#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h42 h GLU 536 N 0.00 0.00 0.10 5.31 5.08 -2.05 -2.71 114.58 120.31 2h42 h GLU 536 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2h42 h GLU 536 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2h42 h GLU 536 CO 0.00 0.00 -1.25 1.15 -1.00 0.00 0.00 179.01 177.91 2h42 h THR 537 N 0.00 1.48 -0.05 1.13 2.02 -2.05 -2.43 112.91 113.00 2h42 h THR 537 Ca 0.00 -3.08 -0.01 0.00 0.77 0.00 0.00 66.41 64.09 2h42 h THR 537 Cb 0.51 2.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.81 2h42 h THR 537 CO 0.00 0.89 -0.01 -0.09 0.37 0.00 0.00 175.52 176.68 2h42 h ARG 538 N 0.06 0.09 -0.82 6.66 2.43 -1.93 -2.47 114.38 118.40 2h42 h ARG 538 Ca -0.13 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2h42 h ARG 538 Cb 1.95 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 31.42 2h42 h ARG 538 CO 0.18 0.41 0.48 1.49 -1.51 0.00 0.00 179.97 181.03 2h42 h GLU 539 N -0.25 0.81 0.03 0.20 4.81 -1.57 -0.73 114.58 117.88 2h42 h GLU 539 Ca 0.01 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2h42 h GLU 539 Cb 0.38 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2h42 h GLU 539 CO 0.00 0.53 -0.02 1.25 -0.73 0.00 0.00 179.01 180.05 2h42 h LEU 540 N 0.83 -0.04 -1.24 1.64 5.85 -1.33 -1.90 115.31 119.12 2h42 h LEU 540 Ca 0.38 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2h42 h LEU 540 Cb 0.30 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2h42 h LEU 540 CO -0.22 0.07 -0.26 -0.61 -0.34 0.00 0.00 178.44 177.08 2h42 h GLN 541 N -0.15 0.00 0.02 1.25 4.15 -1.12 -0.76 115.11 118.49 2h42 h GLN 541 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 2h42 h GLN 541 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2h42 h GLN 541 CO 0.01 0.26 -0.01 0.77 -1.93 0.00 0.00 178.83 177.93 2h42 h SER 542 N 0.00 -0.02 -0.13 -0.69 0.02 -0.89 -0.60 113.55 111.24 2h42 h SER 542 Ca -0.00 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2h42 h SER 542 Cb 0.70 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2h42 h SER 542 CO 0.03 0.21 0.05 0.25 -1.14 0.00 0.00 176.83 176.24 2h42 h LEU 543 N -0.25 0.08 -1.25 5.07 5.85 -1.00 -0.17 115.31 123.64 2h42 h LEU 543 Ca -0.00 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 2h42 h LEU 543 Cb 0.24 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2h42 h LEU 543 CO 0.00 0.06 -0.25 0.00 -0.34 0.00 0.00 178.44 177.92 2h42 h ALA 544 N 1.07 1.37 0.00 1.25 0.00 -1.12 -3.08 119.26 118.75 2h42 h ALA 544 Ca 0.05 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2h42 h ALA 544 Cb 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2h42 h ALA 544 CO -0.04 0.44 -1.00 0.00 0.00 0.00 0.00 179.25 178.65 2h42 h ALA 545 N 1.56 0.59 -2.54 0.00 0.00 -0.91 -3.48 119.26 114.50 2h42 h ALA 545 Ca 0.03 -0.25 -0.52 0.00 0.00 0.00 0.00 54.91 54.17 2h42 h ALA 545 Cb 0.54 0.07 0.13 0.00 0.00 0.00 0.00 17.79 18.53 2h42 h ALA 545 CO 0.04 0.28 0.37 0.00 0.00 0.00 0.00 179.25 179.94 2h42 s ALA 546 N -3.21 2.29 0.07 0.00 0.00 -0.09 -4.99 121.76 115.82 2h42 s ALA 546 Ca -0.00 0.67 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 2h42 s ALA 546 Cb 0.09 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 2h42 s ALA 546 CO 0.78 -1.57 0.83 0.08 0.00 0.00 0.00 175.76 175.88 2h42 s VAL 547 N -2.22 4.65 -0.49 0.00 1.01 -1.26 -5.01 120.40 117.07 2h42 s VAL 547 Ca 0.70 1.77 -0.20 0.00 0.00 0.00 0.00 61.98 64.25 2h42 s VAL 547 Cb -0.24 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.01 2h42 s VAL 547 CO 0.44 0.35 0.65 -0.69 0.00 0.00 0.00 175.10 175.85 2h42 s VAL 548 N -0.07 4.83 0.76 2.92 1.01 -1.26 -5.05 120.40 123.54 2h42 s VAL 548 Ca 0.41 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 2h42 s VAL 548 Cb -0.21 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 31.93 2h42 s VAL 548 CO 0.25 -0.77 1.13 -2.16 0.00 0.00 0.00 175.10 173.55 2h42 s PRO 549 N 2.77 2.15 0.93 2.72 0.04 -1.26 -4.98 135.00 137.36 2h42 s PRO 549 Ca 0.18 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 62.56 2h42 s PRO 549 Cb -0.17 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.66 2h42 s PRO 549 CO 0.14 -1.76 1.15 -1.54 0.04 0.00 0.00 177.00 175.02 2h42 s SER 550 N -2.71 2.77 0.24 6.66 1.04 -1.26 -4.78 113.70 115.67 2h42 s SER 550 Ca 0.67 2.19 -0.08 0.00 0.48 0.00 0.00 55.95 59.21 2h42 s SER 550 Cb -0.22 -2.56 0.22 0.00 0.10 0.00 0.00 66.02 63.56 2h42 s SER 550 CO 0.50 -3.20 1.91 0.00 0.98 0.00 0.00 173.24 173.43 2h42 h ALA 551 N -1.93 1.16 -0.39 5.32 0.00 -1.93 -1.83 119.26 119.64 2h42 h ALA 551 Ca -0.44 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.42 2h42 h ALA 551 Cb 1.27 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2h42 h ALA 551 CO 0.41 0.56 0.24 0.37 0.00 0.00 0.00 179.25 180.84 2h42 h GLN 552 N 1.24 0.48 -0.53 0.00 4.15 -1.96 0.16 115.11 118.65 2h42 h GLN 552 Ca 0.34 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.72 2h42 h GLN 552 Cb -0.14 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.41 2h42 h GLN 552 CO -0.07 0.32 0.30 1.15 -1.93 0.00 0.00 178.83 178.59 2h42 h THR 553 N 0.50 1.17 0.00 2.39 2.02 -1.80 -2.63 112.91 114.57 2h42 h THR 553 Ca 0.15 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2h42 h THR 553 Cb -0.02 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2h42 h THR 553 CO -0.05 0.19 0.00 -0.07 0.37 0.00 0.00 175.52 175.95 2h42 h LEU 554 N 0.71 0.00 0.28 2.58 3.38 -1.04 -3.47 115.31 117.75 2h42 h LEU 554 Ca 0.19 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 2h42 h LEU 554 Cb 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2h42 h LEU 554 CO -0.03 0.00 -0.11 0.29 0.09 0.00 0.00 178.44 178.68 2h42 n LYS 555 N -2.83 -0.83 0.00 1.13 5.02 0.02 -4.89 118.16 115.77 2h42 n LYS 555 Ca 0.02 0.59 0.05 0.00 -2.02 0.00 0.00 58.31 56.96 2h42 n LYS 555 Cb 0.35 -4.45 0.26 0.00 -0.02 0.00 0.00 35.03 31.18 2h42 n LYS 555 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2h42 n ILE 556 N -2.62 0.89 1.11 -0.18 -5.35 -1.17 -1.82 119.36 110.21 2h42 n ILE 556 Ca -0.06 0.22 0.13 0.00 -0.27 0.00 0.00 62.75 62.77 2h42 n ILE 556 Cb 0.30 -1.04 0.37 0.00 -1.74 0.00 0.00 39.64 37.53 2h42 n ILE 556 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2h42 n THR 557 N -1.35 0.00 -2.82 7.28 -1.04 -1.26 -4.24 114.28 110.85 2h42 n THR 557 Ca 0.04 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.61 2h42 n THR 557 Cb 0.10 0.16 -0.04 0.00 -1.82 0.00 0.00 70.33 68.72 2h42 n THR 557 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2h42 s ASP 558 N -2.82 7.33 0.40 8.00 1.11 -0.76 -4.57 116.67 125.36 2h42 s ASP 558 Ca 0.17 1.59 0.20 0.00 0.18 0.00 0.00 52.55 54.69 2h42 s ASP 558 Cb 0.18 -2.53 0.84 0.00 1.07 0.00 0.00 42.92 42.48 2h42 s ASP 558 CO 0.61 -0.13 1.82 -0.26 1.18 0.00 0.00 175.17 178.39 2h42 h PHE 559 N 6.19 0.00 -0.00 4.23 0.05 -1.89 -2.47 116.94 123.05 2h42 h PHE 559 Ca -0.42 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.37 2h42 h PHE 559 Cb 1.21 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.16 2h42 h PHE 559 CO 0.66 0.32 -0.01 0.43 -0.18 0.00 0.00 178.31 179.53 2h42 n SER 560 N -3.64 0.31 -4.40 2.17 7.64 -1.26 -4.86 113.62 109.57 2h42 n SER 560 Ca -0.01 -0.97 -0.45 0.00 1.01 0.00 0.00 58.87 58.45 2h42 n SER 560 Cb 0.44 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 2h42 n SER 560 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2h42 n PHE 561 N -0.81 -0.70 -4.27 1.43 7.35 -0.93 -4.77 117.46 114.74 2h42 n PHE 561 Ca 0.21 0.81 -0.17 0.00 -0.76 0.00 0.00 57.45 57.54 2h42 n PHE 561 Cb 0.18 -1.95 -0.14 0.00 0.35 0.00 0.00 39.48 37.92 2h42 n PHE 561 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2h42 s SER 562 N -0.95 0.96 0.00 -2.13 0.15 -1.26 -5.03 113.70 105.44 2h42 s SER 562 Ca 0.62 -0.21 0.20 0.00 0.70 0.00 0.00 55.95 57.26 2h42 s SER 562 Cb -0.79 -0.09 -0.19 0.00 -1.71 0.00 0.00 66.02 63.25 2h42 s SER 562 CO 0.58 0.06 0.88 -0.90 1.20 0.00 0.00 173.24 175.06 2h42 n ASP 563 N 2.66 1.09 -0.30 5.45 5.75 -1.26 -4.67 116.55 125.28 2h42 n ASP 563 Ca -0.15 -1.05 0.12 0.00 -0.01 0.00 0.00 54.79 53.71 2h42 n ASP 563 Cb 0.57 0.92 0.27 0.00 -1.03 0.00 0.00 41.12 41.86 2h42 n ASP 563 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2h42 h PHE 564 N 0.34 0.27 -0.11 2.11 0.04 -2.02 0.17 116.94 117.74 2h42 h PHE 564 Ca 0.00 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2h42 h PHE 564 Cb 0.51 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.68 2h42 h PHE 564 CO 0.00 -0.23 0.00 0.39 -0.60 0.00 0.00 178.31 177.87 2h42 n GLU 565 N -5.26 1.44 -4.28 1.51 1.02 -1.26 -4.87 120.64 108.93 2h42 n GLU 565 Ca 0.21 -0.48 -0.31 0.00 -0.02 0.00 0.00 57.16 56.56 2h42 n GLU 565 Cb 0.67 -1.32 -0.09 0.00 -0.02 0.00 0.00 31.44 30.67 2h42 n GLU 565 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2h42 s LEU 566 N -0.77 3.21 0.62 -4.62 1.43 0.58 -5.13 118.68 114.00 2h42 s LEU 566 Ca 0.09 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2h42 s LEU 566 Cb 0.05 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.38 2h42 s LEU 566 CO 0.04 0.22 0.90 -0.94 0.23 0.00 0.00 176.35 176.80 2h42 s SER 567 N -1.94 5.22 0.10 2.29 1.04 -1.26 -4.92 113.70 114.23 2h42 s SER 567 Ca 0.21 0.41 -0.25 0.00 0.48 0.00 0.00 55.95 56.80 2h42 s SER 567 Cb -0.11 -1.26 -0.10 0.00 0.10 0.00 0.00 66.02 64.65 2h42 s SER 567 CO 0.13 -1.27 1.68 0.44 0.98 0.00 0.00 173.24 175.20 2h42 h ASP 568 N -0.25 -0.39 -0.56 7.02 3.32 -2.00 -1.79 116.42 121.79 2h42 h ASP 568 Ca -0.44 0.05 0.11 0.00 0.02 0.00 0.00 57.03 56.77 2h42 h ASP 568 Cb 1.29 0.15 -0.10 0.00 0.22 0.00 0.00 39.33 40.89 2h42 h ASP 568 CO 0.58 -0.21 -0.09 0.25 -1.72 0.00 0.00 179.24 178.06 2h42 h LEU 569 N -0.28 -0.42 -0.95 1.55 5.85 -1.99 -0.41 115.31 118.65 2h42 h LEU 569 Ca 0.02 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.97 2h42 h LEU 569 Cb 0.29 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 2h42 h LEU 569 CO -0.08 -0.16 0.61 -0.33 -0.34 0.00 0.00 178.44 178.14 2h42 h GLU 570 N 0.04 1.07 -0.23 1.25 5.08 -1.82 0.56 114.58 120.52 2h42 h GLU 570 Ca 0.28 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2h42 h GLU 570 Cb 0.43 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2h42 h GLU 570 CO -0.54 0.71 -0.07 1.79 -1.00 0.00 0.00 179.01 179.90 2h42 h THR 571 N 1.10 1.18 -0.50 1.13 1.35 -0.26 0.48 112.91 117.40 2h42 h THR 571 Ca 0.42 -0.77 -0.09 0.00 -0.55 0.00 0.00 66.41 65.42 2h42 h THR 571 Cb 0.18 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 2h42 h THR 571 CO -0.18 0.25 -0.04 0.00 -0.25 0.00 0.00 175.52 175.31 2h42 h ALA 572 N 1.59 0.68 -0.59 6.62 0.00 0.01 -1.00 119.26 126.56 2h42 h ALA 572 Ca 0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2h42 h ALA 572 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2h42 h ALA 572 CO 0.02 0.52 0.16 -0.07 0.00 0.00 0.00 179.25 179.87 2h42 h LEU 573 N 0.76 0.89 -0.87 0.00 3.38 -0.10 -1.31 115.31 118.06 2h42 h LEU 573 Ca 0.14 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2h42 h LEU 573 Cb 0.57 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 2h42 h LEU 573 CO 0.03 0.88 0.56 