17 0.28 -0.67 0.00 0.00 178.83 178.27 1p93 h VAL 571 N 0.00 0.31 -0.91 -0.54 2.07 -0.35 0.09 116.25 116.93 1p93 h VAL 571 Ca 0.23 -0.72 0.23 0.00 0.82 0.00 0.00 66.70 67.27 1p93 h VAL 571 Cb 1.09 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1p93 h VAL 571 CO -0.00 0.07 0.62 0.40 0.02 0.00 0.00 177.57 178.68 1p93 h ILE 572 N -1.03 0.62 -0.13 4.57 2.04 0.02 1.13 117.51 124.73 1p93 h ILE 572 Ca -0.05 -0.09 -0.18 0.00 1.00 0.00 0.00 64.86 65.54 1p93 h ILE 572 Cb 0.49 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1p93 h ILE 572 CO 0.08 0.05 -0.67 0.00 0.00 0.00 0.00 178.15 177.61 1p93 h ALA 573 N 1.59 0.58 -0.62 1.87 0.00 -0.55 -2.89 119.26 119.23 1p93 h ALA 573 Ca 0.46 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1p93 h ALA 573 Cb 1.40 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1p93 h ALA 573 CO -0.13 0.72 0.29 0.00 0.00 0.00 0.00 179.25 180.13 1p93 h ALA 574 N 0.88 1.33 -0.22 0.00 0.00 0.33 0.11 119.26 121.69 1p93 h ALA 574 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1p93 h ALA 574 Cb 1.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1p93 h ALA 574 CO 0.12 0.52 0.06 0.28 0.00 0.00 0.00 179.25 180.23 1p93 h VAL 575 N 0.88 1.21 -0.45 0.00 2.07 -1.00 0.54 116.25 119.51 1p93 h VAL 575 Ca 0.22 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1p93 h VAL 575 Cb 0.11 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1p93 h VAL 575 CO -0.03 0.21 0.19 0.50 0.02 0.00 0.00 177.57 178.47 1p93 h LYS 576 N 0.19 0.38 -0.46 1.57 3.64 -1.25 -1.02 116.57 119.61 1p93 h LYS 576 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1p93 h LYS 576 Cb 0.27 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1p93 h LYS 576 CO 0.00 0.25 0.29 2.35 -2.27 0.00 0.00 179.45 180.07 1p93 h TRP 577 N 0.39 0.60 0.43 1.91 7.01 -0.53 -2.53 115.95 123.23 1p93 h TRP 577 Ca 0.21 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 1p93 h TRP 577 Cb 0.16 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1p93 h TRP 577 CO -0.13 0.40 -0.40 0.00 -2.79 0.00 0.00 178.44 175.52 1p93 h ALA 578 N 1.15 -0.90 -0.85 2.65 0.00 0.81 -1.78 119.26 120.34 1p93 h ALA 578 Ca 0.17 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.17 1p93 h ALA 578 Cb -0.04 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1p93 h ALA 578 CO -0.03 -1.04 0.61 0.87 0.00 0.00 0.00 179.25 179.66 1p93 h LYS 579 N -0.84 0.02 0.00 0.00 1.57 -1.11 0.18 116.57 116.39 1p93 h LYS 579 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1p93 h LYS 579 Cb 0.74 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1p93 h LYS 579 CO -0.05 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.85 1p93 n ALA 580 N -2.69 2.39 -2.57 3.86 0.00 -0.69 -4.44 120.51 116.37 1p93 n ALA 580 Ca 0.18 -0.13 -0.40 0.00 0.00 0.00 0.00 53.44 53.08 1p93 n ALA 580 Cb 0.91 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 1p93 n ALA 580 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1p93 s ILE 581 N -2.60 4.89 0.12 0.00 1.01 0.63 -4.99 121.20 120.26 1p93 s ILE 581 Ca 0.26 1.58 -0.34 0.00 0.00 0.00 0.00 60.65 62.15 1p93 s ILE 581 Cb 0.19 -4.10 -0.14 0.00 0.01 0.00 0.00 42.46 38.42 1p93 s ILE 581 CO 0.43 0.30 1.60 -2.65 0.00 0.00 0.00 174.94 174.62 1p93 n PRO 582 N 3.33 2.08 0.00 2.79 -0.02 -1.26 -1.73 135.00 140.19 1p93 n PRO 582 Ca -0.01 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1p93 n PRO 582 Cb 0.51 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1p93 n PRO 582 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p93 n GLY 583 N 3.48 2.85 0.17 -1.23 0.00 -1.26 -4.87 105.19 104.34 1p93 n GLY 583 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1p93 n GLY 583 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1p93 h PHE 584 N 0.00 -0.32 -0.99 1.61 3.57 -1.64 -2.95 116.94 116.22 1p93 h PHE 584 Ca 0.00 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1p93 h PHE 584 Cb 0.00 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.77 1p93 h PHE 584 CO 0.00 -0.11 0.63 0.00 -2.23 0.00 0.00 178.31 176.60 1p93 h ARG 585 N -0.47 0.98 -0.41 1.11 3.08 -1.78 -1.38 114.38 115.51 1p93 h ARG 585 Ca -0.04 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.02 1p93 h ARG 585 Cb 0.36 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1p93 h ARG 585 CO 0.06 0.65 0.28 -0.91 -1.07 0.00 0.00 179.97 178.97 1p93 h ASN 586 N 1.01 0.25 -2.78 7.04 -0.26 -1.89 -3.43 115.58 115.51 1p93 h ASN 586 Ca 0.47 0.00 -0.47 0.00 -0.56 0.00 0.00 56.30 55.75 1p93 h ASN 586 Cb 0.43 -0.05 0.23 0.00 -1.06 0.00 0.00 38.32 37.86 1p93 h ASN 586 CO -0.24 0.16 -0.72 0.18 -1.06 0.00 0.00 177.43 175.76 1p93 n LEU 587 N -4.47 -1.52 -4.71 1.61 4.77 -0.52 -4.89 117.00 107.27 1p93 n LEU 587 Ca 0.05 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1p93 n LEU 587 Cb 0.27 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.25 1p93 n LEU 587 CO 0.35 -3.19 0.72 -2.28 -1.33 0.00 0.00 177.39 171.66 1p93 s HIS 588 N -2.32 3.60 0.28 -1.77 5.65 -1.26 -4.89 115.29 114.59 1p93 s HIS 588 Ca 0.59 1.63 0.01 0.00 0.25 0.00 0.00 55.06 57.54 1p93 s HIS 588 Cb -0.17 -3.17 0.68 0.00 -1.18 0.00 0.00 32.58 28.74 1p93 s HIS 588 CO 0.66 -0.20 1.64 1.25 -0.65 0.00 0.00 174.74 177.44 1p93 h LEU 589 N 7.04 -0.05 -2.27 8.88 6.46 -1.90 0.30 115.31 133.77 1p93 h LEU 589 Ca -0.39 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1p93 h LEU 589 Cb 1.21 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.42 1p93 h LEU 589 CO 0.78 -0.16 0.06 0.44 -0.62 0.00 0.00 178.44 178.94 1p93 h ASP 590 N 0.19 0.00 0.18 1.25 3.32 -1.97 2.38 116.42 121.78 1p93 h ASP 590 Ca 0.54 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.24 1p93 h ASP 590 Cb 1.07 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 1p93 h ASP 590 CO -0.66 0.00 -2.09 0.47 -1.72 0.00 0.00 179.24 175.24 1p93 n ASP 591 N -2.75 1.25 0.05 6.45 8.00 0.95 -2.96 116.55 127.54 1p93 n ASP 591 Ca -0.02 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 1p93 n ASP 591 Cb 0.12 -0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1p93 n ASP 591 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1p93 h GLN 592 N 0.02 -0.11 -0.38 -1.24 4.20 0.89 -1.25 115.11 117.24 1p93 h GLN 592 Ca -0.44 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.34 1p93 h GLN 592 Cb 2.05 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.84 1p93 h GLN 592 CO 0.04 0.18 0.26 1.98 -0.67 0.00 0.00 178.83 180.62 1p93 h MET 593 N -0.42 0.23 0.00 1.46 4.05 0.37 -2.65 114.93 117.97 1p93 h MET 593 Ca -0.01 -0.01 -0.20 0.00 -0.28 0.00 0.00 59.70 59.19 1p93 h MET 593 Cb 0.35 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 1p93 h MET 593 CO 0.02 0.16 -1.36 1.79 0.23 0.00 0.00 176.91 177.75 1p93 h THR 594 N 0.24 0.78 -0.18 -0.77 1.35 -1.41 -3.33 112.91 109.59 1p93 h THR 594 Ca 0.17 -2.39 -0.01 0.00 -0.55 0.00 0.00 66.41 63.62 1p93 h THR 594 Cb 0.36 2.29 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 1p93 h THR 594 CO -0.03 0.44 0.07 -0.07 -0.25 0.00 0.00 175.52 175.68 1p93 h LEU 595 N 0.00 0.22 -0.05 3.87 3.38 -0.86 -0.99 115.31 120.90 1p93 h LEU 595 Ca -0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1p93 