#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h44 n GLU 536 N 0.00 0.13 -0.00 5.31 1.02 -1.26 -4.22 120.64 121.62 2h44 n GLU 536 Ca 0.00 -0.10 0.07 0.00 -0.02 0.00 0.00 57.16 57.11 2h44 n GLU 536 Cb 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.83 2h44 n GLU 536 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2h44 n THR 537 N -1.35 0.00 0.32 2.62 5.66 -1.26 -4.16 114.28 116.11 2h44 n THR 537 Ca 0.05 -0.22 0.19 0.00 -3.05 0.00 0.00 64.05 61.03 2h44 n THR 537 Cb 0.34 0.77 1.07 0.00 -1.55 0.00 0.00 70.33 70.96 2h44 n THR 537 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2h44 h ARG 538 N 0.00 0.00 0.05 1.09 2.47 -2.00 0.90 114.38 116.89 2h44 h ARG 538 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2h44 h ARG 538 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2h44 h ARG 538 CO 0.00 0.01 -0.02 1.49 0.56 0.00 0.00 179.97 182.01 2h44 h GLU 539 N 0.00 -0.06 -0.82 0.04 4.81 -1.81 -2.69 114.58 114.05 2h44 h GLU 539 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2h44 h GLU 539 Cb 0.05 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 2h44 h GLU 539 CO 0.00 0.57 0.36 1.25 -0.73 0.00 0.00 179.01 180.46 2h44 h LEU 540 N -0.81 1.11 0.00 1.64 5.85 -1.52 -1.57 115.31 120.00 2h44 h LEU 540 Ca -0.01 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2h44 h LEU 540 Cb 0.66 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2h44 h LEU 540 CO 0.01 0.96 -0.20 -0.61 -0.34 0.00 0.00 178.44 178.26 2h44 h GLN 541 N 1.19 -0.31 -0.31 1.25 4.15 -0.93 0.43 115.11 120.58 2h44 h GLN 541 Ca 0.28 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.68 2h44 h GLN 541 Cb 0.17 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2h44 h GLN 541 CO -0.03 -0.20 0.03 0.77 -1.93 0.00 0.00 178.83 177.46 2h44 h SER 542 N -0.32 0.52 0.04 -0.69 0.02 -1.30 -3.18 113.55 108.63 2h44 h SER 542 Ca 0.06 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2h44 h SER 542 Cb 0.39 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2h44 h SER 542 CO -0.18 0.67 -0.02 0.25 -1.14 0.00 0.00 176.83 176.41 2h44 h LEU 543 N 0.34 -0.04 -1.65 5.07 5.85 -1.09 -2.28 115.31 121.51 2h44 h LEU 543 Ca 0.09 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2h44 h LEU 543 Cb 0.39 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2h44 h LEU 543 CO 0.01 0.10 0.35 0.00 -0.34 0.00 0.00 178.44 178.56 2h44 h ALA 544 N 0.78 1.94 0.00 1.25 0.00 -0.99 -2.45 119.26 119.78 2h44 h ALA 544 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2h44 h ALA 544 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2h44 h ALA 544 CO 0.01 -0.03 -0.76 0.00 0.00 0.00 0.00 179.25 178.47 2h44 n ALA 545 N -2.51 3.21 -1.77 0.00 0.00 -1.18 -4.95 120.51 113.30 2h44 n ALA 545 Ca 0.07 -0.33 -0.36 0.00 0.00 0.00 0.00 53.44 52.82 2h44 n ALA 545 Cb 0.27 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 2h44 n ALA 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h44 s ALA 546 N -3.15 2.91 0.09 0.00 0.00 -0.86 -4.99 121.76 115.76 2h44 s ALA 546 Ca 0.06 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 2h44 s ALA 546 Cb 0.14 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 