0.00 0.09 0.00 0.00 178.44 180.01 2h42 h THR 575 N 1.09 1.23 -0.38 0.00 2.02 -0.64 0.00 112.91 116.22 2h42 h THR 575 Ca 0.35 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 2h42 h THR 575 Cb 0.01 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 2h42 h THR 575 CO -0.12 0.25 0.19 0.40 0.37 0.00 0.00 175.52 176.61 2h42 h ILE 576 N 1.03 1.17 -0.79 3.11 2.04 -0.43 -2.17 117.51 121.47 2h42 h ILE 576 Ca 0.26 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.72 2h42 h ILE 576 Cb 0.04 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2h42 h ILE 576 CO -0.04 0.18 0.51 -0.09 0.00 0.00 0.00 178.15 178.71 2h42 h ARG 577 N 0.48 0.83 -0.30 2.37 9.65 -0.41 0.01 114.38 127.01 2h42 h ARG 577 Ca 0.13 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 2h42 h ARG 577 Cb 0.11 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 2h42 h ARG 577 CO -0.02 0.55 0.10 0.52 2.80 0.00 0.00 179.97 183.92 2h42 h MET 578 N 0.85 0.47 -0.68 0.20 2.86 -0.48 0.02 114.93 118.16 2h42 h MET 578 Ca 0.34 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 2h42 h MET 578 Cb 0.23 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2h42 h MET 578 CO -0.12 0.51 0.22 0.74 1.06 0.00 0.00 176.91 179.33 2h42 h PHE 579 N 0.33 1.09 0.53 -0.22 -1.00 -0.77 -2.71 116.94 114.18 2h42 h PHE 579 Ca 0.10 -0.11 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 2h42 h PHE 579 Cb 0.24 -0.32 0.01 0.00 3.61 0.00 0.00 35.95 39.49 2h42 h PHE 579 CO 0.00 0.87 -0.25 1.15 -1.61 0.00 0.00 178.31 178.48 2h42 h THR 580 N 0.99 0.40 0.00 -1.55 2.02 -0.85 -1.53 112.91 112.39 2h42 h THR 580 Ca 0.22 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2h42 h THR 580 Cb 0.29 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2h42 h THR 580 CO -0.01 0.04 0.00 0.47 0.37 0.00 0.00 175.52 176.40 2h42 n ASP 581 N -5.32 0.23 -1.34 4.18 9.92 -0.02 -0.77 116.55 123.42 2h42 n ASP 581 Ca -0.11 0.57 0.12 0.00 -0.53 0.00 0.00 54.79 54.84 2h42 n ASP 581 Cb 0.32 -0.61 0.32 0.00 -0.64 0.00 0.00 41.12 40.51 2h42 n ASP 581 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2h42 n LEU 582 N -1.77 3.90 -0.54 0.64 4.77 -1.02 -4.93 117.00 118.05 2h42 n LEU 582 Ca 0.02 -1.94 -0.07 0.00 -0.03 0.00 0.00 56.01 53.99 2h42 n LEU 582 Cb 0.12 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 2h42 n LEU 582 CO 0.11 0.97 -0.07 0.59 -1.33 0.00 0.00 177.39 177.67 2h42 n ASN 583 N 1.64 -5.14 -0.14 -1.43 3.02 0.05 -4.88 115.26 108.37 2h42 n ASN 583 Ca 0.24 0.17 -0.12 0.00 -0.03 0.00 0.00 54.58 54.85 2h42 n ASN 583 Cb 0.62 -3.26 -0.01 0.00 -0.61 0.00 0.00 39.78 36.53 2h42 n ASN 583 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2h42 h LEU 584 N 0.00 1.02 -0.78 3.41 3.38 -1.45 0.10 115.31 120.99 2h42 h LEU 584 Ca -0.14 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.36 2h42 h LEU 584 Cb 0.89 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2h42 h LEU 584 CO 0.21 1.22 0.31 0.58 0.09 0.00 0.00 178.44 180.84 2h42 h VAL 585 N 0.83 1.26 0.19 1.22 2.07 -1.79 -1.82 116.25 118.21 2h42 h VAL 585 Ca 0.09 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2h42 h VAL 585 Cb 0.87 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2h42 h VAL 585 CO 0.08 0.33 -0.09 -0.61 0.02 0.00 0.00 177.57 177.30 2h42 h GLN 586 N 1.13 -0.24 0.00 1.57 4.15 -1.85 -1.67 115.11 118.20 2h42 h GLN 586 Ca 0.26 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 2h42 h GLN 586 Cb 0.22 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 2h42 h GLN 586 CO -0.02 0.05 -0.06 -0.91 -1.93 0.00 0.00 178.83 175.96 2h42 h ASN 587 N -1.00 0.00 -0.20 -0.69 2.35 -0.84 -2.67 115.58 112.54 2h42 h ASN 587 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2h42 h ASN 587 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2h42 h ASN 587 CO 0.04 0.06 0.00 0.49 -1.65 0.00 0.00 177.43 176.37 2h42 n PHE 588 N -3.50 0.47 -3.98 1.19 3.72 -0.68 -5.01 117.46 109.67 2h42 n PHE 588 Ca -0.02 -0.71 -0.28 0.00 -0.05 0.00 0.00 57.45 56.39 2h42 n PHE 588 Cb 0.18 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 38.57 2h42 n PHE 588 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2h42 n GLN 589 N -0.33 -3.85 -2.53 -1.08 6.02 -1.01 -4.46 117.38 110.15 2h42 n GLN 589 Ca 0.14 0.46 -0.42 0.00 -0.01 0.00 0.00 57.00 57.17 2h42 n GLN 589 Cb 0.59 -4.91 -0.03 0.00 1.02 0.00 0.00 30.24 26.90 2h42 n GLN 589 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2h42 s MET 590 N -6.59 4.51 0.16 -1.09 -1.94 -0.65 -4.86 119.30 108.84 2h42 s MET 590 Ca 0.29 1.66 -0.30 0.00 -1.71 0.00 0.00 55.69 55.63 2h42 s MET 590 Cb -0.16 -3.36 -0.07 0.00 2.01 0.00 0.00 34.83 33.26 2h42 s MET 590 CO 0.88 -0.11 1.02 0.15 -0.01 0.00 0.00 175.02 176.95 2h42 s LYS 591 N 0.66 4.67 0.17 2.03 1.02 -1.26 -4.91 119.74 122.11 2h42 s LYS 591 Ca 0.54 1.58 -0.20 0.00 0.02 0.00 0.00 55.97 57.91 2h42 s LYS 591 Cb -0.27 -3.32 0.08 0.00 -0.52 0.00 0.00 37.83 33.80 2h42 s LYS 591 CO 0.30 0.19 1.63 1.25 -0.92 0.00 0.00 175.35 177.80 2h42 h HIS 592 N 5.18 -0.56 -0.82 3.18 -0.00 -1.98 -1.66 115.15 118.48 2h42 h HIS 592 Ca -0.44 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 2h42 h HIS 592 Cb 1.21 0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 28.88 2h42 h HIS 592 CO 0.63 -0.30 0.53 1.49 -0.00 0.00 0.00 177.93 180.29 2h42 h GLU 593 N -0.16 1.09 -0.50 5.26 4.81 -1.96 -1.44 114.58 121.69 2h42 h GLU 593 Ca 0.18 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2h42 h GLU 593 Cb 0.44 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2h42 h GLU 593 CO -0.47 0.74 0.15 0.28 -0.73 0.00 0.00 179.01 178.97 2h42 h VAL 594 N 1.12 1.23 -0.69 0.32 2.07 -1.66 -1.45 116.25 117.19 2h42 h VAL 594 Ca 0.30 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 2h42 h VAL 594 Cb -0.10 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2h42 h VAL 594 CO -0.06 0.29 0.24 0.25 0.02 0.00 0.00 177.57 178.30 2h42 h LEU 595 N 0.68 0.96 -0.39 2.57 5.85 -1.01 -0.26 115.31 123.71 2h42 h LEU 595 Ca 0.16 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2h42 h LEU 595 Cb 0.28 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2h42 h LEU 595 CO -0.00 0.88 0.14 0.00 -0.34 0.00 0.00 178.44 179.12 2h42 h ARG 597 N 0.48 0.63 -0.25 0.00 2.43 -0.92 -1.77 114.38 114.99 2h42 h ARG 597 Ca 0.13 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 2h42 h ARG 597 Cb 0.22 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2h42 h ARG 597 CO -0.01 0.82 0.03 2.35 -1.51 0.00 0.00 179.97 181.65 2h42 h TRP 598 N 0.56 0.44 -0.63 2.20 7.01 -0.82 0.39 115.95 125.10 2h42 h TRP 598 Ca 0.08 -0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.03 2h42 h TRP 598 Cb 0.71 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.61 2h42 h TRP 598 CO 0.03 0.54 0.40 0.82 -2.79 0.00 0.00 178.44 177.44 2h42 h ILE 599 N 0.21 1.11 -0.19 2.65 2.04 -1.05 -0.59 117.51 121.69 2h42 h ILE 599 Ca 0.07 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 2h42 h ILE 599 Cb 0.35 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2h42 h ILE 599 CO 0.01 0.15 -0.32 -0.07 0.00 0.00 0.00 178.15 177.91 2h42 h LEU 600 N 0.80 0.40 -0.67 1.44 3.38 -1.14 -0.96 115.31 118.56 2h42 h LEU 600 Ca 0.24 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2h42 h LEU 600 Cb -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2h42 h LEU 600 CO -0.08 0.71 -0.16 0.28 0.09 0.00 0.00 178.44 179.28 2h42 h SER 601 N 0.34 0.88 -0.08 -0.43 0.02 -0.19 0.89 113.55 114.98 2h42 h SER 601 Ca 0.04 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 2h42 h SER 601 Cb 0.74 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2h42 h SER 601 CO 0.06 1.03 0.01 0.58 -1.14 0.00 0.00 176.83 177.37 2h42 h VAL 602 N 0.77 1.21 -0.37 2.27 2.07 -0.86 -2.18 116.25 119.16 2h42 h VAL 602 Ca 0.12 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.03 2h42 h VAL 602 Cb 0.68 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 2h42 h VAL 602 CO 0.05 0.18 0.15 0.50 0.02 0.00 0.00 177.57 178.47 2h42 h LYS 603 N -0.11 0.30 0.00 1.57 3.64 -0.99 -2.04 116.57 118.94 2h42 h LYS 603 Ca 0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2h42 h LYS 603 Cb 0.27 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2h42 h LYS 603 CO 0.00 0.20 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.10 2h42 h LYS 604 N 0.31 0.00 -0.40 1.90 3.64 -0.72 -2.55 116.57 118.75 2h42 h LYS 604 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2h42 h LYS 604 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2h42 h LYS 604 CO -0.15 0.06 0.00 0.09 -2.27 0.00 0.00 179.45 177.18 2h42 n ASN 605 N -3.87 1.68 -4.80 4.20 3.02 -0.77 -4.77 115.26 109.94 2h42 n ASN 605 Ca -0.03 -2.08 -0.27 0.00 -0.03 0.00 0.00 54.58 52.18 2h42 n ASN 605 Cb 0.15 -0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 39.00 2h42 n ASN 605 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2h42 s TYR 606 N -1.65 3.17 -0.40 3.10 1.51 -0.96 -1.70 117.35 120.43 2h42 s TYR 606 Ca 0.17 0.00 -0.14 0.00 -1.01 0.00 0.00 57.07 56.09 2h42 s TYR 606 Cb 0.10 -1.53 0.02 0.00 -0.11 0.00 0.00 41.96 40.44 2h42 s TYR 606 CO 0.10 0.52 0.28 1.03 -1.11 0.00 0.00 175.55 176.37 2h42 s ARG 607 N -3.02 3.00 0.38 -0.62 0.52 -1.26 -4.85 118.95 113.11 2h42 s ARG 607 Ca 0.31 -0.99 0.27 0.00 -0.52 0.00 0.00 55.73 54.80 2h42 s ARG 607 Cb -0.10 -3.92 1.35 0.00 0.52 0.00 0.00 34.95 32.79 2h42 s ARG 607 CO 0.23 -0.71 1.83 -0.22 0.02 0.00 0.00 175.30 176.45 2h42 h LYS 608 N 8.58 0.00 -0.00 3.54 3.64 -1.94 -0.73 116.57 129.66 2h42 h LYS 608 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2h42 h LYS 608 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2h42 h LYS 608 CO 0.71 0.00 -0.04 0.27 -2.27 0.00 0.00 179.45 178.12 2h42 n ASN 609 N -2.48 0.13 -4.65 4.20 6.94 -1.26 -4.65 115.26 113.50 2h42 n ASN 609 Ca -0.00 -0.22 -0.40 0.00 -0.02 0.00 0.00 54.58 53.93 2h42 n ASN 609 Cb 0.13 -0.23 -0.06 0.00 -2.36 0.00 0.00 39.78 37.26 2h42 n ASN 609 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2h42 s VAL 610 N -2.58 5.00 0.15 3.53 1.01 -0.28 -4.98 120.40 122.23 2h42 s VAL 610 Ca 0.27 1.19 -0.23 0.00 0.00 0.00 0.00 61.98 63.21 2h42 s VAL 610 Cb 0.20 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2h42 s VAL 610 CO 0.48 0.07 1.63 0.00 0.00 0.00 0.00 175.10 177.27 2h42 h ALA 611 N 7.65 -0.18 0.00 5.51 0.00 -1.86 -3.40 119.26 126.98 2h42 h ALA 611 Ca -0.29 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 2h42 h ALA 611 Cb 1.13 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2h42 h ALA 611 CO 0.78 -0.69 -1.29 0.98 0.00 0.00 0.00 179.25 179.03 2h42 n TYR 612 N -5.38 0.00 -1.70 0.00 9.36 -1.26 -4.78 117.16 113.39 2h42 n TYR 612 Ca -0.01 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.80 2h42 n TYR 612 Cb 0.30 -0.50 -0.03 0.00 -0.63 0.00 0.00 39.34 38.48 2h42 n TYR 612 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2h42 n HIS 613 N -4.07 3.05 -4.03 2.98 8.25 -1.26 -4.25 115.22 115.88 2h42 n HIS 613 Ca -0.22 -2.38 -0.02 0.00 -0.26 0.00 0.00 57.72 54.85 2h42 n HIS 613 Cb 0.54 -2.29 -0.00 0.00 1.12 0.00 0.00 29.99 29.35 2h42 n HIS 613 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2h42 n ASN 614 N 7.92 1.16 -0.35 0.41 0.23 -1.26 -4.68 115.26 118.69 2h42 n ASN 614 Ca 0.50 -1.13 0.12 0.00 -0.53 0.00 0.00 54.58 53.53 2h42 n ASN 614 Cb 0.41 0.06 0.31 0.00 -2.08 0.00 0.00 39.78 38.48 2h42 n ASN 614 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2h42 h TRP 615 N 1.04 1.07 -0.68 -2.53 2.91 -1.87 -1.98 115.95 113.90 2h42 h TRP 615 Ca -0.02 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.01 2h42 h TRP 615 Cb 0.07 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 28.37 2h42 h TRP 615 CO 0.00 0.28 0.32 0.00 -1.03 0.00 0.00 178.44 178.02 2h42 h ARG 616 N 0.80 0.97 -0.17 2.65 2.47 -1.96 0.17 114.38 119.32 2h42 h ARG 616 Ca 0.56 -0.13 -0.14 0.00 -1.26 0.00 0.00 59.98 59.00 2h42 h ARG 616 Cb 0.81 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 2h42 h ARG 616 CO -0.34 0.76 -0.50 1.25 0.56 0.00 0.00 179.97 181.70 2h42 h HIS 617 N 0.97 0.56 -0.19 3.04 2.76 -1.54 0.14 115.15 120.88 2h42 h HIS 617 Ca 0.24 -0.18 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 2h42 h HIS 617 Cb 0.11 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2h42 h HIS 617 CO 0.01 0.86 -0.03 0.00 -1.30 0.00 0.00 177.93 177.47 2h42 h ALA 618 N 1.11 0.26 -0.53 5.26 0.00 -1.16 0.89 119.26 125.08 2h42 h ALA 618 Ca 0.02 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2h42 h ALA 618 Cb 1.