h LEU 595 Cb 1.72 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1p93 h LEU 595 CO 0.07 0.21 0.00 -0.07 0.09 0.00 0.00 178.44 178.74 1p93 h LEU 596 N 0.26 0.00 -0.48 1.67 3.38 -1.67 -3.31 115.31 115.16 1p93 h LEU 596 Ca 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1p93 h LEU 596 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1p93 h LEU 596 CO -0.01 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.09 1p93 h GLN 597 N 0.00 0.84 0.00 1.13 4.20 -1.28 -3.10 115.11 116.91 1p93 h GLN 597 Ca 0.00 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1p93 h GLN 597 Cb 0.98 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1p93 h GLN 597 CO 0.00 0.88 -0.01 -0.92 -0.67 0.00 0.00 178.83 178.11 1p93 h TYR 598 N 0.69 0.00 0.00 2.96 3.20 -1.68 -3.40 116.97 118.74 1p93 h TYR 598 Ca 0.14 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1p93 h TYR 598 Cb 0.50 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1p93 h TYR 598 CO 0.04 0.00 0.02 -1.13 -1.64 0.00 0.00 178.16 175.45 1p93 n SER 599 N -2.24 0.00 -0.26 -2.11 3.41 -1.25 -3.55 113.62 107.63 1p93 n SER 599 Ca -0.00 0.07 -0.07 0.00 -0.26 0.00 0.00 58.87 58.61 1p93 n SER 599 Cb 0.01 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1p93 n SER 599 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1p93 h TRP 600 N 0.00 1.14 0.00 7.33 5.08 -1.76 0.19 115.95 127.94 1p93 h TRP 600 Ca 0.00 -0.11 -0.08 0.00 1.08 0.00 0.00 58.89 59.78 1p93 h TRP 600 Cb 0.04 -0.33 -0.01 0.00 -3.00 0.00 0.00 29.16 25.86 1p93 h TRP 600 CO 0.00 0.90 -0.40 1.98 -1.28 0.00 0.00 178.44 179.64 1p93 h MET 601 N 1.05 0.00 -0.47 0.12 -1.53 -1.88 0.89 114.93 113.11 1p93 h MET 601 Ca 0.23 0.00 -0.12 0.00 -3.44 0.00 0.00 59.70 56.38 1p93 h MET 601 Cb 0.28 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.32 1p93 h MET 601 CO -0.01 0.40 -0.16 1.03 0.14 0.00 0.00 176.91 178.30 1p93 h SER 602 N 0.00 0.96 0.39 1.39 0.87 -1.54 -0.79 113.55 114.83 1p93 h SER 602 Ca -0.00 -0.38 -0.32 0.00 -1.23 0.00 0.00 61.79 59.86 1p93 h SER 602 Cb 0.74 -0.26 0.03 0.00 -0.44 0.00 0.00 62.40 62.46 1p93 h SER 602 CO 0.05 1.13 -1.41 -0.07 -0.53 0.00 0.00 176.83 175.99 1p93 h LEU 603 N 0.79 0.70 -1.02 2.23 3.38 -0.27 -2.83 115.31 118.30 1p93 h LEU 603 Ca 0.11 -0.76 -0.04 0.00 0.09 0.00 0.00 57.88 57.28 1p93 h LEU 603 Cb 0.73 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1p93 h LEU 603 CO 0.06 1.60 0.23 0.24 0.09 0.00 0.00 178.44 180.66 1p93 h MET 604 N 0.12 0.94 0.00 1.13 2.86 -0.77 -1.83 114.93 117.38 1p93 h MET 604 Ca -0.22 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.18 1p93 h MET 604 Cb 2.11 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 33.60 1p93 h MET 604 CO 0.25 0.78 -0.39 0.00 1.06 0.00 0.00 176.91 178.61 1p93 h ALA 605 N 1.34 0.80 0.08 6.32 0.00 -1.22 -2.96 119.26 123.61 1p93 h ALA 605 Ca 0.21 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1p93 h ALA 605 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1p93 h ALA 605 CO -0.02 0.48 -0.04 0.35 0.00 0.00 0.00 179.25 180.03 1p93 h PHE 606 N 0.00 -0.09 -0.62 0.00 3.57 -1.22 -2.96 116.94 115.62 1p93 h PHE 606 Ca -0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1p93 h PHE 606 Cb 1.19 0.03 -0.11 0.00 2.79 0.00 0.00 35.95 39.85 1p93 h PHE 606 CO 0.00 0.27 -0.48 0.00 -2.23 0.00 0.00 178.31 175.87 1p93 h ALA 607 N -0.60 -0.43 -0.53 2.41 0.00 -1.44 -1.13 119.26 117.53 1p93 h ALA 607 Ca -0.01 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1p93 h ALA 607 Cb 0.41 1.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.16 1p93 h ALA 607 CO 0.02 -0.89 -0.20 1.25 0.00 0.00 0.00 179.25 179.43 1p93 h LEU 608 N -0.22 -0.72 -2.44 0.00 5.85 -1.63 0.64 115.31 116.79 1p93 h LEU 608 Ca 0.16 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 1p93 h LEU 608 Cb 0.55 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1p93 h LEU 608 CO -0.72 -0.23 -0.01 1.23 -0.34 0.00 0.00 178.44 178.36 1p93 h GLY 609 N -0.08 0.00 0.37 3.75 0.00 -1.05 -0.29 103.07 105.77 1p93 h GLY 609 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1p93 h GLY 609 CO -0.58 0.00 -0.11 -0.25 0.00 0.00 0.00 176.54 175.59 1p93 h TRP 610 N 0.00 -0.29 -0.01 5.60 2.91 -0.17 -0.66 115.95 123.33 1p93 h TRP 610 Ca -0.00 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.01 1p93 h TRP 610 Cb 0.04 0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.79 1p93 h TRP 610 CO 0.00 0.05 0.07 0.00 -1.03 0.00 0.00 178.44 177.53 1p93 h ARG 611 N -0.95 0.00 0.18 2.65 3.08 -0.52 0.27 114.38 119.10 1p93 h ARG 611 Ca -0.03 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.69 1p93 h ARG 611 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.54 1p93 h ARG 611 CO 0.05 0.00 -1.60 0.77 -1.07 0.00 0.00 179.97 178.12 1p93 h SER 612 N 0.00 0.61 0.24 7.04 0.02 -1.01 -3.28 113.55 117.17 1p93 h SER 612 Ca 0.00 -0.92 -0.04 0.00 -0.84 0.00 0.00 61.79 59.99 1p93 h SER 612 Cb 0.13 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1p93 h SER 612 CO -0.00 1.73 -0.19 0.22 -1.14 0.00 0.00 176.83 177.45 1p93 h TYR 613 N 0.02 0.00 0.00 3.45 3.20 0.43 -2.84 116.97 121.23 1p93 h TYR 613 Ca -0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.56 1p93 h TYR 613 Cb 2.03 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.30 1p93 h TYR 613 CO 0.12 0.19 0.04 0.54 -1.64 0.00 0.00 178.16 177.40 1p93 n ARG 614 N -4.12 0.00 0.00 1.82 3.00 -0.07 -4.37 116.66 112.92 1p93 n ARG 614 Ca -0.02 0.13 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 1p93 n ARG 614 Cb 0.26 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1p93 n ARG 614 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p93 n GLN 615 N -1.05 0.00 -1.99 5.56 0.00 -1.24 -5.10 117.38 113.56 1p93 n GLN 615 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.00 56.62 1p93 n GLN 615 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.25 1p93 n GLN 615 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1p93 s SER 616 N 0.00 5.22 -0.06 2.61 0.15 -1.07 -4.80 113.70 115.75 1p93 s SER 616 Ca 0.00 0.45 0.16 0.00 0.70 0.00 0.00 55.95 57.26 1p93 s SER 616 Cb 0.00 -2.53 -0.22 0.00 -1.71 0.00 0.00 66.02 61.57 1p93 s SER 616 CO 0.00 -2.40 0.53 -1.20 1.20 0.00 0.00 173.24 171.37 1p93 n SER 617 N 12.95 0.55 0.16 5.45 7.64 -1.26 -3.61 113.62 135.50 1p93 n SER 617 Ca 0.22 0.25 0.10 0.00 1.01 0.00 0.00 58.87 60.45 1p93 n SER 617 Cb 0.52 0.47 0.53 0.00 -1.01 0.00 0.00 64.21 64.72 1p93 n SER 617 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p93 n ALA 618 N -2.54 0.93 0.00 -0.43 0.00 -1.26 -4.73 120.51 112.48 1p93 n ALA 618 Ca -0.18 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1p93 n ALA 618 Cb 0.98 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1p93 n ALA 618 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p93 n ASN 619 N -2.20 0.00 0.00 0.00 3.02 -1.24 -5.03 115.26 109.81 1p93 n ASN 619 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1p93 n ASN 619 Cb 0.11 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1p93 n ASN 619 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1p93 n LEU 620 N 0.00 0.00 -4.86 3.41 4.77 -1.26 -4.90 117.00 114.15 1p93 