2h44 s ALA 546 CO 0.75 -0.63 1.08 0.08 0.00 0.00 0.00 175.76 177.03 2h44 s VAL 547 N -1.62 4.25 -0.43 0.00 1.01 -1.26 -5.00 120.40 117.34 2h44 s VAL 547 Ca 0.65 1.75 -0.20 0.00 0.00 0.00 0.00 61.98 64.18 2h44 s VAL 547 Cb -0.26 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.02 2h44 s VAL 547 CO 0.32 0.21 0.63 -0.69 0.00 0.00 0.00 175.10 175.57 2h44 s VAL 548 N 0.46 4.85 0.90 2.92 1.01 -1.26 -5.05 120.40 124.23 2h44 s VAL 548 Ca 0.52 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.52 2h44 s VAL 548 Cb -0.26 -4.19 0.14 0.00 0.00 0.00 0.00 36.38 32.07 2h44 s VAL 548 CO 0.31 -0.57 1.14 -2.84 0.00 0.00 0.00 175.10 173.14 2h44 s PRO 549 N 2.78 1.10 0.81 2.72 0.02 -1.26 -4.99 135.00 136.18 2h44 s PRO 549 Ca 0.22 1.48 -0.11 0.00 0.02 0.00 0.00 61.00 62.62 2h44 s PRO 549 Cb -0.14 -1.74 0.08 0.00 0.02 0.00 0.00 34.50 32.71 2h44 s PRO 549 CO 0.18 -2.55 1.10 -1.54 -0.33 0.00 0.00 177.00 173.86 2h44 s SER 550 N -2.76 4.14 0.21 2.53 1.04 -1.26 -4.83 113.70 112.77 2h44 s SER 550 Ca 0.66 1.84 -0.10 0.00 0.48 0.00 0.00 55.95 58.84 2h44 s SER 550 Cb -0.22 -2.49 0.16 0.00 0.10 0.00 0.00 66.02 63.57 2h44 s SER 550 CO 0.58 -2.27 1.86 0.00 0.98 0.00 0.00 173.24 174.38 2h44 h ALA 551 N -1.29 0.98 -0.39 5.32 0.00 -1.94 -1.25 119.26 120.69 2h44 h ALA 551 Ca -0.44 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.41 2h44 h ALA 551 Cb 1.24 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2h44 h ALA 551 CO 0.50 0.44 0.21 0.37 0.00 0.00 0.00 179.25 180.78 2h44 h GLN 552 N 1.05 0.42 -0.54 0.00 4.15 -1.97 -0.41 115.11 117.81 2h44 h GLN 552 Ca 0.28 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.63 2h44 h GLN 552 Cb -0.05 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 2h44 h GLN 552 CO -0.05 0.28 0.18 1.15 -1.93 0.00 0.00 178.83 178.46 2h44 h THR 553 N 0.43 1.21 0.00 2.39 2.02 -1.80 -2.21 112.91 114.94 2h44 h THR 553 Ca 0.16 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2h44 h THR 553 Cb 0.04 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2h44 h THR 553 CO -0.10 0.27 0.00 0.18 0.37 0.00 0.00 175.52 176.24 2h44 n LEU 554 N -4.31 0.21 -1.16 2.58 4.77 -0.52 -4.92 117.00 113.66 2h44 n LEU 554 Ca 0.04 0.52 -0.15 0.00 -0.03 0.00 0.00 56.01 56.39 2h44 n LEU 554 Cb 0.19 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 2h44 n LEU 554 CO 0.39 -0.07 -0.14 0.29 -1.33 0.00 0.00 177.39 176.53 2h44 n LYS 555 N -1.70 -1.25 0.00 3.23 5.02 -0.22 -4.87 118.16 118.37 2h44 n LYS 555 Ca 0.06 1.02 0.11 0.00 -2.02 0.00 0.00 58.31 57.48 2h44 n LYS 555 Cb 0.35 -5.25 0.57 0.00 -0.02 0.00 0.00 35.03 30.69 2h44 n LYS 555 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2h44 n ILE 556 N -2.46 0.24 1.00 -0.18 -5.35 -1.18 -2.55 119.36 108.88 2h44 n ILE 556 Ca -0.15 0.06 0.12 0.00 -0.27 0.00 0.00 62.75 62.51 2h44 n ILE 556 Cb 0.55 -0.71 0.32 0.00 -1.74 0.00 0.00 39.64 38.06 2h44 n ILE 556 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2h44 n THR 557 N -1.21 0.00 -3.17 7.28 -1.04 -1.26 -4.16 114.28 110.72 2h44 n THR 557 Ca 0.12 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.74 2h44 n THR 557 Cb 0.14 0.11 -0.06 0.00 -1.82 0.00 0.00 70.33 68.70 2h44 n THR 557 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2h44 s ASP 558 N -2.99 7.04 0.44 8.00 1.01 -1.06 -4.63 116.67 124.48 2h44 s ASP 558 Ca 0.12 1.24 0.22 0.00 0.71 0.00 0.00 52.55 54.84 2h44 s ASP 558 Cb 0.18 -2.39 1.01 0.00 1.01 0.00 0.00 42.92 42.73 2h44 s ASP 558 CO 0.66 0.11 1.88 -0.26 0.21 0.00 0.00 175.17 177.78 2h44 h PHE 559 N 5.47 0.00 -0.26 4.23 -1.00 -1.90 -2.74 116.94 120.75 2h44 h PHE 559 Ca -0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.32 2h44 h PHE 559 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 2h44 h PHE 559 CO 0.66 0.25 0.00 -1.13 -1.61 0.00 0.00 178.31 176.47 2h44 n SER 560 N -3.59 1.43 -4.51 2.17 3.41 -1.26 -4.86 113.62 106.41 2h44 n SER 560 Ca -0.01 -1.96 -0.45 0.00 -0.26 0.00 0.00 58.87 56.20 2h44 n SER 560 Cb 0.39 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 2h44 n SER 560 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2h44 n PHE 561 N 0.27 0.43 -4.71 7.33 7.35 -1.04 -4.80 117.46 122.29 2h44 n PHE 561 Ca 0.10 0.74 -0.24 0.00 -0.76 0.00 0.00 57.45 57.28 2h44 n PHE 561 Cb 0.23 -2.12 -0.16 0.00 0.35 0.00 0.00 39.48 37.79 2h44 n PHE 561 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2h44 s SER 562 N -0.76 1.89 0.04 -2.13 0.15 -1.26 -5.02 113.70 106.60 2h44 s SER 562 Ca 0.61 -0.31 0.23 0.00 0.70 0.00 0.00 55.95 57.18 2h44 s SER 562 Cb -0.73 -0.50 0.07 0.00 -1.71 0.00 0.00 66.02 63.15 2h44 s SER 562 CO 0.58 0.13 1.05 -0.90 1.20 0.00 0.00 173.24 175.31 2h44 n ASP 563 N 3.16 0.64 -0.32 5.45 5.75 -1.26 -4.56 116.55 125.40 2h44 n ASP 563 Ca -0.18 -0.31 0.16 0.00 -0.01 0.00 0.00 54.79 54.45 2h44 n ASP 563 Cb 0.53 0.77 0.35 0.00 -1.03 0.00 0.00 41.12 41.74 2h44 n ASP 563 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2h44 h PHE 564 N 0.00 0.74 -0.00 2.11 -0.00 -2.01 -0.63 116.94 117.15 2h44 h PHE 564 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.97 58.01 2h44 h PHE 564 Cb 0.67 -0.18 0.00 0.00 -0.00 0.00 0.00 35.95 36.45 2h44 h PHE 564 CO 0.00 -0.07 -0.03 0.39 -0.00 0.00 0.00 178.31 178.59 2h44 n GLU 565 N -5.04 0.74 -3.75 1.11 4.71 -1.26 -4.87 120.64 112.28 2h44 n GLU 565 Ca 0.25 -0.13 -0.35 0.00 -0.01 0.00 0.00 57.16 56.92 2h44 n GLU 565 Cb 0.74 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.62 2h44 n GLU 565 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2h44 s LEU 566 N -2.34 4.37 0.77 -4.62 1.43 -0.25 -5.10 118.68 112.94 2h44 s LEU 566 Ca 0.35 0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 53.91 2h44 s LEU 566 Cb 0.21 -2.67 0.05 0.00 0.03 0.00 0.00 46.19 43.81 2h44 s LEU 566 CO 0.43 0.26 1.14 -0.94 0.23 0.00 0.00 176.35 177.47 2h44 s SER 567 N -1.67 4.88 0.22 2.29 1.04 -1.26 -4.87 113.70 114.33 2h44 s SER 567 Ca 0.27 0.93 -0.08 0.00 0.48 0.00 0.00 55.95 57.56 2h44 s SER 567 Cb -0.13 -1.56 0.26 0.00 0.10 0.00 0.00 66.02 64.69 2h44 s SER 567 CO 0.16 -1.68 1.84 0.44 0.98 0.00 0.00 173.24 174.97 2h44 h ASP 568 N -0.90 0.73 -0.55 7.02 5.19 -1.99 -1.82 116.42 124.10 2h44 h ASP 568 Ca -0.46 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.02 2h44 h ASP 568 Cb 1.30 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 