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2h42 h ALA 618 CO 0.09 0.02 0.32 0.35 0.00 0.00 0.00 179.25 180.03 2h42 h PHE 619 N 0.09 0.60 -0.10 0.00 3.57 -0.55 -1.38 116.94 119.17 2h42 h PHE 619 Ca 0.05 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 2h42 h PHE 619 Cb 0.46 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2h42 h PHE 619 CO 0.05 0.34 -0.29 -0.91 -2.23 0.00 0.00 178.31 175.27 2h42 h ASN 620 N 0.64 0.18 -0.58 0.41 2.35 -0.51 0.05 115.58 118.12 2h42 h ASN 620 Ca 0.21 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 2h42 h ASN 620 Cb 0.02 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2h42 h ASN 620 CO -0.09 0.48 -0.01 0.74 -1.65 0.00 0.00 177.43 176.90 2h42 h THR 621 N 0.17 1.26 -0.32 2.81 2.02 -0.10 -1.53 112.91 117.22 2h42 h THR 621 Ca 0.02 -1.15 -0.09 0.00 0.77 0.00 0.00 66.41 65.96 2h42 h THR 621 Cb 0.61 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2h42 h THR 621 CO 0.04 0.42 -0.16 0.00 0.37 0.00 0.00 175.52 176.19 2h42 h ALA 622 N 1.03 0.45 -0.65 6.16 0.00 -0.68 -2.03 119.26 123.53 2h42 h ALA 622 Ca 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2h42 h ALA 622 Cb 0.56 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2h42 h ALA 622 CO 0.03 0.36 0.32 0.37 0.00 0.00 0.00 179.25 180.33 2h42 h GLN 623 N 0.43 0.94 -0.82 0.00 -0.00 -0.87 0.22 115.11 115.02 2h42 h GLN 623 Ca 0.07 -0.14 -0.00 0.00 -0.00 0.00 0.00 58.65 58.58 2h42 h GLN 623 Cb 0.69 -0.17 -0.04 0.00 0.00 0.00 0.00 27.48 27.96 2h42 h GLN 623 CO 0.05 0.75 0.51 0.00 0.00 0.00 0.00 178.83 180.13 2h42 h MET 625 N 1.13 1.25 -0.55 0.00 1.85 -0.69 0.16 114.93 118.08 2h42 h MET 625 Ca 0.30 -0.15 -0.06 0.00 -0.61 0.00 0.00 59.70 59.17 2h42 h MET 625 Cb -0.06 -0.24 -0.02 0.00 0.43 0.00 0.00 31.60 31.71 2h42 h MET 625 CO -0.06 0.92 0.10 0.35 -0.40 0.00 0.00 176.91 177.82 2h42 h PHE 626 N 1.25 0.96 -0.37 1.39 3.57 -0.09 -1.72 116.94 121.94 2h42 h PHE 626 Ca 0.31 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 2h42 h PHE 626 Cb 0.04 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 2h42 h PHE 626 CO 0.01 0.85 0.09 0.00 -2.23 0.00 0.00 178.31 177.03 2h42 h ALA 627 N 1.00 0.49 -0.39 2.41 0.00 -0.18 -0.91 119.26 121.68 2h42 h ALA 627 Ca 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2h42 h ALA 627 Cb 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2h42 h ALA 627 CO 0.01 0.17 0.05 0.00 0.00 0.00 0.00 179.25 179.47 2h42 h ALA 628 N 0.93 1.35 -0.15 0.00 0.00 -0.62 0.23 119.26 121.00 2h42 h ALA 628 Ca 0.12 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 2h42 h ALA 628 Cb 0.31 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2h42 h ALA 628 CO 0.00 0.45 -0.78 -0.07 0.00 0.00 0.00 179.25 178.85 2h42 h LEU 629 N 0.58 0.93 0.00 0.00 3.38 -1.08 -0.91 115.31 118.22 2h42 h LEU 629 Ca 0.13 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2h42 h LEU 629 Cb 0.30 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2h42 h LEU 629 CO 0.01 1.41 0.00 0.29 0.09 0.00 0.00 178.44 180.24 2h42 n LYS 630 N -3.93 0.00 -0.21 1.13 4.76 -0.37 -1.13 118.16 118.41 2h42 n LYS 630 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 2h42 n LYS 630 Cb 0.75 -0.31 0.23 0.00 -1.84 0.00 0.00 35.03 33.86 2h42 n LYS 630 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2h42 h ALA 631 N -2.00 1.43 0.00 7.82 0.00 -1.39 -0.36 119.26 124.75 2h42 h ALA 631 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2h42 h ALA 631 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2h42 h ALA 631 CO 0.00 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.17 2h42 n GLY 632 N -1.35 -1.45 2.39 0.00 0.00 0.67 -4.76 105.19 100.68 2h42 n GLY 632 Ca 0.08 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 2h42 n GLY 632 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h42 n LYS 633 N -2.01 -1.64 0.19 1.61 5.02 -0.15 -4.29 118.16 116.89 2h42 n LYS 633 Ca 0.05 0.94 0.10 0.00 -2.02 0.00 0.00 58.31 57.38 2h42 n LYS 633 Cb 0.32 -5.53 0.12 0.00 -0.02 0.00 0.00 35.03 29.92 2h42 n LYS 633 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2h42 h ILE 634 N -0.03 0.15 -0.42 -0.18 1.08 -0.80 -3.37 117.51 113.94 2h42 h ILE 634 Ca -0.46 -1.22 0.09 0.00 -0.39 0.00 0.00 64.86 62.87 2h42 h ILE 634 Cb 1.34 2.02 -0.09 0.00 -3.07 0.00 0.00 36.82 37.02 2h42 h ILE 634 CO 0.55 0.09 -0.24 -0.61 -0.69 0.00 0.00 178.15 177.25 2h42 h GLN 635 N 0.00 -0.15 0.00 2.37 4.15 -1.35 -1.21 115.11 118.92 2h42 h GLN 635 Ca -0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2h42 h GLN 635 Cb 1.08 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.80 2h42 h GLN 635 CO 0.01 -0.10 0.00 0.27 -1.93 0.00 0.00 178.83 177.08 2h42 n ASN 636 N -5.40 0.00 -0.44 -0.69 6.94 -1.26 -1.43 115.26 112.97 2h42 n ASN 636 Ca 0.02 -0.34 0.11 0.00 -0.02 0.00 0.00 54.58 54.35 2h42 n ASN 636 Cb 0.31 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.74 2h42 n ASN 636 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2h42 n LYS 637 N -1.00 1.09 -4.47 -3.83 5.02 -0.46 -4.98 118.16 109.54 2h42 n LYS 637 Ca 0.08 -0.89 -0.23 0.00 -2.02 0.00 0.00 58.31 55.25 2h42 n LYS 637 Cb 0.04 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.46 2h42 n LYS 637 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2h42 s LEU 638 N -2.52 2.52 0.46 -0.35 1.43 -0.52 -5.09 118.68 114.61 2h42 s LEU 638 Ca 0.18 -1.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.05 2h42 s LEU 638 Cb 0.18 -0.69 0.01 0.00 0.03 0.00 0.00 46.19 45.72 2h42 s LEU 638 CO 0.59 -0.37 0.67 0.42 0.23 0.00 0.00 176.35 177.89 2h42 s THR 639 N -2.96 3.62 0.30 5.49 -4.23 -1.26 -4.94 115.64 111.66 2h42 s THR 639 Ca 0.32 -0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 60.20 2h42 s THR 639 Cb 0.05 -3.33 0.23 0.00 1.34 0.00 0.00 72.50 70.79 2h42 s THR 639 CO 0.14 -0.22 1.93 0.44 -0.54 0.00 0.00 174.62 176.37 2h42 h ASP 640 N 0.38 0.85 -0.59 3.99 3.32 -1.97 -0.58 116.42 121.82 2h42 h ASP 640 Ca -0.45 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.47 2h42 h ASP 640 Cb 1.27 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 2h42 h ASP 640 CO 0.55 0.69 0.12 -0.07 -1.72 0.00 0.00 179.24 178.81 2h42 h LEU 641 N 0.97 0.92 -0.68 1.55 3.38 -1.99 0.13 115.31 119.59 2h42 h LEU 641 Ca 0.25 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2h42 h LEU 641 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2h42 h LEU 641 CO -0.04 0.93 -0.36 -0.33 0.09 0.00 0.00 178.44 178.72 2h42 h GLU 642 N 0.87 0.61 -0.34 1.13 5.08 -1.81 -1.52 114.58 118.59 2h42 h GLU 642 Ca 0.18 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 2h42 h GLU 642 Cb 0.38 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2h42 h GLU 642 CO 0.01 0.88 -0.39 0.82 -1.00 0.00 0.00 179.01 179.33 2h42 h ILE 643 N 0.51 1.28 0.15 3.13 2.04 -0.88 -0.36 117.51 123.39 2h42 h ILE 643 Ca 0.05 -1.56 0.01 0.00 1.00 0.00 0.00 64.86 64.36 2h42 h ILE 643 Cb 0.87 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2h42 h ILE 643 CO 0.07 0.52 -0.22 0.25 0.00 0.00 0.00 178.15 178.77 2h42 h LEU 644 N 0.66 -0.60 -0.93 1.44 5.85 -0.57 -0.69 115.31 120.48 2h42 h LEU 644 Ca 0.05 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2h42 h LEU 644 Cb 0.98 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 2h42 h LEU 644 CO 0.09 -0.31 0.58 0.00 -0.34 0.00 0.00 178.44 178.47 2h42 h ALA 645 N 0.33 1.18 -0.52 1.25 0.00 -1.20 -2.16 119.26 118.14 2h42 h ALA 645 Ca 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2h42 h ALA 645 Cb 0.43 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2h42 h ALA 645 CO -0.10 0.61 0.14 -0.07 0.00 0.00 0.00 179.25 179.83 2h42 h LEU 646 N 1.27 0.79 -0.23 0.00 3.38 -0.67 0.97 115.31 120.81 2h42 h LEU 646 Ca 0.34 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2h42 h LEU 646 Cb -0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2h42 h LEU 646 CO -0.07 0.81 -0.07 0.25 0.09 0.00 0.00 178.44 179.45 2h42 h LEU 647 N 0.73 0.47 -0.31 1.67 5.85 -0.94 0.11 115.31 122.88 2h42 h LEU 647 Ca 0.17 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2h42 h LEU 647 Cb 0.32 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2h42 h LEU 647 CO 0.00 0.74 0.18 0.40 -0.34 0.00 0.00 178.44 179.42 2h42 h ILE 648 N 0.19 1.03 -0.52 4.05 2.04 -1.33 -2.10 117.51 120.87 2h42 h ILE 648 Ca 0.06 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 2h42 h ILE 648 Cb 0.55 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2h42 h ILE 648 CO 0.03 0.07 0.02 0.00 0.00 0.00 0.00 178.15 178.26 2h42 h ALA 649 N 1.14 1.06 -0.91 1.87 0.00 -0.70 -0.60 119.26 121.11 2h42 h ALA 649 Ca 0.12 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2h42 h ALA 649 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2h42 h ALA 649 CO -0.06 0.59 0.60 0.00 0.00 0.00 0.00 179.25 180.39 2h42 h ALA 650 N 1.21 1.35 0.00 0.00 0.00 -0.64 0.55 119.26 121.73 2h42 h ALA 650 Ca 0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2h42 h ALA 650 Cb 0.46 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2h42 h ALA 650 CO 0.02 0.60 -0.28 -0.07 0.00 0.00 0.00 179.25 179.52 2h42 h LEU 651 N 1.23 0.00 -0.94 0.00 3.38 -0.85 -3.38 115.31 114.75 2h42 h LEU 651 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2h42 h LEU 651 Cb -0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2h42 h LEU 651 CO -0.07 0.28 -0.15 -1.20 0.09 0.00 0.00 178.44 177.39 2h42 n SER 652 N -3.17 1.40 0.26 -0.43 7.64 -0.28 -4.76 113.62 114.29 2h42 n SER 652 Ca 0.03 -1.20 0.18 0.00 1.01 0.00 0.00 58.87 58.89 2h42 n SER 652 Cb 0.64 0.33 0.91 0.00 -1.01 0.00 0.00 64.21 65.09 2h42 n SER 652 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2h42 h HIS 653 N 1.39 0.00 0.00 1.43 2.07 -1.07 -2.74 115.15 116.23 2h42 h HIS 653 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2h42 h HIS 653 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 2h42 h HIS 653 CO 0.00 0.00 -0.03 -0.25 -3.07 0.00 0.00 177.93 174.58 2h42 n ASP 654 N -2.78 2.16 -4.60 3.10 8.00 -1.26 -4.84 116.55 116.33 2h42 n ASP 654 Ca -0.02 -2.91 -0.48 0.00 0.71 0.00 0.00 54.79 52.10 2h42 n ASP 654 Cb 0.10 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 2h42 n ASP 654 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2h42 n LEU 655 N -1.26 1.95 -1.80 0.64 4.77 -1.03 -1.55 117.00 118.72 2h42 n LEU 655 Ca 0.13 1.14 -0.17 0.00 -0.03 0.00 0.00 56.01 57.08 2h42 n LEU 655 Cb 0.61 -1.