n LEU 620 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1p93 n LEU 620 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1p93 n LEU 620 CO 0.00 0.00 -0.01 -0.76 -1.33 0.00 0.00 177.39 175.29 1p93 s LEU 621 N 0.00 4.41 -0.44 2.23 1.43 -1.09 -4.76 118.68 120.46 1p93 s LEU 621 Ca 0.00 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1p93 s LEU 621 Cb 0.00 -2.54 0.13 0.00 0.03 0.00 0.00 46.19 43.81 1p93 s LEU 621 CO 0.00 0.30 0.22 0.00 0.23 0.00 0.00 176.35 177.10 1p93 h PHE 623 N 6.85 0.54 -3.18 0.00 0.04 -1.91 -3.44 116.94 115.84 1p93 h PHE 623 Ca -0.04 -0.39 -0.06 0.00 2.80 0.00 0.00 57.97 60.27 1p93 h PHE 623 Cb 0.93 -0.02 -0.15 0.00 2.20 0.00 0.00 35.95 38.91 1p93 h PHE 623 CO 0.48 1.30 -0.07 0.00 -0.60 0.00 0.00 178.31 179.41 1p93 s ALA 624 N -2.69 -1.01 -0.76 2.45 0.00 -1.01 -4.82 121.76 113.93 1p93 s ALA 624 Ca -0.04 0.16 0.14 0.00 0.00 0.00 0.00 51.96 52.21 1p93 s ALA 624 Cb 0.07 0.52 0.61 0.00 0.00 0.00 0.00 23.12 24.33 1p93 s ALA 624 CO 0.89 -0.55 1.42 -2.30 0.00 0.00 0.00 175.76 175.21 1p93 n PRO 625 N 0.13 0.06 -0.09 0.00 -0.02 -1.26 -1.71 135.00 132.11 1p93 n PRO 625 Ca -0.17 0.42 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 1p93 n PRO 625 Cb 0.62 -1.65 0.08 0.00 -0.02 0.00 0.00 33.50 32.52 1p93 n PRO 625 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1p93 n ASP 626 N -1.78 2.45 -3.28 2.55 3.85 -1.26 -4.89 116.55 114.20 1p93 n ASP 626 Ca 0.01 -2.11 -0.06 0.00 -0.71 0.00 0.00 54.79 51.93 1p93 n ASP 626 Cb 0.12 -0.13 -0.05 0.00 -1.35 0.00 0.00 41.12 39.70 1p93 n ASP 626 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1p93 s LEU 627 N -1.18 -0.94 0.15 -2.12 2.96 -0.69 -4.49 118.68 112.37 1p93 s LEU 627 Ca 0.12 -0.05 0.11 0.00 -0.22 0.00 0.00 54.13 54.09 1p93 s LEU 627 Cb 0.08 1.35 -0.04 0.00 0.50 0.00 0.00 46.19 48.07 1p93 s LEU 627 CO 0.06 -0.33 -0.25 -0.63 -1.32 0.00 0.00 176.35 173.88 1p93 s ILE 628 N 2.62 2.27 -0.40 6.68 1.09 -1.26 -2.39 121.20 129.81 1p93 s ILE 628 Ca 0.11 -1.86 -0.06 0.00 -1.10 0.00 0.00 60.65 57.74 1p93 s ILE 628 Cb -0.13 -2.03 0.08 0.00 -1.06 0.00 0.00 42.46 39.32 1p93 s ILE 628 CO -0.26 -0.01 0.20 -0.63 -0.10 0.00 0.00 174.94 174.15 1p93 s ILE 629 N -1.33 3.75 0.53 2.92 1.01 -0.19 -5.00 121.20 122.89 1p93 s ILE 629 Ca 0.16 -1.58 0.02 0.00 0.00 0.00 0.00 60.65 59.26 1p93 s ILE 629 Cb -0.09 -3.35 0.10 0.00 0.01 0.00 0.00 42.46 39.13 1p93 s ILE 629 CO 0.07 -0.49 0.73 -0.46 0.00 0.00 0.00 174.94 174.79 1p93 n ASN 630 N 4.78 1.25 0.00 3.58 0.23 -1.26 -2.67 115.26 121.17 1p93 n ASN 630 Ca -0.08 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 1p93 n ASN 630 Cb 0.43 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 1p93 n ASN 630 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1p93 n GLU 631 N -2.29 0.00 0.00 -3.83 -0.00 -1.26 -0.75 120.64 112.52 1p93 n GLU 631 Ca 0.13 0.44 0.04 0.00 -0.00 0.00 0.00 57.16 57.76 1p93 n GLU 631 Cb 0.46 -0.90 0.23 0.00 -0.00 0.00 0.00 31.44 31.23 1p93 n GLU 631 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1p93 n GLN 632 N -0.90 0.36 0.00 3.44 0.00 -1.26 -0.71 117.38 118.30 1p93 n GLN 632 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.00 57.11 1p93 n GLN 632 Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 30.24 28.86 1p93 n GLN 632 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1p93 n ARG 633 N -0.83 0.75 -0.07 2.61 0.63 0.07 -3.65 116.66 116.17 1p93 n ARG 633 Ca 0.06 -0.62 -0.05 0.00 -0.92 0.00 0.00 57.85 56.31 1p93 n ARG 633 Cb 0.03 -1.49 -0.16 0.00 0.45 0.00 0.00 32.46 31.29 1p93 n ARG 633 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1p93 n MET 634 N -0.58 0.68 0.00 -0.14 1.56 0.11 -4.13 117.12 114.62 1p93 n MET 634 Ca 0.07 -0.01 0.08 0.00 -0.27 0.00 0.00 57.70 57.57 1p93 n MET 634 Cb 0.42 -1.55 0.40 0.00 2.15 0.00 0.00 33.22 34.64 1p93 n MET 634 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1p93 n THR 635 N -2.68 0.50 -0.54 1.12 -2.24 -0.98 -2.92 114.28 106.55 1p93 n THR 635 Ca -0.25 0.13 -0.30 0.00 -2.27 0.00 0.00 64.05 61.35 1p93 n THR 635 Cb 1.02 -0.87 0.28 0.00 -2.10 0.00 0.00 70.33 68.66 1p93 n THR 635 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1p93 s LEU 636 N -2.52 -0.56 -0.01 3.22 1.02 -1.26 -4.88 118.68 113.69 1p93 s LEU 636 Ca 0.16 0.86 -0.30 0.00 0.02 0.00 0.00 54.13 54.87 1p93 s LEU 636 Cb 0.11 -2.39 -0.06 0.00 0.02 0.00 0.00 46.19 43.87 1p93 s LEU 636 CO 0.23 -5.01 1.47 -2.84 0.02 0.00 0.00 176.35 170.22 1p93 s PRO 637 N -5.09 4.25 -1.47 1.29 0.02 -1.26 -3.35 135.00 129.39 1p93 s PRO 637 Ca 0.69 2.04 -0.11 0.00 0.02 0.00 0.00 61.00 63.64 1p93 s PRO 637 Cb -0.13 -3.65 0.06 0.00 0.02 0.00 0.00 34.50 30.79 1p93 s PRO 637 CO 0.58 -0.65 0.89 -0.25 -0.33 0.00 0.00 177.00 177.24 1p93 n ASP 638 N 5.76 -5.20 -0.06 2.53 8.00 -1.26 -4.87 116.55 121.45 1p93 n ASP 638 Ca 0.14 -0.59 -0.04 0.00 0.71 0.00 0.00 54.79 55.02 1p93 n ASP 638 Cb 0.43 -4.16 -0.01 0.00 -0.02 0.00 0.00 41.12 37.35 1p93 n ASP 638 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1p93 h MET 639 N -1.92 0.00 0.00 -1.24 4.05 -1.70 -3.38 114.93 110.74 1p93 h MET 639 Ca -0.55 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 58.82 1p93 h MET 639 Cb 1.36 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.15 1p93 h MET 639 CO 0.61 0.00 -0.26 -0.92 0.23 0.00 0.00 176.91 176.58 1p93 h TYR 640 N -0.89 0.00 0.00 1.39 3.20 -1.80 0.81 116.97 119.68 1p93 h TYR 640 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1p93 h TYR 640 Cb 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1p93 h TYR 640 CO -0.17 0.26 0.34 -3.47 -1.64 0.00 0.00 178.16 173.47 1p93 n ASP 641 N -4.15 0.28 0.00 -2.11 -0.08 -1.26 -0.52 116.55 108.72 1p93 n ASP 641 Ca -0.02 0.50 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 1p93 n ASP 641 Cb 0.31 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.34 1p93 n ASP 641 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1p93 n GLN 642 N -1.96 0.86 0.03 -0.67 10.64 -0.64 -4.73 117.38 120.91 1p93 n GLN 642 Ca -0.01 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.28 1p93 n GLN 642 Cb 0.35 -0.07 0.16 0.00 -0.86 0.00 0.00 30.24 29.82 1p93 n GLN 642 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1p93 h LYS 644 N 0.00 -0.06 -0.58 0.00 2.10 -1.03 -1.57 116.57 115.43 1p93 h LYS 644 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.69 1p93 h LYS 644 Cb 0.65 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.95 1p93 h LYS 644 CO 0.00 -0.04 0.33 0.45 -2.00 0.00 0.00 179.45 178.19 1p93 h HIS 645 N -0.07 0.61 -0.33 0.07 3.86 -1.82 -2.85 115.15 114.62 1p93 h HIS 645 Ca 0.16 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.28 1p93 h HIS 645 Cb 0.31 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1p93 h HIS 645 CO -0.33 0.33 -0.24 0.52 0.86 0.00 0.00 177.93 179.06 1p93 h MET 646 N 0.64 0.66 0.00 2.45 2.86 -1.57 -1.74 114.93 118.22 1p93 h MET 646 Ca 0.24 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1p93 h MET 646 Cb 0.09 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1p93 h MET 646 CO -0.13 0.84 -0.04 -0.07 1.06 0.00 0.00 176.91 178.56 1p93 h LEU 647 N 0.57 0.00 0.04 1.22 -0.00 -1.11 -1.21 115.31 114.81 1p93 h LEU 647 Ca 0.08 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.98 1p93 h LEU 647 Cb 0.72 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.35 1p93 h LEU 647 CO 0.06 0.04 -0.15 0.22 -0.00 0.00 0.00 178.44 178.61 1p93 h TYR 648 N 0.00 -0.38 0.00 1.13 3.20 -1.09 -0.10 116.97 119.73 1p93 h TYR 648 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1p93 h TYR 648 Cb 0.24 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1p93 h TYR 648 CO 0.00 -0.22 0.00 0.28 -1.64 0.00 0.00 178.16 176.58 1p93 n VAL 649 N -5.27 0.00 -0.34 1.81 0.31 -0.46 -1.14 118.33 113.24 1p93 n VAL 649 Ca -0.06 1.42 0.27 0.00 -0.01 0.00 0.00 64.34 65.96 1p93 n VAL 649 Cb 0.19 -2.21 0.58 0.00 -0.91 0.00 0.00 33.84 31.49 1p93 n VAL 649 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1p93 h SER 650 N 0.00 0.32 -0.28 4.52 4.64 -1.55 0.53 113.55 121.73 1p93 h SER 650 Ca 0.00 0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 1p93 h SER 650 Cb 0.00 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1p93 h SER 650 CO 0.00 0.04 -0.25 0.77 -0.87 0.00 0.00 176.83 176.51 1p93 h SER 651 N 0.27 0.79 0.10 4.97 4.64 -0.65 0.71 113.55 124.39 1p93 h SER 651 Ca 0.61 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1p93 h SER 651 Cb 1.80 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1p93 h SER 651 CO -0.25 1.01 -0.05 -0.33 -0.87 0.00 0.00 176.83 176.34 1p93 h GLU 652 N 0.67 -0.13 -0.64 4.77 3.07 0.13 -0.34 114.58 122.11 1p93 h GLU 652 Ca 0.09 0.01 0.14 0.00 -0.50 0.00 0.00 59.36 59.10 1p93 h GLU 652 Cb 0.77 0.03 -0.12 0.00 -0.84 0.00 0.00 28.75 28.59 1p93 h GLU 652 CO 0.06 -0.09 -0.11 -0.11 -1.40 0.00 0.00 179.01 177.36 1p93 n LEU 653 N -2.81 -0.19 0.00 1.33 7.94 0.14 0.10 117.00 123.52 1p93 n LEU 653 Ca -0.02 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 1p93 n LEU 653 Cb 0.05 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.66 1p93 n LEU 653 CO 0.04 -1.07 0.35 1.57 -1.11 0.00 0.00 177.39 177.18 1p93 n HIS 654 N -4.99 0.00 -0.22 1.96 -0.00 0.25 -2.99 115.22 109.23 1p93 n HIS 654 Ca 0.11 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.35 1p93 n HIS 654 Cb 0.36 -0.20 0.11 0.00 -0.12 0.00 0.00 29.99 30.15 1p93 n HIS 654 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1p93 n ARG 655 N -1.20 -0.06 0.00 1.57 0.63 0.29 0.69 116.66 118.58 1p93 n ARG 655 Ca 0.00 0.97 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 1p93 n ARG 655 Cb 0.00 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.43 1p93 n ARG 655 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1p93 n LEU 656 N -4.98 0.24 -3.73 6.15 7.99 0.19 -4.89 117.00 117.97 1p93 n LEU 656 Ca 0.11 -0.12 -0.22 0.00 -0.01 0.00 0.00 56.01 55.78 1p93 n LEU 656 Cb 0.36 -0.12 -0.05 0.00 -0.11 0.00 0.00 43.42 43.49 1p93 n LEU 656 CO -0.07 0.06 -0.29 0.00 -1.51 0.00 0.00 177.39 175.58 1p93 n GLN 657 N -0.38 -0.90 -2.26 3.23 1.13 0.22 -4.82 117.38 113.60 1p93 n GLN 657 Ca 0.00 0.03 -0.37 0.00 -1.94 0.00 0.00 57.00 54.72 1p93 n GLN 657 Cb 0.06 -2.20 -0.01 0.00 0.11 0.00 0.00 30.24 28.20 1p93 n GLN 657 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1p93 s VAL 658 N -3.93 3.11 0.36 5.09 1.01 -1.21 -5.04 120.40 119.79 1p93 s VAL 658 Ca 0.04 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.90 1p93 s VAL 658 Cb -0.02 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1p93 s VAL 658 CO 0.65 0.01 0.54 -0.94 0.00 0.00 0.00 175.10 175.36 1p93 s SER 659 N -1.31 6.09 0.47 3.32 1.04 -1.26 -4.93 113.70 117.12 1p93 s SER 659 Ca 0.62 0.21 0.18 0.00 0.48 0.00 0.00 55.95 57.45 1p93 s SER 659 Cb -0.29 -1.70 1.18 0.00 0.10 0.00 0.00 66.02 65.31 1p93 s SER 659 CO 0.35 -0.41 1.99 0.22 0.98 0.00 0.00 173.24 176.37 1p93 h TYR 660 N 0.74 0.26 0.06 5.02 3.20 -1.99 0.15 116.97 124.41 1p93 h TYR 660 Ca -0.48 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.39 1p93 h TYR 660 Cb 1.24 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1p93 h TYR 660 CO 0.47 0.12 -0.03 0.93 -1.64 0.00 0.00 178.16 178.01 1p93 h GLU 661 N 0.24 -0.07 -0.73 1.82 5.08 -1.98 -1.71 114.58 117.23 1p93 h GLU 661 Ca 0.27 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.76 1p93 h GLU 661 Cb 0.73 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.91 1p93 h GLU 661 CO -0.05 0.52 0.30 0.93 -1.00 0.00 0.00 179.01 179.71 1p93 h GLU 662 N -0.75 0.46 0.52 2.33 5.08 -1.76 -1.66 114.58 118.80 1p93 h GLU 662 Ca -0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1p93 h GLU 662 Cb 0.62 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1p93 h GLU 662 CO 0.01 0.30 -0.47 -0.92 -1.00 0.00 0.00 179.01 176.94 1p93 h TYR 663 N 0.47 -1.28 -0.79 4.33 3.20 -0.98 -1.82 116.97 120.10 1p93 h TYR 663 Ca 0.39 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.42 1p93 h TYR 663 Cb 0.54 0.49 -0.15 0.00 1.54 0.00 0.00 36.73 39.15 1p93 h TYR 663 CO -0.15 -0.64 -0.23 -0.07 -1.64 0.00 0.00 178.16 175.43 1p93 h LEU 664 N -0.98 -0.83 0.33 2.82 3.38 -0.50 0.43 115.31 119.96 1p93 h LEU 664 Ca -0.06 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1p93 h LEU 664 Cb 0.84 0.52 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1p93 h LEU 664 CO -0.04 -0.27 -0.16 0.00 0.09 0.00 0.00 178.44 178.06 1p93 h MET 666 N -0.58 0.75 -0.87 0.00 2.86 -0.69 -0.15 114.93 116.25 1p93 h MET 666 Ca -0.05 -0.05 0.21 0.00 -2.06 0.00 0.00 59.70 57.76 1p93 h MET 666 Cb 0.43 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 1p93 h MET 666 CO 0.07 0.50 0.59 -0.22 1.06 0.00 0.00 176.91 178.91 1p93 h LYS 667 N 0.77 0.27 0.10 1.72 3.64 0.12 0.15 116.57 123.34 1p93 h LYS 667 Ca 0.33 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.53 1p93 h LYS 667 Cb 0.20 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1p93 h LYS 667 CO -0.19 0.18 -0.70 1.15 -2.27 0.00 0.00 179.45 177.62 1p93 h THR 668 N 0.28 1.51 0.00 1.00 2.02 -0.40 -3.09 112.91 114.22 1p93 h THR 668 Ca 0.44 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1p93 h THR 668 Cb 1.28 3.06 0.00 0.00 -1.74 0.00 0.00 68.15 70.75 1p93 h THR 668 CO -0.12 0.68 0.06 -0.07 0.37 0.00 0.00 175.52 176.44 1p93 h LEU 669 N -0.34 0.00 -0.65 2.58 3.38 -0.00 0.55 115.31 120.83 1p93 h LEU 669 Ca -0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1p93 h LEU 669 Cb 1.