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.40 2h42 n LEU 655 CO 0.01 -1.07 -0.21 -0.67 -1.33 0.00 0.00 177.39 174.12 2h42 n ASP 656 N 2.08 -5.08 -4.77 -1.43 2.03 -0.69 -4.55 116.55 104.14 2h42 n ASP 656 Ca 0.14 0.10 -0.40 0.00 0.52 0.00 0.00 54.79 55.15 2h42 n ASP 656 Cb 0.26 -4.15 -0.02 0.00 -0.72 0.00 0.00 41.12 36.50 2h42 n ASP 656 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2h42 s HIS 657 N -2.80 2.95 -0.45 -0.67 2.46 -0.59 -4.94 115.29 111.25 2h42 s HIS 657 Ca 0.00 1.40 0.11 0.00 0.47 0.00 0.00 55.06 57.03 2h42 s HIS 657 Cb 0.00 -3.70 0.29 0.00 -0.13 0.00 0.00 32.58 29.04 2h42 s HIS 657 CO 0.00 -2.00 1.23 0.54 -2.47 0.00 0.00 174.74 172.03 2h42 n ARG 658 N 0.60 2.73 -0.98 2.88 1.74 -1.26 -4.45 116.66 117.93 2h42 n ARG 658 Ca 0.01 -2.17 0.00 0.00 -0.77 0.00 0.00 57.85 54.92 2h42 n ARG 658 Cb 0.42 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 2h42 n ARG 658 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2h42 n GLY 659 N -0.18 0.52 3.71 -0.13 0.00 -1.26 -4.99 105.19 102.86 2h42 n GLY 659 Ca 0.12 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 2h42 n GLY 659 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h42 s VAL 660 N -2.00 5.36 0.07 1.61 1.01 -1.26 -4.71 120.40 120.48 2h42 s VAL 660 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.22 2h42 s VAL 660 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2h42 s VAL 660 CO 0.00 0.42 -0.17 0.20 0.00 0.00 0.00 175.10 175.55 2h42 s ASN 661 N 0.54 1.99 0.34 3.32 0.01 -1.26 -5.15 114.94 114.73 2h42 s ASN 661 Ca 0.08 -0.61 0.04 0.00 -0.71 0.00 0.00 52.86 51.66 2h42 s ASN 661 Cb -0.12 -0.10 -0.02 0.00 0.41 0.00 0.00 41.25 41.43 2h42 s ASN 661 CO -0.00 -0.00 0.50 0.20 -1.51 0.00 0.00 177.10 176.28 2h42 s ASN 662 N -1.66 6.07 -0.20 -1.22 0.01 -1.26 -5.10 114.94 111.58 2h42 s ASN 662 Ca 0.02 0.06 -0.01 0.00 -0.71 0.00 0.00 52.86 52.22 2h42 s ASN 662 Cb -0.10 -1.55 0.00 0.00 0.41 0.00 0.00 41.25 40.01 2h42 s ASN 662 CO 0.03 -0.39 -0.12 -0.55 -1.51 0.00 0.00 177.10 174.56 2h42 s SER 663 N -4.12 3.73 -0.39 -1.22 0.15 -1.26 -5.00 113.70 105.59 2h42 s SER 663 Ca 0.42 -0.51 0.08 0.00 0.70 0.00 0.00 55.95 56.65 2h42 s SER 663 Cb -0.09 -1.61 0.44 0.00 -1.71 0.00 0.00 66.02 63.04 2h42 s SER 663 CO 0.33 -0.00 1.09 -1.22 1.20 0.00 0.00 173.24 174.64 2h42 n TYR 664 N 4.64 2.85 -1.61 3.44 0.53 -1.26 -5.06 117.16 120.69 2h42 n TYR 664 Ca -0.19 -2.89 -0.46 0.00 -1.02 0.00 0.00 57.90 53.33 2h42 n TYR 664 Cb 0.51 -0.18 -0.04 0.00 -1.03 0.00 0.00 39.34 38.60 2h42 n TYR 664 CO 0.00 0.00 0.00 -0.89 -1.02 0.00 0.00 176.86 174.95 2h42 n ILE 665 N -0.45 0.48 -2.40 -0.72 5.41 -1.26 -4.92 119.36 115.51 2h42 n ILE 665 Ca 0.33 -0.24 -0.41 0.00 1.00 0.00 0.00 62.75 63.43 2h42 n ILE 665 Cb 0.74 -2.13 -0.03 0.00 -0.71 0.00 0.00 39.64 37.51 2h42 n ILE 665 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2h42 s GLN 666 N 5.19 4.49 0.22 0.38 -1.52 -1.26 -5.23 119.66 121.93 2h42 s GLN 666 Ca 0.97 1.84 0.13 0.00 -1.95 0.00 0.00 55.36 56.34 2h42 s GLN 666 Cb -0.57 -3.27 -0.03 0.00 -0.22 0.00 0.00 33.01 28.93 2h42 s GLN 666 CO 0.45 -0.12 1.37 0.07 -0.25 0.00 0.00 175.29 176.81 2h42 h ARG 667 N 5.64 0.00 0.00 2.91 0.11 -2.01 -3.51 114.38 117.52 2h42 h ARG 667 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2h42 h ARG 667 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2h42 h ARG 667 CO 0.76 0.65 0.00 0.00 0.10 0.00 0.00 179.97 181.48 2h42 n HIS 678 N 0.00 0.21 -2.93 0.00 8.25 -1.26 -5.00 115.22 114.50 2h42 n HIS 678 Ca 0.00 -1.04 -0.19 0.00 -0.26 0.00 0.00 57.72 56.23 2h42 n HIS 678 Cb 0.00 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2h42 n HIS 678 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2h42 n SER 679 N -0.00 -4.39 -0.13 0.41 7.64 -1.26 -4.88 113.62 111.01 2h42 n SER 679 Ca 0.00 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2h42 n SER 679 Cb 0.98 -3.64 0.27 0.00 -1.01 0.00 0.00 64.21 60.81 2h42 n SER 679 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2h42 h ILE 680 N -0.68 1.18 -0.50 0.44 2.10 -2.00 -0.63 117.51 117.42 2h42 h ILE 680 Ca -0.41 -0.48 -0.12 0.00 1.08 0.00 0.00 64.86 64.94 2h42 h ILE 680 Cb 1.28 0.40 -0.02 0.00 -1.09 0.00 0.00 36.82 37.40 2h42 h ILE 680 CO 0.48 0.21 -0.14 0.24 -1.08 0.00 0.00 178.15 177.86 2h42 h MET 681 N 0.83 0.97 -0.17 2.19 2.86 -2.00 -2.35 114.93 117.25 2h42 h MET 681 Ca 0.21 -0.37 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 2h42 h MET 681 Cb 0.04 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2h42 h MET 681 CO -0.03 1.04 -0.05 0.93 1.06 0.00 0.00 176.91 179.85 2h42 h GLU 682 N 0.85 0.26 -0.51 1.72 3.07 -1.73 0.35 114.58 118.59 2h42 h GLU 682 Ca 0.13 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 2h42 h GLU 682 Cb 0.69 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 2h42 h GLU 682 CO 0.05 0.33 -0.02 0.45 -1.40 0.00 0.00 179.01 178.43 2h42 h HIS 683 N 0.25 0.94 -0.46 4.33 3.86 -0.64 0.01 115.15 123.45 2h42 h HIS 683 Ca 0.06 -0.15 -0.12 0.00 -1.16 0.00 0.00 60.37 59.00 2h42 h HIS 683 Cb 0.26 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 2h42 h HIS 683 CO 0.00 0.87 -0.18 1.25 0.86 0.00 0.00 177.93 180.74 2h42 h HIS 684 N 0.81 1.01 -0.18 2.45 -0.00 -0.75 0.15 115.15 118.63 2h42 h HIS 684 Ca 0.15 -0.22 -0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2h42 h HIS 684 Cb 0.51 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.66 2h42 h HIS 684 CO 0.03 0.99 0.11 0.45 -0.00 0.00 0.00 177.93 179.51 2h42 h HIS 685 N 0.78 0.24 -0.52 5.26 -0.00 -0.52 -0.81 115.15 119.59 2h42 h HIS 685 Ca 0.11 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.50 2h42 h HIS 685 Cb 0.71 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 28.01 2h42 h HIS 685 CO 0.04 0.19 0.31 0.35 -0.00 0.00 0.00 177.93 178.83 2h42 h PHE 686 N 0.21 0.59 -0.62 2.45 3.57 -0.73 -0.43 116.94 121.99 2h42 h PHE 686 Ca 0.06 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.66 2h42 h PHE 686 Cb 0.02 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 2h42 h PHE 686 CO -0.05 0.34 0.29 -0.44 -2.23 0.00 0.00 178.31 176.23 2h42 h ASP 687 N 0.63 0.38 -0.81 0.41 3.32 -0.56 0.15 116.42 119.94 2h42 h ASP 687 Ca 0.20 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 2h42 h ASP 687 Cb 0.00 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2h42 h ASP 687 CO -0.08 0.24 0.50 1.56 -1.72 0.00 0.00 179.24 179.73 2h42 h GLN 688 N 0.53 1.10 -0.09 3.56 1.08 -0.53 0.55 115.11 121.31 2h42 h GLN 688 Ca 0.29 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2h42 h GLN 688 Cb 0.28 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2h42 h GLN 688 CO -0.23 0.77 0.06 0.00 -0.95 0.00 0.00 178.83 178.47 2h42 h LEU 690 N 0.12 0.23 -0.64 0.00 5.85 -0.37 -1.16 115.31 119.33 2h42 h LEU 690 Ca 0.03 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.87 2h42 h LEU 690 Cb -0.01 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.88 2h42 h LEU 690 CO -0.01 0.17 0.20 -0.03 -0.34 0.00 0.00 178.44 178.42 2h42 h MET 691 N 0.27 0.33 -0.23 1.25 4.05 -0.67 -1.48 114.93 118.46 2h42 h MET 691 Ca 0.08 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 59.33 2h42 h MET 691 Cb -0.03 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 2h42 h MET 691 CO -0.02 0.22 -0.42 0.82 0.23 0.00 0.00 176.91 177.73 2h42 h ILE 692 N 0.34 1.31 -0.38 1.77 2.04 -1.08 -2.84 117.51 118.67 2h42 h ILE 692 Ca 0.34 -1.63 0.09 0.00 1.00 0.00 0.00 64.86 64.65 2h42 h ILE 692 Cb 0.49 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2h42 h ILE 692 CO -0.38 0.52 0.26 -0.07 0.00 0.00 0.00 178.15 178.48 2h42 h LEU 693 N 0.42 0.11 -3.05 1.44 3.38 -0.56 -1.82 115.31 115.23 2h42 h LEU 693 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2h42 h LEU 693 Cb 1.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2h42 h LEU 693 CO 0.10 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.28 2h42 n ASN 694 N -4.45 4.52 -4.74 -0.43 3.02 -0.62 -3.77 115.26 108.79 2h42 n ASN 694 Ca 0.06 -2.34 -0.40 0.00 -0.03 0.00 0.00 54.58 51.86 2h42 n ASN 694 Cb 0.37 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.94 2h42 n ASN 694 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2h42 s SER 695 N -0.96 7.37 0.15 6.41 0.01 -0.68 -4.95 113.70 121.04 2h42 s SER 695 Ca 0.50 1.63 -0.34 0.00 1.31 0.00 0.00 55.95 59.05 2h42 s SER 695 Cb 0.31 -2.53 -0.16 0.00 0.21 0.00 0.00 66.02 63.85 2h42 s SER 695 CO 0.26 -0.01 1.28 -0.81 0.41 0.00 0.00 173.24 174.37 2h42 n PRO 696 N 2.70 1.33 -0.67 12.44 -0.04 -1.26 -0.40 135.00 149.10 2h42 n PRO 696 Ca -0.00 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 2h42 n PRO 696 Cb 0.50 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 2h42 n PRO 696 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h42 n GLY 697 N 2.29 1.36 0.00 0.55 0.00 -1.26 -4.84 105.19 103.29 2h42 n GLY 697 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2h42 n GLY 697 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2h42 n ASN 698 N 0.00 1.73 -4.56 1.61 3.02 0.47 -4.52 115.26 113.01 2h42 n ASN 698 Ca 0.00 -1.80 -0.43 0.00 -0.03 0.00 0.00 54.58 52.32 2h42 n ASN 698 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 2h42 n ASN 698 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2h42 s GLN 699 N -0.80 3.91 0.00 3.52 -0.21 -1.23 -4.67 119.66 120.17 2h42 s GLN 699 Ca 0.00 -1.87 0.18 0.00 0.02 0.00 0.00 55.36 53.69 2h42 s GLN 699 Cb 0.00 -5.43 0.81 0.00 1.00 0.00 0.00 33.01 29.39 2h42 s GLN 699 CO 0.00 -2.18 1.59 0.44 -2.12 0.00 0.00 175.29 173.02 2h42 n ILE 700 N 6.28 0.69 -0.34 1.08 -5.35 -1.26 -2.37 119.36 118.09 2h42 n ILE 700 Ca 0.44 0.17 0.10 0.00 -0.27 0.00 0.00 62.75 63.19 2h42 n ILE 700 Cb 0.47 -0.86 0.28 0.00 -1.74 0.00 0.00 39.64 37.79 2h42 n ILE 700 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2h42 n LEU 701 N -1.46 3.73 0.30 7.28 4.77 -1.26 -4.54 117.00 125.82 2h42 n LEU 701 Ca 0.05 -2.02 0.17 0.00 -0.03 0.00 0.00 56.01 54.18 2h42 n LEU 701 Cb 0.20 -0.43 0.97 0.00 -2.33 0.00 0.00 43.42 41.84 2h42 n LEU 701 CO 0.17 0.92 1.11 0.77 -1.33 0.00 0.00 177.39 179.03 2h42 h SER 702 N 3.71 0.00 0.21 -1.43 4.64 -1.83 -1.96 113.55 116.89 2h42 h SER 702 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2h42 h SER 702 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2h42 h SER 702 CO 0.01 0.02 -0.04 0.61 -0.87 0.00 0.00 176.83 176.56 2h42 n GLY 703 N -1.07 -0.87 3.86 -0.77 0.00 -1.26 -4.86 105.19 100.22 2h42 n GLY 703 Ca -0.03 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2h42 n GLY 703 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h42 s LEU 704 N -2.26 4.11 1.00 0.99 1.02 -0.74 -4.98 118.68 117.83 2h42 s LEU 704 Ca 0.37 1.13 -0.14 0.00 0.02 0.00 0.00 54.13 55.50 2h42 s LEU 704 Cb 0.21 -3.90 0.19 0.00 0.02 0.00 0.00 46.19 42.70 2h42 s LEU 704 CO 0.42 -0.15 1.13 -0.94 0.02 0.00 0.00 176.35 176.83 2h42 s SER 705 N -2.30 2.66 0.18 2.29 1.04 -1.26 -4.73 113.70 111.58 2h42 s SER 705 Ca 0.51 0.90 -0.13 0.00 0.48 0.00 0.00 55.95 57.72 2h42 s SER 705 Cb -0.11 -1.40 0.12 0.00 0.10 0.00 0.00 66.02 64.73 2h42 s SER 705 CO 0.19 -3.08 1.81 0.40 0.98 0.00 0.00 173.24 173.54 2h42 h ILE 706 N -1.86 1.03 -0.31 -1.02 2.04 -1.98 -0.75 117.51 114.66 2h42 h ILE 706 Ca -0.50 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.03 2h42 h ILE 706 Cb 1.32 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2h42 h ILE 706 CO 0.53 0.11 -0.31 -0.33 0.00 0.00 0.00 178.15 178.15 2h42 h GLU 707 N 0.60 0.66 -0.25 2.37 4.39 -1.99 -1.62 114.58 118.74 2h42 h GLU 707 Ca 0.22 -0.30 -0.14 0.00 0.34 0.00 0.00 59.36 59.49 2h42 h GLU 707 Cb 0.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2h42 h GLU 707 CO -0.11 0.89 -0.41 0.93 -1.16 0.00 0.00 179.01 179.14 2h42 h GLU 708 N 0.56 0.59 -0.09 2.33 5.08 -1.84 -1.64 114.58 119.56 2h42 h GLU 708 Ca 0.06 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2h42 h GLU 708 Cb 0.81 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2h42 h GLU 708 CO 0.07 0.90 0.02 -0.92 -1.00 0.00 0.00 179.01 178.08 2h42 h TYR 709 N 0.48 0.16 -0.41 4.33 3.20 -1.00 -1.24 116.97 122.50 2h42 h TYR 709 Ca 0.04 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2h42 h TYR 709 Cb 0.93 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 2h42 h TYR 709 CO 0.04 0.34 0.18 0.87 -1.64 0.00 0.00 178.16 177.95 2h42 h LYS 710 N -0.07 0.35 -0.62 1.82 1.57 -1.19 -0.45 116.57 117.98 2h42 h LYS 710 Ca 0.03 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2h42 h LYS 710 Cb 0.27 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2h42 h LYS 710 CO 0.00 0.23 0.37 1.15 -0.57 0.00 0.00 179.45 180.64 2h42 h THR 711 N 0.37 1.06 -0.31 -0.16 2.02 -1.19 -2.15 112.91 112.54 2h42 h THR 711 Ca 0.18 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 2h42 h THR 711 Cb 0.12 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2h42 h THR 711 CO -0.15 0.13 0.07 0.74 0.37 0.00 0.00 175.52 176.68 2h42 h THR 712 N 0.72 1.22 -0.18 3.16 2.02 -0.62 -2.59 112.91 116.65 2h42 h THR 712 Ca 0.25 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 2h42 h THR 712 Cb 0.05 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2h42 h THR 712 CO -0.11 0.25 -0.12 -0.07 0.37 0.00 0.00 175.52 175.83 2h42 h LEU 713 N 0.34 0.28 -0.56 2.58 3.38 -0.91 0.72 115.31 121.13 2h42 h LEU 713 Ca 0.10 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2h42 h LEU 713 Cb 0.30 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2h42 h LEU 713 CO 0.00 0.43 0.01 0.50 0.09 0.00 0.00 178.44 179.48 2h42 h LYS 714 N 0.28 0.98 -0.16 1.13 3.64 -1.24 0.20 116.57 121.41 2h42 h LYS 714 Ca 0.06 -0.31 -0.07 0.00 -1.27 0.00 0.00 60.65 59.06 2h42 h LYS 714 Cb 0.39 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2h42 h LYS 714 CO 0.02 0.98 -0.17 0.82 -2.27 0.00 0.00 179.45 178.83 2h42 h ILE 715 N 0.87 1.34 -0.54 2.00 2.04 -1.02 -2.12 117.51 120.08 2h42 h ILE 715 Ca 0.16 -1.34 0.05 0.00 1.00 0.00 0.00 64.86 64.74 2h42 h ILE 715 Cb 0.53 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 2h42 h ILE 715 CO 0.03 0.40 0.26 0.40 0.00 0.00 0.00 178.15 179.24 2h42 h ILE 716 N 0.03 0.93 -0.11 -0.67 2.04 -0.78 0.12 117.51 119.07 2h42 h ILE 716 Ca 0.02 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2h42 h ILE 716 Cb 0.71 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2h42 h ILE 716 CO 0.04 0.09 0.06 0.50 0.00 0.00 0.00 178.15 178.84 2h42 h LYS 717 N 0.51 0.13 -0.75 2.37 3.64 -0.90 -0.06 116.57 121.50 2h42 h LYS 717 Ca 0.24 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2h42 h LYS 717 Cb 0.17 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2h42 h LYS 717 CO -0.18 0.08 0.38 1.96 -2.27 0.00 0.00 179.45 179.43 2h42 h GLN 718 N 0.13 1.06 -0.29 1.90 4.20 -1.03 0.20 115.11 121.28 2h42 h GLN 718 Ca 0.04 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 2h42 h GLN 718 Cb -0.00 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 2h42 h GLN 718 CO -0.02 0.80 0.06 0.00 -0.67 0.00 0.00 178.83 179.00 2h42 h ALA 719 N 1.36 0.39 -0.28 3.87 0.00 -0.55 -0.38 119.26 123.67 2h42 h ALA 719 Ca 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2h42 h ALA 719 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2h42 h ALA 719 CO -0.04 0.06 0.05 0.82 0.00 0.00 0.00 179.25 180.15 2h42 h ILE 720 N 0.31 1.23 -0.16 0.00 2.04 -0.72 -2.41 117.51 117.80 2h42 h ILE 720 Ca 0.09 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2h42 h ILE 720 Cb 0.31 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2h42 h ILE 720 CO 0.00 0.25 0.06 -0.07 0.00 0.00 0.00 178.15 178.39 2h42 h LEU 721 N 0.28 0.19 -2.12 1.44 3.38 -0.89 -0.43 115.31 117.17 2h42 h LEU 721 Ca 0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.05 2h42 h LEU 721 Cb 0.32 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2h42 h LEU 721 CO 0.00 0.18 0.02 0.00 0.09 0.00 0.00 178.44 178.73 2h42 h ALA 722 N 1.85 1.90 0.00 1.53 0.00 -0.54 -1.46 119.26 122.53 2h42 h ALA 722 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2h42 h ALA 722 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2h42 h ALA 722 CO -0.01 -0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.47 2h42 n THR 723 N -4.36 0.00 -2.62 0.00 -2.24 -0.17 -4.40 114.28 100.50 2h42 n THR 723 Ca -0.03 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 2h42 n THR 723 Cb 0.11 -0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 67.64 2h42 n THR 723 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2h42 s ASP 724 N -1.94 6.57 0.48 3.42 2.15 -0.55 -4.88 116.67 121.92 2h42 s ASP 724 Ca 0.22 0.32 0.25 0.00 0.43 0.00 0.00 52.55 53.78 2h42 s ASP 724 Cb 0.10 -2.54 1.31 0.00 -0.30 0.00 0.00 42.92 41.49 2h42 s ASP 724 CO 0.17 -1.30 1.87 0.25 -0.17 0.00 0.00 175.17 175.99 2h42 h LEU 725 N 11.35 0.18 -0.94 -1.34 5.85 -1.89 0.18 115.31 128.71 2h42 h LEU 725 Ca -0.24 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 2h42 h LEU 725 Cb 1.06 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2h42 h LEU 725 CO 1.13 0.07 0.30 0.00 -0.34 0.00 0.00 178.44 179.60 2h42 h ALA 726 N 1.58 1.16 -0.22 1.25 0.00 -1.93 0.38 119.26 121.49 2h42 h ALA 726 Ca 0.45 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2h42 h ALA 726 Cb 1.48 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2h42 h ALA 726 CO -0.09 0.61 -0.38 -0.07 0.00 0.00 0.00 179.25 179.32 2h42 h LEU 727 N 1.04 0.51 0.07 0.00 3.38 -0.98 -0.68 115.31 118.65 2h42 h LEU 727 Ca 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2h42 h LEU 727 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2h42 h LEU 727 CO -0.02 0.85 -0.04 0.22 0.09 0.00 0.00 178.44 179.54 2h42 h TYR 728 N 0.41 -0.09 -0.88 1.13 3.20 -0.73 -1.47 116.97 118.54 2h42 h TYR 728 Ca 0.04 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2h42 h TYR 728 Cb 0.85 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 2h42 h TYR 728 CO 0.03 0.11 0.55 0.82 -1.64 0.00 0.00 178.16 178.03 2h42 h ILE 729 N -0.28 1.23 -0.52 1.81 2.04 -0.84 -0.31 117.51 120.64 2h42 h ILE 729 Ca -0.01 -0.47 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 2h42 h ILE 729 Cb 0.24 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 2h42 h ILE 729 CO 0.02 0.24 -0.04 0.50 0.00 0.00 0.00 178.15 178.87 2h42 h LYS 730 N 1.20 0.91 0.00 2.37 3.64 -0.92 -3.32 116.57 120.44 2h42 h LYS 730 Ca 0.32 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2h42 h LYS 730 Cb -0.09 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 2h42 h LYS 730 CO -0.06 0.93 -1.18 0.54 -2.27 0.00 0.00 179.45 177.40 2h42 n ARG 731 N -4.18 0.50 -0.09 1.90 1.74 -0.57 -4.54 116.66 111.41 2h42 n ARG 731 Ca 0.02 -0.05 0.05 0.00 -0.77 0.00 0.00 57.85 57.11 2h42 n ARG 731 Cb 0.34 -1.45 0.38 0.00 -1.02 0.00 0.00 32.46 30.72 2h42 n ARG 731 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2h42 h ARG 732 N 0.00 0.66 -0.73 5.56 0.11 -1.16 -2.50 114.38 116.32 2h42 h ARG 732 Ca 0.00 -0.04 0.14 0.00 0.10 0.00 0.00 59.98 60.18 2h42 h ARG 732 Cb 0.58 -0.15 -0.10 0.00 1.11 0.00 0.00 29.97 31.42 2h42 h ARG 732 CO 0.00 0.43 0.26 0.78 0.10 0.00 0.00 179.97 181.54 2h42 h GLY 733 N 0.68 1.07 0.99 0.08 0.00 -1.80 0.16 103.07 104.25 2h42 h GLY 733 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2h42 h GLY 733 CO -0.06 -0.11 0.16 -2.09 0.00 0.00 0.00 176.54 174.44 2h42 h GLU 734 N 0.39 0.34 0.17 4.80 4.81 -1.76 0.43 114.58 123.75 2h42 h GLU 734 Ca 0.40 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2h42 h GLU 734 Cb 0.61 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2h42 h GLU 734 CO -0.42 0.24 -0.08 0.35 -0.73 0.00 0.00 179.01 178.37 2h42 h PHE 735 N 0.33 -0.21 -0.89 0.92 3.57 -1.25 -1.26 116.94 118.14 2h42 h PHE 735 Ca 0.09 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 2h42 h PHE 735 Cb -0.01 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2h42 h PHE 735 CO -0.05 -0.11 0.58 0.74 -2.23 0.00 0.00 178.31 177.24 2h42 h PHE 736 N -0.26 1.10 -0.69 0.41 0.05 -0.58 -2.47 116.94 114.50 2h42 h PHE 736 Ca -0.02 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.73 2h42 h PHE 736 Cb 0.20 -0.37 -0.03 0.00 2.00 0.00 0.00 35.95 37.75 2h42 h PHE 736 CO -0.06 0.66 0.20 0.93 -0.18 0.00 0.00 178.31 179.86 2h42 h GLU 737 N 1.16 1.09 -0.81 1.51 4.39 -0.71 -0.35 114.58 120.86 2h42 h GLU 737 Ca 0.34 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.84 2h42 h GLU 737 Cb -0.06 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.38 2h42 h GLU 737 CO -0.10 0.95 0.51 -0.07 -1.16 0.00 0.00 179.01 179.15 2h42 h LEU 738 N 1.03 0.83 -0.46 1.33 3.38 -0.79 -1.48 115.31 119.15 2h42 h LEU 738 Ca 0.22 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 2h42 h LEU 738 Cb 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2h42 h LEU 738 CO -0.00 0.56 -0.34 0.40 0.09 0.00 0.00 178.44 179.15 2h42 h ILE 739 N 0.98 1.27 -0.76 1.22 2.04 -1.07 0.25 117.51 121.45 2h42 h ILE 739 Ca 0.33 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 2h42 h ILE 739 Cb 0.06 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2h42 h ILE 739 CO -0.13 0.51 0.33 -0.09 0.00 0.00 0.00 178.15 178.76 2h42 h ARG 740 N 0.76 1.12 -0.40 2.37 2.43 -0.54 -1.99 114.38 118.13 2h42 h ARG 740 Ca 0.07 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2h42 h ARG 740 Cb 0.92 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2h42 h ARG 740 CO 0.09 0.90 0.00 1.63 -1.51 0.00 0.00 179.97 181.08 2h42 n LYS 741 N -4.34 1.93 -3.96 0.20 5.02 -0.61 -4.91 118.16 111.49 2h42 n LYS 741 Ca 0.07 -1.36 -0.27 0.00 -2.02 0.00 