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1p93 h LEU 669 CO 0.13 0.00 -0.25 -0.07 0.09 0.00 0.00 178.44 178.35 1p93 h LEU 670 N 0.00 0.00 -0.54 1.67 3.38 -0.72 -2.81 115.31 116.29 1p93 h LEU 670 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1p93 h LEU 670 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1p93 h LEU 670 CO 0.00 0.25 -0.10 0.25 0.09 0.00 0.00 178.44 178.93 1p93 h LEU 671 N 0.00 1.02 -5.34 1.67 6.46 0.01 -2.89 115.31 116.24 1p93 h LEU 671 Ca -0.00 -0.35 -0.75 0.00 -0.12 0.00 0.00 57.88 56.66 1p93 h LEU 671 Cb 0.95 -0.28 -0.25 0.00 -0.73 0.00 0.00 40.66 40.35 1p93 h LEU 671 CO 0.03 1.13 1.06 0.18 -0.62 0.00 0.00 178.44 180.22 1p93 n LEU 672 N -4.17 7.40 0.01 2.25 4.77 -1.07 -4.48 117.00 121.70 1p93 n LEU 672 Ca 0.01 -4.91 -0.22 0.00 -0.03 0.00 0.00 56.01 50.87 1p93 n LEU 672 Cb 0.40 -1.13 -0.14 0.00 -2.33 0.00 0.00 43.42 40.21 1p93 n LEU 672 CO 0.45 1.86 -0.49 0.28 -1.33 0.00 0.00 177.39 178.16 1p93 h SER 673 N 3.44 0.39 -4.65 -1.43 0.02 -1.43 -3.48 113.55 106.41 1p93 h SER 673 Ca 0.55 -0.86 -0.26 0.00 -0.84 0.00 0.00 61.79 60.38 1p93 h SER 673 Cb 0.20 -0.13 -0.15 0.00 0.14 0.00 0.00 62.40 62.47 1p93 h SER 673 CO 1.30 1.66 -0.67 -0.44 -1.14 0.00 0.00 176.83 177.54 1p93 s SER 674 N -7.05 1.08 0.20 3.07 0.01 -1.26 -1.13 113.70 108.62 1p93 s SER 674 Ca -0.20 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 55.94 1p93 s SER 674 Cb 0.05 0.14 -0.05 0.00 0.21 0.00 0.00 66.02 66.37 1p93 s SER 674 CO 0.76 -0.57 0.03 0.68 0.41 0.00 0.00 173.24 174.55 1p93 s VAL 675 N -3.70 0.69 0.00 3.43 -7.23 0.14 -4.85 120.40 108.88 1p93 s VAL 675 Ca 0.21 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1p93 s VAL 675 Cb 0.06 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.72 1p93 s VAL 675 CO 0.02 -0.33 0.21 -2.65 -0.31 0.00 0.00 175.10 172.03 1p93 n PRO 676 N -0.32 0.00 0.00 4.82 -0.02 -1.26 0.21 135.00 138.43 1p93 n PRO 676 Ca -0.05 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1p93 n PRO 676 Cb 0.64 -0.71 0.00 0.00 -0.02 0.00 0.00 33.50 33.41 1p93 n PRO 676 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1p93 n LYS 677 N -0.34 0.00 -2.74 -0.52 3.00 -1.19 0.21 118.16 116.57 1p93 n LYS 677 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.13 1p93 n LYS 677 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1p93 n LYS 677 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1p93 n ASP 678 N 0.00 2.73 -0.63 3.14 8.00 -1.26 -4.99 116.55 123.54 1p93 n ASP 678 Ca 0.00 -3.20 0.07 0.00 0.71 0.00 0.00 54.79 52.37 1p93 n ASP 678 Cb 0.00 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.55 1p93 n ASP 678 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p93 n GLY 679 N -0.15 -0.78 3.53 0.44 0.00 -1.26 -4.94 105.19 102.04 1p93 n GLY 679 Ca 0.24 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1p93 n GLY 679 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p93 s LEU 680 N -3.65 2.82 0.48 0.99 1.43 -1.26 -4.65 118.68 114.84 1p93 s LEU 680 Ca 0.00 -0.77 0.29 0.00 -1.03 0.00 0.00 54.13 52.61 1p93 s LEU 680 Cb 0.00 -1.43 1.36 0.00 0.03 0.00 0.00 46.19 46.16 1p93 s LEU 680 CO 0.00 0.06 1.78 0.11 0.23 0.00 0.00 176.35 178.54 1p93 h LYS 681 N 2.53 0.16 -1.36 1.70 6.56 -1.93 -0.25 116.57 123.99 1p93 h LYS 681 Ca -0.44 -0.01 -0.57 0.00 -1.06 0.00 0.00 60.65 58.57 1p93 h LYS 681 Cb 1.23 -0.04 -0.42 0.00 -0.57 0.00 0.00 32.23 32.44 1p93 h LYS 681 CO 0.56 0.11 -0.78 0.43 -2.06 0.00 0.00 179.45 177.71 1p93 n SER 682 N -4.39 4.49 -0.35 0.86 7.64 -1.26 -4.86 113.62 115.75 1p93 n SER 682 Ca 0.26 -3.64 0.11 0.00 1.01 0.00 0.00 58.87 56.61 1p93 n SER 682 Cb 1.10 -0.45 0.29 0.00 -1.01 0.00 0.00 64.21 64.14 1p93 n SER 682 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1p93 h GLN 683 N 2.55 0.79 0.00 1.43 5.75 -1.43 -2.20 115.11 122.01 1p93 h GLN 683 Ca 0.28 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1p93 h GLN 683 Cb 1.03 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.40 1p93 h GLN 683 CO 0.81 0.53 0.00 -0.85 -2.65 0.00 0.00 178.83 176.66 1p93 n GLU 684 N -4.74 0.00 -0.32 1.69 -0.00 -1.26 -2.37 120.64 113.64 1p93 n GLU 684 Ca 0.21 0.48 0.06 0.00 -0.00 0.00 0.00 57.16 57.91 1p93 n GLU 684 Cb 0.49 -1.28 0.14 0.00 -0.00 0.00 0.00 31.44 30.80 1p93 n GLU 684 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1p93 n LEU 685 N -1.64 -0.30 -0.25 -1.84 0.00 -1.12 -0.43 117.00 111.42 1p93 n LEU 685 Ca 0.00 1.55 -0.07 0.00 0.00 0.00 0.00 56.01 57.49 1p93 n LEU 685 Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 43.42 42.92 1p93 n LEU 685 CO 0.00 -1.49 0.58 0.15 0.00 0.00 0.00 177.39 176.62 1p93 h PHE 686 N 0.00 -1.23 0.00 1.96 3.57 -1.12 1.35 116.94 121.48 1p93 h PHE 686 Ca 0.45 0.09 -0.02 0.00 3.53 0.00 0.00 57.97 62.01 1p93 h PHE 686 Cb 0.72 0.63 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 1p93 h PHE 686 CO -0.66 -0.41 -0.12 -0.44 -2.23 0.00 0.00 178.31 174.45 1p93 h ASP 687 N -0.16 0.00 0.04 0.41 5.19 -0.36 0.39 116.42 121.93 1p93 h ASP 687 Ca 0.22 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1p93 h ASP 687 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1p93 h ASP 687 CO -0.76 0.12 -0.02 -0.08 -3.12 0.00 0.00 179.24 175.37 1p93 h GLU 688 N 0.00 -0.06 -0.18 3.56 4.22 0.23 -1.85 114.58 120.51 1p93 h GLU 688 Ca -0.00 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.24 1p93 h GLU 688 Cb 0.58 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1p93 h GLU 688 CO 0.02 0.40 -0.68 0.82 -2.18 0.00 0.00 179.01 177.38 1p93 h ILE 689 N -0.54 1.30 -0.69 2.32 2.04 0.12 -3.07 117.51 118.99 1p93 h ILE 689 Ca -0.01 -1.92 0.03 0.00 1.00 0.00 0.00 64.86 63.97 1p93 h ILE 689 Cb 0.49 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 1p93 h ILE 689 CO 0.01 0.61 0.43 -0.09 0.00 0.00 0.00 178.15 179.11 1p93 h ARG 690 N 0.52 0.81 -0.13 2.37 2.43 -0.27 -2.73 114.38 117.38 1p93 h ARG 690 Ca -0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1p93 h ARG 690 Cb 1.29 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1p93 h ARG 690 CO 0.14 0.54 0.06 1.98 -1.51 0.00 0.00 179.97 181.18 1p93 h MET 691 N 0.84 0.19 -0.23 0.20 4.05 -1.35 -1.91 114.93 116.72 1p93 h MET 691 Ca 0.28 -0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.74 1p93 h MET 691 Cb 0.03 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1p93 h MET 691 CO -0.11 0.26 0.22 1.79 0.23 0.00 0.00 176.91 179.30 1p93 h THR 692 N 0.08 0.56 0.00 -0.77 1.35 -1.40 2.46 112.91 115.19 1p93 h THR 692 Ca 0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.88 1p93 h THR 692 Cb 0.13 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1p93 h THR 692 CO -0.01 0.00 -0.60 1.88 -0.25 0.00 0.00 175.52 176.54 1p93 h TYR 693 N 0.00 0.00 0.00 4.73 0.05 -1.16 3.08 116.97 123.67 1p93 h TYR 693 Ca 0.11 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.65 1p93 h TYR 693 Cb 0.55 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.25 1p93 h TYR 693 CO 0.00 0.11 -1.31 0.82 -1.05 0.00 0.00 178.16 176.74 1p93 h ILE 694 N 0.00 1.25 0.12 -2.88 2.04 0.48 -1.31 117.51 117.20 1p93 h ILE 694 Ca -0.02 -3.00 -0.01 0.00 1.00 0.00 0.00 64.86 62.84 1p93 h ILE 694 Cb 1.10 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 1p93 h ILE 694 CO 0.01 0.71 -0.06 0.11 0.00 0.00 0.00 178.15 178.93 1p93 h LYS 695 N 0.00 -0.15 0.00 2.37 1.79 0.42 -2.80 116.57 118.20 1p93 h LYS 695 Ca -0.14 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1p93 h LYS 695 Cb 1.85 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.54 1p93 h LYS 695 CO 0.10 0.19 0.00 1.49 -1.08 0.00 0.00 179.45 180.16 1p93 h GLU 696 N -0.98 0.00 0.10 3.15 4.57 0.55 0.33 114.58 122.31 1p93 h GLU 696 Ca -0.02 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.90 1p93 h GLU 696 Cb 0.41 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1p93 h GLU 696 CO 0.03 0.00 -1.25 1.25 -1.18 0.00 0.00 179.01 177.85 1p93 h LEU 697 N 0.00 0.35 -0.67 1.64 5.85 -1.20 -3.27 115.31 118.01 1p93 h LEU 697 Ca 0.00 -0.39 -0.14 0.00 0.84 0.00 0.00 57.88 58.20 1p93 