0.00 58.31 54.72 2h42 n LYS 741 Cb 0.17 -1.33 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 2h42 n LYS 741 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2h42 n ASN 742 N 0.58 -1.50 -0.24 4.39 2.85 -0.75 -4.88 115.26 115.72 2h42 n ASN 742 Ca 0.13 -0.96 0.02 0.00 -0.11 0.00 0.00 54.58 53.66 2h42 n ASN 742 Cb 0.34 -3.24 0.05 0.00 1.24 0.00 0.00 39.78 38.17 2h42 n ASN 742 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2h42 n GLN 743 N -4.41 1.82 -2.14 1.20 6.02 0.84 -5.02 117.38 115.68 2h42 n GLN 743 Ca -0.20 -1.40 -0.42 0.00 -0.01 0.00 0.00 57.00 54.97 2h42 n GLN 743 Cb 0.63 -1.10 -0.03 0.00 1.02 0.00 0.00 30.24 30.76 2h42 n GLN 743 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2h42 s PHE 744 N -0.79 2.63 -0.19 1.08 5.36 -1.12 -4.96 117.98 119.99 2h42 s PHE 744 Ca 0.08 0.63 -0.04 0.00 -0.96 0.00 0.00 56.93 56.64 2h42 s PHE 744 Cb 0.05 -3.75 0.07 0.00 -0.34 0.00 0.00 43.02 39.04 2h42 s PHE 744 CO 0.06 -2.91 0.08 1.21 -1.46 0.00 0.00 175.22 172.21 2h42 s ASN 745 N 2.22 2.68 0.58 6.13 3.04 -1.26 -5.02 114.94 123.31 2h42 s ASN 745 Ca 0.67 -0.77 0.38 0.00 0.04 0.00 0.00 52.86 53.18 2h42 s ASN 745 Cb -0.33 -0.37 1.92 0.00 -1.54 0.00 0.00 41.25 40.93 2h42 s ASN 745 CO 0.27 -0.35 2.16 -0.07 -3.04 0.00 0.00 177.10 176.07 2h42 h LEU 746 N 8.36 0.00 -1.27 3.21 3.38 -1.94 -2.24 115.31 124.80 2h42 h LEU 746 Ca -0.16 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2h42 h LEU 746 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2h42 h LEU 746 CO 0.32 0.00 -0.25 -0.33 0.09 0.00 0.00 178.44 178.28 2h42 h GLU 747 N 0.00 0.00 -6.49 1.13 5.08 -1.98 -3.38 114.58 108.94 2h42 h GLU 747 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2h42 h GLU 747 Cb 0.18 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2h42 h GLU 747 CO 0.00 0.25 1.06 0.34 -1.00 0.00 0.00 179.01 179.66 2h42 s ASP 748 N -6.28 6.37 0.41 1.42 -1.08 -0.84 -4.89 116.67 111.78 2h42 s ASP 748 Ca -0.01 0.92 0.21 0.00 -0.52 0.00 0.00 52.55 53.15 2h42 s ASP 748 Cb 0.11 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 40.21 2h42 s ASP 748 CO 0.64 -1.38 1.75 1.55 0.52 0.00 0.00 175.17 178.25 2h42 h PRO 749 N 10.55 0.32 -0.44 4.34 0.13 -1.87 0.70 132.00 145.72 2h42 h PRO 749 Ca -0.28 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.77 2h42 h PRO 749 Cb 1.11 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2h42 h PRO 749 CO 1.07 0.21 0.03 1.25 -0.23 0.00 0.00 178.00 180.33 2h42 h HIS 750 N 0.33 0.82 -0.07 1.56 -0.00 -1.93 -2.11 115.15 113.74 2h42 h HIS 750 Ca 0.63 -0.13 -0.12 0.00 -0.00 0.00 0.00 60.37 60.74 2h42 h HIS 750 Cb 1.70 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 28.88 2h42 h HIS 750 CO -0.00 0.80 -0.52 1.96 -0.00 0.00 0.00 177.93 180.16 2h42 h GLN 751 N 0.60 0.19 -0.17 5.26 4.20 -1.21 -2.06 115.11 121.93 2h42 h GLN 751 Ca 0.13 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2h42 h GLN 751 Cb 0.45 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2h42 h GLN 751 CO 0.02 0.67 0.06 -0.22 -0.67 0.00 0.00 178.83 178.68 2h42 h LYS 752 N 0.15 0.26 -0.54 1.46 3.64 -0.92 0.04 116.57 120.66 2h42 h LYS 752 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2h42 h LYS 752 Cb 0.97 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 2h42 h LYS 752 CO 0.08 0.37 0.19 1.49 -2.27 0.00 0.00 179.45 179.30 2h42 h GLU 753 N 0.10 0.80 -0.42 1.90 4.81 -1.30 0.22 114.58 120.67 2h42 h GLU 753 Ca 0.05 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2h42 h GLU 753 Cb 0.21 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2h42 h GLU 753 CO -0.00 0.67 0.18 1.25 -0.73 0.00 0.00 179.01 180.38 2h42 h LEU 754 N 0.78 0.58 -0.58 1.64 5.85 -1.05 -2.01 115.31 120.52 2h42 h LEU 754 Ca 0.18 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2h42 h LEU 754 Cb 0.19 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2h42 h LEU 754 CO -0.01 0.58 0.14 0.15 -0.34 0.00 0.00 178.44 178.96 2h42 h PHE 755 N 0.54 0.98 -0.62 1.25 3.57 -0.31 -1.38 116.94 120.96 2h42 h PHE 755 Ca 0.14 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2h42 h PHE 755 Cb 0.18 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2h42 h PHE 755 CO -0.00 0.83 0.33 -0.07 -2.23 0.00 0.00 178.31 177.17 2h42 h LEU 756 N 0.84 0.77 -0.28 0.59 3.38 -0.79 0.19 115.31 120.01 2h42 h LEU 756 Ca 0.18 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2h42 h LEU 756 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2h42 h LEU 756 CO 0.00 0.63 0.03 0.00 0.09 0.00 0.00 178.44 179.19 2h42 h ALA 757 N 1.49 0.37 -0.26 1.53 0.00 -0.97 -1.53 119.26 119.89 2h42 h ALA 757 Ca 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2h42 h ALA 757 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2h42 h ALA 757 CO -0.03 0.08 -0.04 0.52 0.00 0.00 0.00 179.25 179.78 2h42 h MET 758 N 0.27 0.40 -0.20 0.00 2.86 -0.57 -2.34 114.93 115.36 2h42 h MET 758 Ca 0.08 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 2h42 h MET 758 Cb 0.38 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2h42 h MET 758 CO 0.01 0.46 -0.43 1.25 1.06 0.00 0.00 176.91 179.27 2h42 h LEU 759 N 0.39 0.51 -0.54 1.22 5.85 -0.35 -1.29 115.31 121.10 2h42 h LEU 759 Ca 0.08 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 2h42 h LEU 759 Cb 0.32 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2h42 h LEU 759 CO 0.01 0.87 0.12 0.24 -0.34 0.00 0.00 178.44 179.34 2h42 h MET 760 N 0.39 0.87 -0.27 1.25 2.86 -0.77 -1.54 114.93 117.73 2h42 h MET 760 Ca 0.03 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 2h42 h MET 760 Cb 0.91 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 2h42 h MET 760 CO 0.08 0.83 0.07 1.15 1.06 0.00 0.00 176.91 180.11 2h42 h THR 761 N 0.77 1.21 -0.67 2.22 2.02 -1.29 0.14 112.91 117.31 2h42 h THR 761 Ca 0.17 -0.67 0.10 0.00 0.77 0.00 0.00 66.41 66.78 2h42 h THR 761 Cb 0.36 1.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.83 2h42 h THR 761 CO 0.00 0.22 0.28 0.00 0.37 0.00 0.00 175.52 176.40 2h42 h ALA 762 N 0.90 0.90 -0.18 6.16 0.00 -1.05 0.12 119.26 126.11 2h42 h ALA 762 Ca 0.09 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 2h42 h ALA 762 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2h42 h ALA 762 CO -0.00 -0.14 -0.67 0.00 0.00 0.00 0.00 179.25 178.44 2h42 h ASP 764 N 0.50 0.52 -0.16 0.00 3.58 0.11 -2.88 116.42 118.09 2h42 h ASP 764 Ca -0.02 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2h42 h ASP 764 Cb 1.27 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2h42 h ASP 764 CO 0.13 0.51 0.00 0.18 -2.88 0.00 0.00 179.24 177.19 2h42 n LEU 765 N -4.34 3.12 0.00 2.28 4.77 -0.05 -4.66 117.00 118.12 2h42 n LEU 765 Ca 0.02 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 2h42 n LEU 765 Cb 0.18 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2h42 n LEU 765 CO 0.38 0.58 0.41 -1.54 -1.33 0.00 0.00 177.39 175.89 2h42 n SER 766 N 1.36 0.00 0.15 -1.43 3.41 -0.90 -1.29 113.62 114.91 2h42 n SER 766 Ca 0.15 0.26 0.02 0.00 -0.26 0.00 0.00 58.87 59.05 2h42 n SER 766 Cb 0.59 -0.26 0.39 0.00 -0.26 0.00 0.00 64.21 64.66 2h42 n SER 766 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h42 h ALA 767 N 1.46 1.48 0.00 7.33 0.00 -1.84 -1.42 119.26 126.27 2h42 h ALA 767 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2h42 h ALA 767 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2h42 h ALA 767 CO 0.00 0.38 0.00 1.51 0.00 0.00 0.00 179.25 181.14 2h42 n ILE 768 N -4.22 1.35 0.80 0.00 0.13 -0.42 -1.94 119.36 115.05 2h42 n ILE 768 Ca -0.01 0.48 0.09 0.00 -1.10 0.00 0.00 62.75 62.20 2h42 n ILE 768 Cb 0.31 -1.42 -0.02 0.00 -0.84 0.00 0.00 39.64 37.67 2h42 n ILE 768 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2h42 n THR 769 N -1.83 0.00 -1.20 9.51 -2.24 -0.54 -4.28 114.28 113.70 2h42 n THR 769 Ca 0.01 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 2h42 n THR 769 Cb 0.08 1.16 0.11 0.00 -2.10 0.00 0.00 70.33 69.58 2h42 n THR 769 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2h42 s LYS 770 N -2.19 1.96 0.42 -0.78 -0.14 -0.82 -4.19 119.74 114.00 2h42 s LYS 770 Ca 0.13 1.42 -0.25 0.00 -1.36 0.00 0.00 55.97 55.91 2h42 s LYS 770 Cb 0.14 -1.84 -0.10 0.00 -1.68 0.00 0.00 37.83 34.35 2h42 s LYS 770 CO 0.51 -1.91 1.19 -2.30 -0.76 0.00 0.00 175.35 172.08 2h42 n PRO 771 N -3.41 1.73 -0.27 -1.68 -0.02 -1.26 -4.28 135.00 125.80 2h42 n PRO 771 Ca 0.11 0.62 -0.05 0.00 -2.02 0.00 0.00 63.50 62.15 2h42 n PRO 771 Cb 0.52 -2.27 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 2h42 n PRO 771 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2h42 n TRP 772 N -0.31 -0.20 0.16 6.00 -0.00 -1.26 -0.02 117.44 121.81 2h42 n TRP 772 Ca 0.08 0.82 0.08 0.00 -0.00 0.00 0.00 57.50 58.48 2h42 n TRP 772 Cb 0.39 -0.61 0.59 0.00 -0.00 0.00 0.00 31.31 31.69 2h42 n TRP 772 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2h42 h PRO 773 N 0.00 0.14 0.05 5.87 0.13 -2.00 -0.49 132.00 135.69 2h42 h PRO 773 Ca 0.14 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 65.07 2h42 h PRO 773 Cb 0.30 -0.03 0.02 0.00 0.13 0.00 0.00 31.00 31.42 2h42 h PRO 773 CO -0.63 0.09 -0.77 0.82 -0.23 0.00 0.00 178.00 177.28 2h42 h ILE 774 N 0.14 1.41 -0.90 -3.56 2.04 -0.76 -3.09 117.51 112.80 2h42 h ILE 774 Ca 0.07 -2.24 0.03 0.00 1.00 0.00 0.00 64.86 63.72 2h42 h ILE 774 Cb 0.10 2.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 2h42 h ILE 774 CO -0.01 0.66 0.59 -0.61 0.00 0.00 0.00 178.15 178.78 2h42 h GLN 775 N -0.07 1.11 -0.18 2.37 5.75 -0.47 -1.48 115.11 122.13 2h42 h GLN 775 Ca -0.11 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 2h42 h GLN 775 Cb 1.50 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 2h42 h GLN 775 CO 0.15 0.74 0.11 1.96 -2.65 0.00 0.00 178.83 179.13 2h42 h GLN 776 N 1.15 0.25 -0.75 1.69 4.20 -1.15 0.21 115.11 120.71 2h42 h GLN 776 Ca 0.35 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 59.00 2h42 h GLN 776 Cb -0.02 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 2h42 h GLN 776 CO -0.10 0.22 0.33 0.00 -0.67 0.00 0.00 178.83 178.61 2h42 h ARG 777 N 0.21 1.10 -0.16 1.46 3.08 -1.37 -1.91 114.38 116.79 2h42 h ARG 777 Ca 0.07 -0.17 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 2h42 h ARG 777 Cb 0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 2h42 h ARG 777 CO -0.01 0.87 -0.53 0.82 -1.07 0.00 0.00 179.97 180.05 2h42 h ILE 778 N 1.08 1.33 0.00 2.04 2.04 -0.96 -2.83 117.51 120.22 2h42 h ILE 778 Ca 0.26 -1.79 -0.09 0.00 1.00 0.00 0.00 64.86 64.24 2h42 h ILE 778 Cb 0.16 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2h42 h ILE 778 CO -0.03 0.55 -0.42 0.00 0.00 0.00 0.00 178.15 178.25 2h42 h ALA 779 N 1.08 1.26 -0.26 1.87 0.00 -0.21 -2.45 119.26 120.55 2h42 h ALA 779 Ca 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2h42 h ALA 779 Cb 1.