h LEU 697 Cb 0.01 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1p93 h LEU 697 CO 0.00 1.31 -0.46 1.23 -0.34 0.00 0.00 178.44 180.18 1p93 h GLY 698 N 1.86 0.53 0.62 3.75 0.00 -0.66 -3.05 103.07 106.11 1p93 h GLY 698 Ca -0.13 -0.56 0.13 0.00 0.00 0.00 0.00 47.33 46.77 1p93 h GLY 698 CO 0.18 0.50 0.56 0.50 0.00 0.00 0.00 176.54 178.28 1p93 h LYS 699 N 0.39 0.67 -0.17 4.80 1.57 -1.54 -2.13 116.57 120.16 1p93 h LYS 699 Ca 0.02 -0.04 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 1p93 h LYS 699 Cb 0.96 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.13 1p93 h LYS 699 CO 0.08 0.44 -0.75 0.00 -0.57 0.00 0.00 179.45 178.66 1p93 h ALA 700 N 1.60 0.34 0.00 3.86 0.00 -1.60 -3.13 119.26 120.32 1p93 h ALA 700 Ca 0.42 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1p93 h ALA 700 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1p93 h ALA 700 CO -0.18 0.69 0.00 0.82 0.00 0.00 0.00 179.25 180.57 1p93 h ILE 701 N 0.56 0.00 -0.18 0.00 2.04 -1.37 -2.45 117.51 116.11 1p93 h ILE 701 Ca -0.04 -0.48 -0.19 0.00 1.00 0.00 0.00 64.86 65.14 1p93 h ILE 701 Cb 1.37 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1p93 h ILE 701 CO 0.16 0.00 -0.66 0.58 0.00 0.00 0.00 178.15 178.23 1p93 h VAL 702 N 0.00 1.30 -0.44 1.67 2.07 -1.36 -3.35 116.25 116.15 1p93 h VAL 702 Ca 0.00 -1.90 -0.54 0.00 0.82 0.00 0.00 66.70 65.08 1p93 h VAL 702 Cb 0.51 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1p93 h VAL 702 CO 0.00 0.60 1.88 0.29 0.02 0.00 0.00 177.57 180.36 1p93 n LYS 703 N -3.94 2.20 0.00 1.57 5.02 -0.92 -4.59 118.16 117.49 1p93 n LYS 703 Ca -0.05 -2.61 0.00 0.00 -2.02 0.00 0.00 58.31 53.63 1p93 n LYS 703 Cb 0.68 -3.46 0.00 0.00 -0.02 0.00 0.00 35.03 32.23 1p93 n LYS 703 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1p93 n ARG 704 N 7.82 0.00 0.00 1.97 1.85 -1.26 -5.02 116.66 122.02 1p93 n ARG 704 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.33 1p93 n ARG 704 Cb 0.44 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.85 1p93 n ARG 704 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1p93 n SER 708 N 0.00 0.00 0.00 2.89 7.64 -1.26 -5.00 113.62 117.89 1p93 n SER 708 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1p93 n SER 708 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1p93 n SER 708 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1p93 n SER 709 N 0.00 0.00 -1.99 6.43 2.88 -1.26 -4.75 113.62 114.93 1p93 n SER 709 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1p93 n SER 709 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1p93 n SER 709 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1p93 n GLN 710 N 0.00 1.92 0.14 -1.46 -0.00 -1.26 -4.71 117.38 112.01 1p93 n GLN 710 Ca 0.00 -1.72 0.00 0.00 -0.00 0.00 0.00 57.00 55.28 1p93 n GLN 710 Cb 0.00 -1.71 0.00 0.00 -0.00 0.00 0.00 30.24 28.53 1p93 n GLN 710 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1p93 n ASN 711 N 0.40 0.00 0.26 2.61 4.13 -1.26 0.20 115.26 121.59 1p93 n ASN 711 Ca 0.34 0.21 0.15 0.00 1.68 0.00 0.00 54.58 56.96 1p93 n ASN 711 Cb 0.58 0.00 0.56 0.00 -1.54 0.00 0.00 39.78 39.38 1p93 n ASN 711 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1p93 h TRP 712 N 0.00 0.00 -0.00 3.10 4.06 -1.98 -2.08 115.95 119.05 1p93 h TRP 712 Ca 0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 1p93 h TRP 712 Cb 1.31 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.47 1p93 h TRP 712 CO 0.00 0.06 -0.01 0.37 -3.56 0.00 0.00 178.44 175.30 1p93 h GLN 713 N 0.00 0.01 -0.69 0.49 4.15 0.18 -2.19 115.11 117.05 1p93 h GLN 713 Ca -0.00 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1p93 h GLN 713 Cb 0.63 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 1p93 h GLN 713 CO 0.01 0.55 0.41 -0.09 -1.93 0.00 0.00 178.83 177.79 1p93 h ARG 714 N -0.53 0.76 -0.55 1.69 9.65 -1.69 -2.24 114.38 121.48 1p93 h ARG 714 Ca 0.00 -0.05 0.09 0.00 -1.10 0.00 0.00 59.98 58.93 1p93 h ARG 714 Cb 0.55 -0.17 -0.07 0.00 -1.39 0.00 0.00 29.97 28.89 1p93 h ARG 714 CO 0.00 0.51 0.13 0.35 2.80 0.00 0.00 179.97 183.76 1p93 h PHE 715 N 0.79 0.22 0.05 2.20 3.57 -1.33 -2.06 116.94 120.37 1p93 h PHE 715 Ca 0.29 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.85 1p93 h PHE 715 Cb 0.10 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1p93 h PHE 715 CO -0.06 0.01 -0.21 -0.92 -2.23 0.00 0.00 178.31 174.90 1p93 h TYR 716 N 0.28 -0.56 -0.29 0.41 5.03 -0.77 -1.30 116.97 119.77 1p93 h TYR 716 Ca 0.28 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.63 1p93 h TYR 716 Cb 0.38 0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.87 1p93 h TYR 716 CO -0.22 -0.30 0.10 1.96 -1.32 0.00 0.00 178.16 178.38 1p93 h GLN 717 N -0.36 0.22 -0.57 1.82 4.20 -1.38 0.23 115.11 119.27 1p93 h GLN 717 Ca 0.04 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.81 1p93 h GLN 717 Cb 0.41 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 1p93 h GLN 717 CO -0.16 0.15 0.27 -0.07 -0.67 0.00 0.00 178.83 178.34 1p93 h LEU 718 N 0.23 0.34 0.66 1.46 3.38 -1.22 -2.83 115.31 117.34 1p93 h LEU 718 Ca 0.13 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1p93 h LEU 718 Cb 0.09 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1p93 h LEU 718 CO -0.13 0.22 -0.32 0.74 0.09 0.00 0.00 178.44 179.05 1p93 h THR 719 N 0.50 0.00 0.00 0.22 2.02 -0.41 -2.55 112.91 112.69 1p93 h THR 719 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1p93 h THR 719 Cb 0.24 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1p93 h THR 719 CO -0.22 0.00 0.46 0.50 0.37 0.00 0.00 175.52 176.63 1p93 h LYS 720 N -0.89 0.00 0.13 6.66 1.63 -0.48 0.42 116.57 124.04 1p93 h LYS 720 Ca -0.09 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.34 1p93 h LYS 720 Cb 0.68 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 1p93 h LYS 720 CO 0.15 0.00 -2.00 -0.11 -3.45 0.00 0.00 179.45 174.04 1p93 n LEU 721 N -2.03 2.64 0.03 5.20 7.94 -0.99 -3.02 117.00 126.76 1p93 n LEU 721 Ca -0.01 0.21 0.19 0.00 -1.11 0.00 0.00 56.01 55.30 1p93 n LEU 721 Cb 0.48 -1.12 0.70 0.00 0.53 0.00 0.00 43.42 44.01 1p93 n LEU 721 CO 0.04 0.86 1.18 -0.07 -1.11 0.00 0.00 177.39 178.29 1p93 h LEU 722 N 0.07 0.00 -0.01 -1.96 3.38 0.23 0.47 115.31 117.49 1p93 h LEU 722 Ca -0.42 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.37 1p93 h LEU 722 Cb 2.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.80 1p93 h LEU 722 CO 0.09 0.00 -0.68 0.44 0.09 0.00 0.00 178.44 178.38 1p93 h ASP 723 N 0.00 0.61 -0.91 -0.43 5.19 -1.61 -3.24 116.42 116.03 1p93 h ASP 723 Ca 0.23 -0.75 0.24 0.00 -0.62 0.00 0.00 57.03 56.13 1p93 h ASP 723 Cb 0.94 -0.19 -0.13 0.00 0.18 0.00 0.00 39.33 40.13 1p93 h ASP 723 CO -0.00 1.28 0.39 -1.28 -3.12 0.00 0.00 179.24 176.51 1p93 h SER 724 N 0.01 0.30 -1.27 6.45 0.87 -0.82 0.82 113.55 119.92 1p93 h SER 724 Ca -0.08 0.17 0.37 0.00 -1.23 0.00 0.00 61.79 61.01 1p93 h SER 724 Cb 1.37 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 63.44 1p93 h SER 724 CO 0.13 -0.04 0.96 0.24 -0.53 0.00 0.00 176.83 177.59 1p93 h MET 725 N 0.36 0.00 -0.16 2.24 2.86 -1.49 0.38 114.93 119.13 1p93 h MET 725 Ca 0.58 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 58.16 1p93 h MET 725 Cb 1.