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2h42 h ALA 779 CO 0.09 0.53 0.06 0.93 0.00 0.00 0.00 179.25 180.86 2h42 h GLU 780 N 0.00 0.42 -0.43 0.00 5.08 -1.12 -0.66 114.58 117.87 2h42 h GLU 780 Ca -0.00 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2h42 h GLU 780 Cb 0.77 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2h42 h GLU 780 CO 0.06 0.52 0.20 -0.07 -1.00 0.00 0.00 179.01 178.71 2h42 h LEU 781 N 0.24 0.27 -0.07 1.33 3.38 -1.29 0.12 115.31 119.29 2h42 h LEU 781 Ca 0.08 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2h42 h LEU 781 Cb 0.30 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2h42 h LEU 781 CO 0.00 0.19 -0.05 0.58 0.09 0.00 0.00 178.44 179.26 2h42 h VAL 782 N 0.40 0.86 -0.91 1.22 2.07 -1.27 -1.62 116.25 117.00 2h42 h VAL 782 Ca 0.19 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.75 2h42 h VAL 782 Cb 0.12 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 2h42 h VAL 782 CO -0.15 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.02 2h42 h ALA 783 N 1.01 1.21 -0.01 1.67 0.00 -0.58 -1.95 119.26 120.61 2h42 h ALA 783 Ca 0.04 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2h42 h ALA 783 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2h42 h ALA 783 CO -0.10 0.42 -0.02 1.15 0.00 0.00 0.00 179.25 180.70 2h42 h THR 784 N 1.12 0.94 -0.55 0.00 2.02 -0.23 0.48 112.91 116.69 2h42 h THR 784 Ca 0.37 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.60 2h42 h THR 784 Cb 0.04 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 2h42 h THR 784 CO -0.13 0.00 0.27 -0.08 0.37 0.00 0.00 175.52 175.95 2h42 h GLU 785 N -0.03 0.51 -0.19 6.66 4.81 -0.96 0.40 114.58 125.78 2h42 h GLU 785 Ca 0.01 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2h42 h GLU 785 Cb 0.05 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2h42 h GLU 785 CO -0.03 0.34 -0.01 0.74 -0.73 0.00 0.00 179.01 179.31 2h42 h PHE 786 N 0.52 -0.04 -0.71 0.92 0.05 -0.94 -1.91 116.94 114.84 2h42 h PHE 786 Ca 0.25 0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.98 2h42 h PHE 786 Cb 0.18 0.05 -0.03 0.00 2.00 0.00 0.00 35.95 38.14 2h42 h PHE 786 CO -0.11 -0.04 0.17 0.74 -0.18 0.00 0.00 178.31 178.89 2h42 h PHE 787 N 0.04 1.20 -0.25 -0.55 0.04 0.05 -1.44 116.94 116.04 2h42 h PHE 787 Ca 0.09 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 2h42 h PHE 787 Cb 0.12 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 2h42 h PHE 787 CO -0.18 0.97 0.15 -0.44 -0.60 0.00 0.00 178.31 178.20 2h42 h ASP 788 N 1.08 0.29 -0.04 2.17 3.32 0.11 0.15 116.42 123.49 2h42 h ASP 788 Ca 0.22 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 2h42 h ASP 788 Cb 0.38 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2h42 h ASP 788 CO 0.00 0.22 -0.29 -0.61 -1.72 0.00 0.00 179.24 176.84 2h42 h GLN 789 N 0.34 0.28 -0.74 3.56 4.15 -0.74 -2.31 115.11 119.64 2h42 h GLN 789 Ca 0.09 -0.24 0.08 0.00 0.77 0.00 0.00 58.65 59.35 2h42 h GLN 789 Cb -0.01 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.67 2h42 h GLN 789 CO -0.02 0.90 0.41 0.78 -1.93 0.00 0.00 178.83 178.97 2h42 h GLY 790 N -0.27 1.11 0.95 2.39 0.00 -0.60 -0.07 103.07 106.58 2h42 h GLY 790 Ca -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2h42 h GLY 790 CO 0.06 0.13 -0.31 -0.55 0.00 0.00 0.00 176.54 175.87 2h42 h ASP 791 N 0.72 -0.76 -0.25 0.19 3.32 -0.72 -1.85 116.42 117.07 2h42 h ASP 791 Ca 0.35 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.37 2h42 h ASP 791 Cb 0.28 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2h42 h ASP 791 CO -0.22 -0.51 -0.03 0.08 -1.72 0.00 0.00 179.24 176.84 2h42 h ARG 792 N -0.83 0.58 0.00 3.56 0.11 -1.13 -1.63 114.38 115.04 2h42 h ARG 792 Ca -0.08 -0.14 -0.03 0.00 0.10 0.00 0.00 59.98 59.83 2h42 h ARG 792 Cb 0.66 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.65 2h42 h ARG 792 CO 0.11 0.63 -0.17 0.93 0.10 0.00 0.00 179.97 181.57 2h42 h GLU 793 N 0.55 0.00 0.06 0.08 5.08 -0.95 0.28 114.58 119.69 2h42 h GLU 793 Ca 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2h42 h GLU 793 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2h42 h GLU 793 CO 0.02 0.17 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.07 2h42 h ARG 794 N 0.00 -0.08 0.77 2.33 2.43 -0.55 -1.51 114.38 117.76 2h42 h ARG 794 Ca -0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2h42 h ARG 794 Cb 0.61 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.19 2h42 h ARG 794 CO 0.02 0.51 -0.38 0.87 -1.51 0.00 0.00 179.97 179.48 2h42 h LYS 795 N -0.85 -1.01 0.05 0.20 1.57 -1.10 0.11 116.57 115.55 2h42 h LYS 795 Ca -0.01 0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.60 2h42 h LYS 795 Cb 0.63 0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2h42 h LYS 795 CO 0.01 -0.67 -1.06 0.93 -0.57 0.00 0.00 179.45 178.10 2h42 h GLU 796 N -1.05 0.33 -0.01 3.15 5.08 -0.61 -3.37 114.58 118.11 2h42 h GLU 796 Ca -0.10 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2h42 h GLU 796 Cb 0.81 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2h42 h GLU 796 CO 0.17 1.13 -0.12 1.28 -1.00 0.00 0.00 179.01 180.47 2h42 n LEU 797 N -3.65 1.48 -3.72 1.33 4.77 -0.64 -5.00 117.00 111.57 2h42 n LEU 797 Ca -0.07 -0.87 -0.25 0.00 -0.03 0.00 0.00 56.01 54.79 2h42 n LEU 797 Cb 0.91 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.05 2h42 n LEU 797 CO 0.52 0.29 0.14 -3.20 -1.33 0.00 0.00 177.39 173.81 2h42 n ASN 798 N 0.10 -4.76 -4.45 -1.43 4.05 0.03 -4.95 115.26 103.86 2h42 n ASN 798 Ca 0.05 -0.67 -0.33 0.00 0.45 0.00 0.00 54.58 54.08 2h42 n ASN 798 Cb 0.23 -4.48 -0.13 0.00 1.23 0.00 0.00 39.78 36.62 2h42 n ASN 798 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2h42 s ILE 799 N -3.36 3.18 0.02 -1.44 -4.36 -0.97 -4.98 121.20 109.29 2h42 s ILE 799 Ca 0.49 -0.65 -0.30 0.00 -0.26 0.00 0.00 60.65 59.93 2h42 s ILE 799 Cb -0.23 -2.30 -0.06 0.00 1.25 0.00 0.00 42.46 41.12 2h42 s ILE 799 CO 0.78 0.56 1.36 -0.70 0.24 0.00 0.00 174.94 177.18 2h42 s GLU 800 N -0.24 4.31 0.37 0.37 2.56 -1.26 -3.89 118.70 120.91 2h42 s GLU 800 Ca 0.02 1.94 -0.26 0.00 0.00 0.00 0.00 54.97 56.67 2h42 s GLU 800 Cb -0.13 -3.51 -0.09 0.00 2.00 0.00 0.00 34.13 32.40 2h42 s GLU 800 CO 0.03 -0.52 1.09 -1.25 -0.56 0.00 0.00 175.26 174.05 2h42 s PRO 801 N 2.10 4.23 0.76 4.30 0.04 -1.26 -5.04 135.00 140.13 2h42 s PRO 801 Ca 0.63 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.23 2h42 s PRO 801 Cb -0.31 -2.72 0.05 0.00 0.04 0.00 0.00 34.50 31.55 2h42 s PRO 801 CO 0.27 -0.12 1.08 0.95 0.04 0.00 0.00 177.00 179.22 2h42 s THR 802 N -1.48 3.48 0.24 1.26 -4.23 -1.26 -4.71 115.64 108.93 2h42 s THR 802 Ca 0.55 0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 61.48 2h42 s THR 802 Cb -0.27 -3.10 0.22 0.00 1.34 0.00 0.00 72.50 70.70 2h42 s THR 802 CO 0.34 -0.63 1.69 0.44 -0.54 0.00 0.00 174.62 175.92 2h42 h ASP 803 N -1.02 0.04 -0.93 3.99 3.32 -1.96 -0.27 116.42 119.59 2h42 h ASP 803 Ca -0.45 0.14 0.26 0.00 0.02 0.00 0.00 57.03 57.00 2h42 h ASP 803 Cb 1.23 0.18 -0.14 0.00 0.22 0.00 0.00 39.33 40.82 2h42 h ASP 803 CO 0.55 -0.01 0.37 0.25 -1.72 0.00 0.00 179.24 178.68 2h42 h LEU 804 N 0.29 0.23 -3.25 1.55 5.85 -1.94 -0.22 115.31 117.81 2h42 h LEU 804 Ca 0.40 0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.31 2h42 h LEU 804 Cb 0.66 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2h42 h LEU 804 CO -0.48 -0.13 0.00 0.23 -0.34 0.00 0.00 178.44 177.72 2h42 n MET 805 N -5.14 3.13 -3.45 1.25 2.81 -0.23 -4.63 117.12 110.86 2h42 n MET 805 Ca 0.25 -2.81 -0.43 0.00 -1.81 0.00 0.00 57.70 52.90 2h42 n MET 805 Cb 0.79 -1.84 -0.08 0.00 -0.71 0.00 0.00 33.22 31.38 2h42 n MET 805 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2h42 s ASN 806 N -1.72 5.99 0.60 7.83 3.84 -0.10 -3.90 114.94 127.48 2h42 s ASN 806 Ca 0.42 -1.40 0.29 0.00 0.21 0.00 0.00 52.86 52.37 2h42 s ASN 806 Cb 0.33 -2.12 1.55 0.00 -0.55 0.00 0.00 41.25 40.46 2h42 s ASN 806 CO 0.10 -0.62 1.96 -0.09 -2.79 0.00 0.00 177.10 175.67 2h42 h ARG 807 N 8.65 0.00 0.00 0.43 2.43 -1.87 0.23 114.38 124.25 2h42 h ARG 807 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2h42 h ARG 807 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2h42 h ARG 807 CO 0.85 0.00 0.00 0.93 -1.51 0.00 0.00 179.97 180.24 2h42 h GLU 808 N 0.00 0.00 -0.87 0.20 4.39 -1.92 -2.73 114.58 113.64 2h42 h GLU 808 Ca 0.15 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.58 2h42 h GLU 808 Cb 0.90 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.39 2h42 h GLU 808 CO -0.00 0.00 0.34 1.63 -1.16 0.00 0.00 179.01 179.82 2h42 n LYS 809 N -3.09 2.83 0.25 2.33 4.76 0.82 -4.50 118.16 121.56 2h42 n LYS 809 Ca 0.01 -2.51 0.13 0.00 -2.87 0.00 0.00 58.31 53.07 2h42 n LYS 809 Cb 0.33 -2.03 0.78 0.00 -1.84 0.00 0.00 35.03 32.27 2h42 n LYS 809 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2h42 h LYS 810 N 1.73 0.00 0.00 1.97 3.64 -1.59 -1.83 116.57 120.48 2h42 h LYS 810 Ca 0.33 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 2h42 h LYS 810 Cb 2.24 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 34.05 2h42 h LYS 810 CO 0.72 0.00 -0.14 -2.95 -2.27 0.00 0.00 179.45 174.81 2h42 h ASN 811 N 0.00 0.00 -0.17 4.20 -1.07 -1.87 -2.80 115.58 113.86 2h42 h ASN 811 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.40 2h42 h ASN 811 Cb 0.15 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.40 2h42 h ASN 811 CO -0.00 0.14 0.00 0.29 0.07 0.00 0.00 177.43 177.93 2h42 n LYS 812 N -3.62 1.54 -0.12 4.14 5.02 -0.69 -4.30 118.16 120.13 2h42 n LYS 812 Ca -0.02 -0.83 -0.07 0.00 -2.02 0.00 0.00 58.31 55.38 2h42 n LYS 812 Cb 0.27 -1.30 0.01 0.00 -0.02 0.00 0.00 35.03 34.00 2h42 n LYS 812 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2h42 h ILE 813 N 1.53 1.01 -0.33 -0.18 2.04 -1.65 -2.47 117.51 117.46 2h42 h ILE 813 Ca 0.00 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.77 2h42 h ILE 813 Cb 0.34 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 2h42 h ILE 813 CO 0.00 0.08 0.00 1.55 0.00 0.00 0.00 178.15 179.78 2h42 h PRO 814 N 0.44 0.10 -0.01 2.37 0.13 -1.85 0.17 132.00 133.35 2h42 h PRO 814 Ca 0.16 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 2h42 h PRO 814 Cb 0.04 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 2h42 h PRO 814 CO -0.09 0.06 -0.26 0.66 -0.23 0.00 0.00 178.00 178.14 2h42 h SER 815 N 0.10 0.01 0.03 1.44 4.64 -1.79 -1.78 113.55 116.21 2h42 h SER 815 Ca 0.16 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.29 2h42 h SER 815 Cb 0.22 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2h42 h SER 815 CO -0.27 0.27 -0.69 0.24 -0.87 0.00 0.00 176.83 175.52 2h42 h MET 816 N 0.01 0.60 -0.62 4.77 2.86 -0.83 -2.31 114.93 119.42 2h42 h MET 816 Ca -0.00 -0.45 -0.07 0.00 -2.06 0.00 0.00 59.70 57.12 2h42 h MET 816 Cb 0.47 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 2h42 h MET 816 CO 0.03 1.07 0.12 1.96 1.06 0.00 0.00 176.91 181.16 2h42 h GLN 817 N 0.43 1.00 -0.36 1.72 1.08 -0.21 -0.66 115.11 118.10 2h42 h GLN 817 Ca -0.02 -0.24 -0.03 0.00 -1.45 0.00 0.00 58.65 56.91 2h42 h GLN 817 Cb 1.27 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.55 2h42 h GLN 817 CO 0.13 0.90 0.11 0.28 -0.95 0.00 0.00 178.83 179.30 2h42 h VAL 818 N 0.94 1.21 -0.40 -0.54 2.07 -1.25 0.53 116.25 118.82 2h42 h VAL 818 Ca 0.20 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 2h42 h VAL 818 Cb 0.38 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2h42 h VAL 818 CO 0.01 0.24 -0.09 1.23 0.02 0.00 0.00 177.57 178.98 2h42 h GLY 819 N 0.44 0.75 0.90 2.17 0.00 -1.20 -0.62 103.07 105.52 2h42 h GLY 819 Ca 0.12 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 2h42 h GLY 819 CO -0.00 0.50 0.08 -2.75 0.00 0.00 0.00 176.54 174.36 2h42 h PHE 820 N 0.64 0.52 -0.19 5.60 3.57 -0.80 -0.46 116.94 125.81 2h42 h PHE 820 Ca 0.11 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2h42 h PHE 820 Cb 0.53 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2h42 h PHE 820 CO 0.02 0.54 0.05 0.82 -2.23 0.00 0.00 178.31 177.51 2h42 h ILE 821 N 0.34 1.21 -0.42 1.41 2.04 -0.65 -0.86 117.51 120.58 2h42 h ILE 821 Ca 0.10 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 2h42 h ILE 821 Cb 0.28 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2h42 h ILE 821 CO 0.00 0.20 0.08 0.44 0.00 0.00 0.00 178.15 178.88 2h42 h ASP 822 N 0.11 0.66 1.00 1.72 3.32 -1.05 0.20 116.42 122.38 2h42 h ASP 822 Ca 0.06 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 2h42 h ASP 822 Cb 0.27 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2h42 h ASP 822 CO 0.00 0.73 -1.04 0.00 -1.72 0.00 0.00 179.24 177.22 2h42 h ALA 823 N 0.95 0.61 0.00 3.45 0.00 -1.12 -3.42 119.26 119.73 2h42 h ALA 823 Ca 0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2h42 h ALA 823 Cb 0.35 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2h42 h ALA 823 CO 0.01 0.40 -1.06 -0.89 0.00 0.00 0.00 179.25 177.71 2h42 n ILE 824 N -2.84 0.06 -0.11 0.00 2.08 -0.35 -4.96 119.36 113.24 2h42 n ILE 824 Ca -0.03 -0.02 -0.23 0.00 0.56 0.00 0.00 62.75 63.02 2h42 n ILE 824 Cb 0.68 -0.56 -0.11 0.00 -0.75 0.00 0.00 39.64 38.89 2h42 n ILE 824 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2h42 h LEU 826 N -0.93 -1.80 -0.71 0.00 3.38 -0.87 -2.23 115.31 112.15 2h42 h LEU 826 Ca -0.43 0.23 0.12 0.00 0.09 0.00 0.00 57.88 57.90 2h42 h LEU 826 Cb 1.42 0.73 -0.09 0.00 0.09 0.00 0.00 40.66 42.81 2h42 h LEU 826 CO -0.24 -0.42 0.28 1.56 0.09 0.00 0.00 178.44 179.71 2h42 h GLN 827 N -0.44 0.43 0.07 1.13 4.20 -1.83 -0.24 115.11 118.43 2h42 h GLN 827 Ca 0.07 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.76 2h42 h GLN 827 Cb 0.62 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2h42 h GLN 827 CO -0.56 0.28 -0.13 1.25 -0.67 0.00 0.00 178.83 179.01 2h42 h LEU 828 N 0.44 -0.35 -1.53 1.46 5.85 -1.63 0.33 115.31 119.89 2h42 h LEU 828 Ca 0.38 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 59.09 2h42 h LEU 828 Cb 0.53 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2h42 h LEU 828 CO -0.37 -0.19 -0.24 1.88 -0.34 0.00 0.00 178.44 179.18 2h42 h TYR 829 N -0.25 0.00 -0.11 1.25 -1.99 -0.94 0.71 116.97 115.63 2h42 h TYR 829 Ca 0.02 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.69 2h42 h TYR 829 Cb 0.27 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.00 2h42 h TYR 829 CO -0.15 0.24 -0.16 0.93 -0.00 0.00 0.00 178.16 179.02 2h42 h GLU 830 N 0.00 0.31 -0.82 4.88 5.08 -0.39 -2.53 114.58 121.11 2h42 h GLU 830 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2h42 h GLU 830 Cb 0.49 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 2h42 h GLU 830 CO 0.03 0.76 0.52 0.00 -1.00 0.00 0.00 179.01 179.31 2h42 h ALA 831 N 0.55 1.04 -0.57 3.43 0.00 0.22 -1.76 119.26 122.18 2h42 h ALA 831 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2h42 h ALA 831 Cb 0.72 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2h42 h ALA 831 CO 0.04 0.48 0.35 1.25 0.00 0.00 0.00 179.25 181.37 2h42 h LEU 832 N 1.12 0.67 -1.58 0.00 5.85 -0.86 -0.33 115.31 120.18 2h42 h LEU 832 Ca 0.30 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 2h42 h LEU 832 Cb -0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2h42 h LEU 832 CO -0.06 0.50 -0.22 0.74 -0.34 0.00 0.00 178.44 179.06 2h42 h THR 833 N 0.78 0.86 -0.17 1.05 2.02 -0.88 -1.39 112.91 115.18 2h42 h THR 833 Ca 0.21 -0.85 -0.18 0.00 0.77 0.00 0.00 66.41 66.36 2h42 h THR 833 Cb -0.05 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2h42 h THR 833 CO -0.04 0.22 -0.62 0.45 0.37 0.00 0.00 175.52 175.90 2h42 h HIS 834 N 0.00 0.78 -0.23 3.16 3.86 -0.73 -2.76 115.15 119.22 2h42 h HIS 834 Ca -0.00 -0.30 -0.14 0.00 -1.16 0.00 0.00 60.37 58.77 2h42 h HIS 834 Cb 0.48 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 2h42 h HIS 834 CO 0.00 1.06 -0.39 0.28 0.86 0.00 0.00 177.93 179.74 2h42 h VAL 835 N 0.45 1.31 -2.35 2.45 2.07 -1.09 -3.42 116.25 115.67 2h42 h VAL 835 Ca -0.01 -1.60 -0.25 0.00 0.82 0.00 0.00 66.70 65.66 2h42 h VAL 835 Cb 1.19 1.77 -0.34 0.00 -1.52 0.00 0.00 31.29 32.39 2h42 h VAL 835 CO 0.12 0.50 -0.57 -0.55 0.02 0.00 0.00 177.57 177.09 2h42 s SER 836 N -6.65 0.92 0.53 0.57 0.15 -0.57 -5.02 113.70 103.63 2h42 s SER 836 Ca -0.12 -0.00 0.30 0.00 0.70 0.00 0.00 55.95 56.82 2h42 s SER 836 Cb 0.08 0.65 1.45 0.00 -1.71 0.00 0.00 66.02 66.49 2h42 s SER 836 CO 0.84 -0.31 1.91 -0.08 1.20 0.00 0.00 173.24 176.80 2h42 h GLU 837 N 8.27 0.02 0.00 5.44 4.81 -1.75 -1.17 114.58 130.20 2h42 h GLU 837 Ca -0.18 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2h42 h GLU 837 Cb 1.15 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2h42 h GLU 837 CO 0.27 0.01 0.00 -0.25 -0.73 0.00 0.00 179.01 178.31 2h42 n ASP 838 N -4.30 0.00 -0.78 1.04 8.00 -1.26 -1.99 116.55 117.26 2h42 n ASP 838 Ca 0.17 -0.27 0.09 0.00 0.71 0.00 0.00 54.79 55.49 2h42 n ASP 838 Cb 0.88 -0.16 0.26 0.00 -0.02 0.00 0.00 41.12 42.07 2h42 n ASP 838 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h42 h PHE 840 N 2.72 0.95 -0.95 0.00 3.57 -1.59 -2.16 116.94 119.47 2h42 h PHE 840 Ca 0.00 0.03 0.22 0.00 3.53 0.00 0.00 57.97 61.75 2h42 h PHE 840 Cb 0.61 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 38.98 2h42 h PHE 840 CO 0.23 0.37 0.62 -1.35 -2.23 0.00 0.00 178.31 175.95 2h42 h PRO 841 N 0.82 0.40 -0.37 6.41 0.11 -1.86 0.21 132.00 137.72 2h42 h PRO 841 Ca 0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.51 2h42 h PRO 841 Cb 0.60 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 2h42 h PRO 841 CO -0.22 0.27 0.10 -0.07 -0.21 0.00 0.00 178.00 177.87 2h42 h LEU 842 N 0.42 0.56 -0.65 2.35 3.38 -1.74 -0.36 115.31 119.26 2h42 h LEU 842 Ca 0.51 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 2h42 h LEU 842 Cb 1.26 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2h42 h LEU 842 CO -0.21 0.63 -0.15 0.25 0.09 0.00 0.00 178.44 179.05 2h42 h LEU 843 N 0.45 0.91 0.14 1.67 5.85 -1.06 -1.97 115.31 121.31 2h42 h LEU 843 Ca 0.12 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 2h42 h LEU 843 Cb 0.28 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2h42 h LEU 843 CO -0.00 1.05 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.28 2h42 h ASP 844 N 0.81 -0.22 -0.74 1.25 -0.00 -0.40 -0.94 116.42 116.17 2h42 h ASP 844 Ca 0.12 0.02 0.01 0.00 -0.00 0.00 0.00 57.03 57.18 2h42 h ASP 844 Cb 0.68 0.07 -0.04 0.00 -0.00 0.00 0.00 39.33 40.04 2h42 h ASP 844 CO 0.05 -0.15 0.49 1.23 -0.00 0.00 0.00 179.24 180.87 2h42 h GLY 845 N -0.22 1.05 0.85 -0.78 0.00 -0.98 -1.26 103.07 101.72 2h42 h GLY 845 Ca -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 2h42 h GLY 845 CO 0.01 0.38 0.04 0.00 0.00 0.00 0.00 176.54 176.97 2h42 h ARG 847 N 0.14 0.62 -0.62 0.00 3.08 -0.75 -1.30 114.38 115.55 2h42 h ARG 847 Ca 0.06 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2h42 h ARG 847 Cb 0.30 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2h42 h ARG 847 CO 0.00 0.41 0.32 0.87 -1.07 0.00 0.00 179.97 180.51 2h42 h LYS 848 N 0.64 0.88 -0.44 0.04 1.57 -1.06 -2.42 116.57 115.77 2h42 h LYS 848 Ca 0.25 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2h42 h LYS 848 Cb 0.11 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2h42 h LYS 848 CO -0.14 0.69 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.47 2h42 h ASN 849 N 0.85 0.72 -0.25 0.86 2.35 -0.76 -1.71 115.58 117.64 2h42 h ASN 849 Ca 0.22 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2h42 h ASN 849 Cb 0.08 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2h42 h ASN 849 CO -0.03 0.82 0.03 -0.09 -1.65 0.00 0.00 177.43 176.51 2h42 h ARG 850 N 0.69 0.53 -0.36 0.81 2.43 -0.98 -0.15 114.38 117.36 2h42 h ARG 850 Ca 0.13 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 2h42 h ARG 850 Cb 0.49 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2h42 h ARG 850 CO 0.03 0.54 0.00 0.37 -1.51 0.00 0.00 179.97 179.39 2h42 h GLN 851 N 0.52 0.64 -0.28 0.20 4.15 -0.94 -0.99 115.11 118.40 2h42 h GLN 851 Ca 0.11 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 2h42 h GLN 851 Cb 0.29 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2h42 h GLN 851 CO 0.01 0.75 -0.02 0.87 -1.93 0.00 0.00 178.83 178.50 2h42 h LYS 852 N 0.45 0.52 0.00 1.69 1.79 -0.83 -2.53 116.57 117.66 2h42 h LYS 852 Ca 0.10 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 58.29 2h42 h LYS 852 Cb 0.46 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 2h42 h LYS 852 CO 0.02 0.69 -0.50 -1.49 -1.08 0.00 0.00 179.45 177.09 2h42 h TRP 853 N 0.29 0.00 -0.44 -1.35 4.06 -1.02 -2.93 115.95 114.56 2h42 h TRP 853 Ca 0.08 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.89 2h42 h TRP 853 Cb 0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 2h42 h TRP 853 CO 0.04 0.50 -0.25 0.37 -3.56 0.00 0.00 178.44 175.54 2h42 h GLN 854 N 0.00 0.95 -0.73 0.49 5.75 -1.09 0.20 115.11 120.69 2h42 h GLN 854 Ca -0.00 -0.43 -0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2h42 h GLN 854 Cb 0.88 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.38 2h42 h GLN 854 CO 0.06 1.10 0.44 0.00 -2.65 0.00 0.00 178.83 177.78 2h42 h ALA 855 N 0.83 0.92 0.00 3.38 0.00 -1.32 -1.54 119.26 121.53 2h42 h ALA 855 Ca 0.09 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2h42 h ALA 855 Cb 0.83 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2h42 h ALA 855 CO 0.07 0.39 -0.58 -0.07 0.00 0.00 0.00 179.25 179.07 2h42 h LEU 856 N 0.99 0.00 -1.18 0.00 3.38 -1.34 -2.96 115.31 114.21 2h42 h LEU 856 Ca 0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 2h42 h LEU 856 Cb -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2h42 h LEU 856 CO -0.05 0.58 -0.11 0.00 0.09 0.00 0.00 178.44 178.95 2h42 h ALA 857 N 1.42 1.32 0.00 1.53 0.00 0.35 0.70 119.26 124.59 2h42 h ALA 857 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2h42 h ALA 857 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2h42 h ALA 857 CO 0.07 0.46 0.00 0.39 0.00 0.00 0.00 179.25 180.17 2h42 n GLU 858 N -4.23 0.42 -2.49 0.00 1.02 -0.71 -4.85 120.64 109.80 2h42 n GLU 858 Ca 0.00 0.06 -0.04 0.00 -0.02 0.00 0.00 57.16 57.16 2h42 n GLU 858 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2h42 n GLU 858 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2h42 n GLN 859 N -1.21 -1.43 0.00 3.49 6.02 0.24 -5.11 117.38 119.38 2h42 n GLN 859 Ca 0.12 1.50 0.00 0.00 -0.01 0.00 0.00 57.00 58.61 2h42 n GLN 859 Cb 0.15 -4.44 0.00 0.00 1.02 0.00 0.00 30.24 26.97 2h42 n GLN 859 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09