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1p93 h MET 725 CO -0.56 0.00 -0.14 0.45 1.06 0.00 0.00 176.91 177.72 1p93 h HIS 726 N 0.00 0.45 0.52 -0.22 3.86 -1.02 0.30 115.15 119.03 1p93 h HIS 726 Ca 0.60 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.66 1p93 h HIS 726 Cb 2.51 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 30.88 1p93 h HIS 726 CO 0.00 0.75 -0.37 0.93 0.86 0.00 0.00 177.93 180.10 1p93 h GLU 727 N 0.01 -0.82 -0.94 2.45 5.08 -1.09 -1.44 114.58 117.83 1p93 h GLU 727 Ca 0.03 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.55 1p93 h GLU 727 Cb 0.67 0.19 -0.13 0.00 0.50 0.00 0.00 28.75 29.98 1p93 h GLU 727 CO 0.04 -0.54 -0.51 0.28 -1.00 0.00 0.00 179.01 177.27 1p93 h VAL 728 N -0.85 0.01 -0.96 3.13 2.07 -1.35 0.21 116.25 118.52 1p93 h VAL 728 Ca -0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.53 1p93 h VAL 728 Cb 0.70 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 1p93 h VAL 728 CO 0.04 0.00 0.62 0.58 0.02 0.00 0.00 177.57 178.82 1p93 h VAL 729 N -0.03 1.04 -0.93 2.57 2.07 -0.30 -1.13 116.25 119.54 1p93 h VAL 729 Ca 0.22 -0.37 0.12 0.00 0.82 0.00 0.00 66.70 67.49 1p93 h VAL 729 Cb 0.49 -0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 1p93 h VAL 729 CO -0.92 0.19 0.60 -0.08 0.02 0.00 0.00 177.57 177.38 1p93 h GLU 730 N 1.07 0.84 -0.24 1.57 4.81 0.54 -1.14 114.58 122.03 1p93 h GLU 730 Ca 0.43 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.46 1p93 h GLU 730 Cb 0.26 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1p93 h GLU 730 CO -0.18 0.55 -0.41 -0.91 -0.73 0.00 0.00 179.01 177.34 1p93 h ASN 731 N 0.86 0.77 0.33 1.04 -0.26 -0.83 -1.78 115.58 115.70 1p93 h ASN 731 Ca 0.46 -0.53 -0.01 0.00 -0.56 0.00 0.00 56.30 55.66 1p93 h ASN 731 Cb 0.54 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.58 1p93 h ASN 731 CO -0.22 1.15 -0.03 -0.07 -1.06 0.00 0.00 177.43 177.20 1p93 h LEU 732 N 0.41 0.00 0.05 1.61 3.38 -0.84 -1.98 115.31 117.94 1p93 h LEU 732 Ca 0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1p93 h LEU 732 Cb 1.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1p93 h LEU 732 CO 0.09 0.03 -1.32 -0.07 0.09 0.00 0.00 178.44 177.26 1p93 h LEU 733 N 0.00 0.15 -1.68 1.67 3.38 -1.11 0.89 115.31 118.61 1p93 h LEU 733 Ca -0.00 -0.70 0.05 0.00 0.09 0.00 0.00 57.88 57.32 1p93 h LEU 733 Cb 0.20 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1p93 h LEU 733 CO 0.00 1.54 0.30 0.78 0.09 0.00 0.00 178.44 181.15 1p93 h ASN 734 N -0.67 0.35 0.60 -0.43 2.35 -1.19 0.56 115.58 117.14 1p93 h ASN 734 Ca -0.32 -0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.15 1p93 h ASN 734 Cb 1.50 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.78 1p93 h ASN 734 CO -0.09 0.23 -1.38 0.22 -1.65 0.00 0.00 177.43 174.77 1p93 h TYR 735 N 0.40 0.33 -0.11 1.19 5.03 -1.47 -2.98 116.97 119.37 1p93 h TYR 735 Ca 0.19 -0.24 -0.12 0.00 2.58 0.00 0.00 58.73 61.14 1p93 h TYR 735 Cb 0.25 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.52 1p93 h TYR 735 CO -0.00 1.25 -0.39 0.00 -1.32 0.00 0.00 178.16 177.69 1p93 h PHE 737 N 0.04 0.35 0.00 0.00 3.57 -0.04 -2.77 116.94 118.09 1p93 h PHE 737 Ca -0.02 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1p93 h PHE 737 Cb 1.03 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1p93 h PHE 737 CO 0.11 0.50 0.00 1.04 -2.23 0.00 0.00 178.31 177.73 1p93 n GLN 738 N -4.20 0.00 -0.65 1.11 6.02 -1.12 -1.25 117.38 117.29 1p93 n GLN 738 Ca -0.00 0.26 0.50 0.00 -0.01 0.00 0.00 57.00 57.75 1p93 n GLN 738 Cb 0.33 -1.12 0.79 0.00 1.02 0.00 0.00 30.24 31.25 1p93 n GLN 738 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1p93 n THR 739 N -1.03 -0.06 0.09 5.09 -2.24 -1.23 0.29 114.28 115.19 1p93 n THR 739 Ca 0.00 1.56 -0.05 0.00 -2.27 0.00 0.00 64.05 63.29 1p93 n THR 739 Cb 0.00 -2.59 0.11 0.00 -2.10 0.00 0.00 70.33 65.75 1p93 n THR 739 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1p93 h PHE 740 N 0.00 0.25 -0.00 4.78 3.57 -1.18 -3.31 116.94 121.04 1p93 h PHE 740 Ca 0.92 -0.10 -0.12 0.00 3.53 0.00 0.00 57.97 62.21 1p93 h PHE 740 Cb 3.55 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 42.25 1p93 h PHE 740 CO -0.00 0.78 -0.46 -0.07 -2.23 0.00 0.00 178.31 176.33 1p93 h LEU 741 N 0.13 0.41 -9.23 0.59 3.38 0.57 -3.45 115.31 107.70 1p93 h LEU 741 Ca -0.01 -0.77 -0.59 0.00 0.09 0.00 0.00 57.88 56.60 1p93 h LEU 741 Cb 1.17 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 1p93 h LEU 741 CO 0.10 1.12 -0.16 -0.62 0.09 0.00 0.00 178.44 178.97 1p93 s ASP 742 N -6.57 6.56 0.30 -0.43 2.15 -0.95 -4.95 116.67 112.79 1p93 s ASP 742 Ca -0.14 0.66 0.20 0.00 0.43 0.00 0.00 52.55 53.70 1p93 s ASP 742 Cb 0.02 -2.26 0.14 0.00 -0.30 0.00 0.00 42.92 40.52 1p93 s ASP 742 CO 0.79 -0.04 1.37 0.50 -0.17 0.00 0.00 175.17 177.61 1p93 h LYS 743 N 7.04 0.00 0.00 4.34 3.64 -1.88 -3.15 116.57 126.56 1p93 h LYS 743 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1p93 h LYS 743 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1p93 h LYS 743 CO 0.74 0.20 0.00 2.41 -2.27 0.00 0.00 179.45 180.53 1p93 n THR 744 N -3.05 1.28 0.36 1.00 -1.04 -1.26 0.16 114.28 111.74 1p93 n THR 744 Ca 0.01 0.32 0.12 0.00 -2.04 0.00 0.00 64.05 62.46 1p93 n THR 744 Cb 0.64 -1.25 0.13 0.00 -1.82 0.00 0.00 70.33 68.02 1p93 n THR 744 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1p93 h MET 745 N 0.00 0.00 -0.43 -2.82 2.86 -1.88 -3.47 114.93 109.18 1p93 h MET 745 Ca 0.00 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.45 1p93 h MET 745 Cb 0.05 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.64 1p93 h MET 745 CO 0.00 0.00 -0.17 0.43 1.06 0.00 0.00 176.91 178.23 1p93 n SER 746 N -2.46 -5.26 -4.70 1.22 7.64 0.12 -4.91 113.62 105.27 1p93 n SER 746 Ca 0.02 0.23 -0.36 0.00 1.01 0.00 0.00 58.87 59.77 1p93 n SER 746 Cb 0.49 -3.56 -0.09 0.00 -1.01 0.00 0.00 64.21 60.04 1p93 n SER 746 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1p93 s ILE 747 N -1.95 5.39 -0.10 0.44 1.01 -1.26 -4.95 121.20 119.77 1p93 s ILE 747 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.85 1p93 s ILE 747 Cb 0.00 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1p93 s ILE 747 CO 0.00 0.40 -0.13 -0.70 0.00 0.00 0.00 174.94 174.51 1p93 s GLU 748 N 0.64 3.10 0.55 2.79 2.56 -1.26 -4.83 118.70 122.25 1p93 s GLU 748 Ca 0.08 -0.68 0.08 0.00 0.00 0.00 0.00 54.97 54.44 1p93 s GLU 748 Cb -0.12 -2.56 0.06 0.00 2.00 0.00 0.00 34.13 33.51 1p93 s GLU 748 CO 0.01 0.35 0.59 -0.06 -0.56 0.00 0.00 175.26 175.59 1p93 s PHE 749 N -0.02 1.55 0.35 5.30 0.40 -1.26 -4.56 117.98 119.75 1p93 s PHE 749 Ca -0.03 -0.78 0.07 0.00 -0.60 0.00 0.00 56.93 55.59 1p93 s PHE 749 Cb -0.14 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.32 1p93 s PHE 749 CO 0.04 -0.79 0.44 -1.25 0.70 0.00 0.00 175.22 174.36 1p93 s PRO 750 N -4.46 2.94 0.18 0.24 0.04 -1.26 -4.96 135.00 127.72 1p93 s PRO 750 Ca 0.48 -1.15 -0.12 0.00 0.04 0.00 0.00 61.00 60.24 1p93 s PRO 750 Cb -0.04 -2.70 0.09 0.00 0.04 0.00 0.00 34.50 31.89 1p93 s PRO 750 CO 0.30 -0.00 1.81 0.93 0.04 0.00 0.00 177.00 180.07 1p93 h GLU 751 N 0.94 0.84 -0.77 4.56 5.08 -2.00 0.36 114.58 123.60 1p93 h GLU 751 Ca -0.44 -0.08 0.11 0.00 -1.00 0.00 0.00 59.36 57.94 1p93 h GLU 751 Cb 1.26 -0.17 -0.12 0.00 0.50 0.00 0.00 28.75 30.21 1p93 h GLU 751 CO 0.53 0.61 -0.44 1.98 -1.00 0.00 0.00 179.01 180.69 1p93 h MET 752 N 0.83 -0.12 0.00 2.33 4.05 -1.95 0.42 114.93 120.49 1p93 h MET 752 Ca 0.22 0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.51 1p93 h MET 752 Cb 0.00 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 1p93 h MET 752 CO -0.04 -0.08 -0.64 -0.07 0.23 0.00 0.00 176.91 176.31 1p93 h LEU 753 N -0.12 0.00 -0.09 3.39 3.38 -1.84 -3.23 115.31 116.80 1p93 h LEU 753 Ca 0.23 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1p93 h LEU 753 Cb 0.55 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1p93 h LEU 753 CO -0.81 0.64 -0.51 0.00 0.09 0.00 0.00 178.44 177.84 1p93 h ALA 754 N 1.36 -0.84 -0.06 1.53 0.00 0.40 0.76 119.26 122.41 1p93 h ALA 754 Ca -0.01 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1p93 h ALA 754 Cb 1.33 0.94 -0.06 0.00 0.00 0.00 0.00 17.79 20.00 1p93 h ALA 754 CO 0.08 -1.06 -0.37 1.49 0.00 0.00 0.00 179.25 179.39 1p93 h GLU 755 N -0.59 -0.47 -0.27 0.00 4.57 -1.18 0.01 114.58 116.65 1p93 h GLU 755 Ca 0.04 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 1p93 h GLU 755 Cb 0.69 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.34 1p93 h GLU 755 CO -0.40 -0.31 0.02 0.82 -1.18 0.00 0.00 179.01 177.95 1p93 h ILE 756 N -0.49 0.83 -0.30 2.32 2.04 -1.41 0.19 117.51 120.69 1p93 h ILE 756 Ca 0.07 -0.03 -0.12 0.00 1.00 0.00 0.00 64.86 65.77 1p93 h ILE 756 Cb 0.60 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1p93 h ILE 756 CO -0.34 0.02 -0.32 0.40 0.00 0.00 0.00 178.15 177.92 1p93 h ILE 757 N 0.10 1.28 -0.54 -0.67 2.04 0.63 0.15 117.51 120.51 1p93 h ILE 757 Ca 0.13 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 1p93 h ILE 757 Cb 0.16 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1p93 h ILE 757 CO -0.20 0.46 0.27 0.74 0.00 0.00 0.00 178.15 179.42 1p93 h THR 758 N 0.54 1.19 0.01 -0.27 2.02 -0.54 -3.32 112.91 112.53 1p93 h THR 758 Ca 0.06 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1p93 h THR 758 Cb 0.81 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1p93 h THR 758 CO 0.07 0.22 -0.00 -1.13 0.37 0.00 0.00 175.52 175.04 1p93 h ASN 759 N 0.72 -0.01 0.00 4.18 -0.73 -0.44 -3.40 115.58 115.89 1p93 h ASN 759 Ca 0.19 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.36 1p93 h ASN 759 Cb 0.10 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.69 1p93 h ASN 759 CO -0.03 0.01 0.00 1.67 -0.37 0.00 0.00 177.43 178.72 1p93 n GLN 760 N -2.12 0.00 -0.06 6.67 0.00 0.51 -2.83 117.38 119.55 1p93 n GLN 760 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.01 1p93 n GLN 760 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.27 1p93 n GLN 760 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1p93 n ILE 761 N 0.00 -0.07 -0.05 1.69 5.41 -1.25 0.46 119.36 125.55 1p93 n ILE 761 Ca 0.00 0.40 -0.08 0.00 1.00 0.00 0.00 62.75 64.06 1p93 n ILE 761 Cb 0.00 -0.55 -0.02 0.00 -0.71 0.00 0.00 39.64 38.36 1p93 n ILE 761 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1p93 h PRO 762 N 0.00 -0.24 0.36 0.38 0.11 -1.72 -2.38 132.00 128.50 1p93 h PRO 762 Ca 0.08 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 1p93 h PRO 762 Cb 0.12 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1p93 h PRO 762 CO -0.18 -0.16 -0.17 1.57 -0.21 0.00 0.00 178.00 178.85 1p93 h LYS 763 N -0.25 -0.46 0.00 1.05 2.10 0.17 -3.24 116.57 115.94 1p93 h LYS 763 Ca 0.14 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1p93 h LYS 763 Cb 0.46 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1p93 h LYS 763 CO -0.39 -0.31 0.76 0.10 -2.00 0.00 0.00 179.45 177.61 1p93 h TYR 764 N -0.79 0.00 0.00 0.07 -0.00 -1.53 0.27 116.97 114.99 1p93 h TYR 764 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.68 1p93 h TYR 764 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.10 1p93 h TYR 764 CO 0.04 0.00 0.00 0.43 -0.00 0.00 0.00 178.16 178.63 1p93 n SER 765 N -2.61 0.29 -1.94 0.10 7.64 -0.90 -2.06 113.62 114.15 1p93 n SER 765 Ca -0.01 0.60 -0.23 0.00 1.01 0.00 0.00 58.87 60.25 1p93 n SER 765 Cb 0.78 -0.65 0.12 0.00 -1.01 0.00 0.00 64.21 63.44 1p93 n SER 765 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1p93 n ASN 766 N -1.86 5.01 0.00 6.43 4.13 0.94 -4.94 115.26 124.97 1p93 n ASN 766 Ca 0.01 -3.75 0.00 0.00 1.68 0.00 0.00 54.58 52.51 1p93 n ASN 766 Cb 0.09 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 37.61 1p93 n ASN 766 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p93 n GLY 767 N -0.97 0.00 0.00 7.41 0.00 -0.87 -4.72 105.19 106.04 1p93 n GLY 767 Ca 0.50 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.55 1p93 n GLY 767 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1p93 n ASN 768 N 1.12 0.00 -4.78 1.61 6.94 -1.26 -4.60 115.26 114.29 1p93 n ASN 768 Ca 0.00 0.11 -0.36 0.00 -0.02 0.00 0.00 54.58 54.31 1p93 n ASN 768 Cb 0.16 -0.20 -0.08 0.00 -2.36 0.00 0.00 39.78 37.30 1p93 n ASN 768 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1p93 s ILE 769 N -2.41 5.11 -0.35 1.53 1.09 -0.96 -3.17 121.20 122.04 1p93 s ILE 769 Ca 0.06 0.06 0.00 0.00 -1.10 0.00 0.00 60.65 59.67 1p93 s ILE 769 Cb 0.03 -3.23 0.09 0.00 -1.06 0.00 0.00 42.46 38.30 1p93 s ILE 769 CO 0.07 0.57 0.09 -0.75 -0.10 0.00 0.00 174.94 174.83 1p93 s LYS 770 N -0.63 1.89 -0.75 2.79 2.20 0.57 -4.84 119.74 120.97 1p93 s LYS 770 Ca 0.12 -1.72 -0.26 0.00 -0.36 0.00 0.00 55.97 53.75 1p93 s LYS 770 Cb -0.12 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1p93 s LYS 770 CO 0.02 -0.91 1.71 0.15 -0.36 0.00 0.00 175.35 175.96 1p93 s LYS 771 N 1.06 2.83 0.40 4.03 1.02 -1.26 -0.68 119.74 127.14 1p93 s LYS 771 Ca 0.06 0.04 -0.23 0.00 0.02 0.00 0.00 55.97 55.86 1p93 s LYS 771 Cb -0.21 -4.60 -0.13 0.00 -0.52 0.00 0.00 37.83 32.37 1p93 s LYS 771 CO -0.05 -2.70 0.60 1.28 -0.92 0.00 0.00 175.35 173.56 1p93 n LEU 772 N 11.90 0.17 -4.50 3.17 4.77 -0.29 -4.95 117.00 127.27 1p93 n LEU 772 Ca 0.22 0.94 -0.24 0.00 -0.03 0.00 0.00 56.01 56.91 1p93 n LEU 772 Cb 0.50 -1.13 -0.11 0.00 -2.33 0.00 0.00 43.42 40.36 1p93 n LEU 772 CO 0.68 -2.72 -0.27 -0.76 -1.33 0.00 0.00 177.39 172.99 1p93 s LEU 773 N 1.61 2.37 0.00 2.23 1.43 -1.26 -4.82 118.68 120.25 1p93 s LEU 773 Ca 0.63 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1p93 s LEU 773 Cb -0.62 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.07 1p93 s LEU 773 CO 0.58 -0.57 0.00 0.49 0.23 0.00 0.00 176.35 177.08 1p93 n PHE 774 N -0.77 0.00 -4.05 0.29 3.72 -1.26 -5.01 117.46 110.38 1p93 n PHE 774 Ca -0.03 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.10 1p93 n PHE 774 Cb 0.67 0.02 -0.17 0.00 -0.94 0.00 0.00 39.48 39.06 1p93 n PHE 774 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1p93 s HIS 775 N -1.97 1.60 -2.06 1.38 3.76 -1.26 -5.09 115.29 111.65 1p93 s HIS 775 Ca 0.00 -0.79 0.17 0.00 -0.15 0.00 0.00 55.06 54.28 1p93 s HIS 775 Cb 0.00 -1.27 0.13 0.00 1.11 0.00 0.00 32.58 32.55 1p93 s HIS 775 CO 0.00 -0.50 1.02 1.04 -0.85 0.00 0.00 174.74 175.45