40.62 2h44 h ASP 568 CO 0.65 0.48 0.27 0.25 -3.12 0.00 0.00 179.24 177.77 2h44 h LEU 569 N 0.86 0.38 -1.52 1.55 5.85 -2.00 -1.53 115.31 118.90 2h44 h LEU 569 Ca 0.32 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 59.03 2h44 h LEU 569 Cb 0.12 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2h44 h LEU 569 CO -0.15 0.26 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.70 2h44 h GLU 570 N 0.52 0.08 0.00 1.25 5.08 -1.72 -0.28 114.58 119.51 2h44 h GLU 570 Ca 0.25 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 2h44 h GLU 570 Cb 0.17 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2h44 h GLU 570 CO -0.18 0.27 -0.56 1.79 -1.00 0.00 0.00 179.01 179.32 2h44 h THR 571 N 0.08 1.39 -0.22 1.13 1.35 -0.54 -0.98 112.91 115.12 2h44 h THR 571 Ca 0.01 -1.94 -0.17 0.00 -0.55 0.00 0.00 66.41 63.76 2h44 h THR 571 Cb 0.37 2.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2h44 h THR 571 CO 0.02 0.55 -0.56 0.00 -0.25 0.00 0.00 175.52 175.29 2h44 h ALA 572 N 1.44 0.59 -0.64 6.62 0.00 -0.41 -1.53 119.26 125.33 2h44 h ALA 572 Ca -0.01 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 2h44 h ALA 572 Cb 1.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2h44 h ALA 572 CO 0.07 0.69 0.05 -0.07 0.00 0.00 0.00 179.25 179.99 2h44 h LEU 573 N 0.53 1.06 -1.01 0.00 3.38 -0.80 -1.13 115.31 117.34 2h44 h LEU 573 Ca 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2h44 h LEU 573 Cb 1.14 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 2h44 h LEU 573 CO 0.11 1.08 0.48 0.00 0.09 0.00 0.00 178.44 180.20 2h44 h THR 575 N 1.18 1.27 -0.76 0.00 2.02 -0.79 -1.47 112.91 114.36 2h44 h THR 575 Ca 0.30 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.29 2h44 h THR 575 Cb 0.00 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 2h44 h THR 575 CO -0.05 0.41 0.47 0.40 0.37 0.00 0.00 175.52 177.12 2h44 h ILE 576 N 0.65 1.21 -0.61 3.11 2.04 -0.82 -1.90 117.51 121.20 2h44 h ILE 576 Ca 0.11 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 2h44 h ILE 576 Cb 0.62 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2h44 h ILE 576 CO 0.04 0.21 0.25 -0.09 0.00 0.00 0.00 178.15 178.57 2h44 h ARG 577 N 1.03 0.87 0.11 2.37 9.65 -1.03 0.18 114.38 127.56 2h44 h ARG 577 Ca 0.27 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 2h44 h ARG 577 Cb -0.06 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.36 2h44 h ARG 577 CO -0.05 0.71 -0.05 0.52 2.80 0.00 0.00 179.97 183.89 2h44 h MET 578 N 0.87 -0.14 -0.89 0.20 2.86 -0.52 0.84 114.93 118.15 2h44 h MET 578 Ca 0.21 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2h44 h MET 578 Cb 0.15 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2h44 h MET 578 CO -0.02 -0.04 0.55 0.74 1.06 0.00 0.00 176.91 179.20 2h44 h PHE 579 N -0.21 1.17 -0.06 -0.22 -1.00 -1.07 -2.58 116.94 112.98 2h44 h PHE 579 Ca -0.01 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 2h44 h PHE 579 Cb 0.17 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.34 2h44 h PHE 579 CO -0.05 0.77 -0.03 1.15 -1.61 0.00 0.00 178.31 178.54 2h44 h THR 580 N 1.23 1.33 0.00 -1.55 2.02 -0.67 -0.59 112.91 114.69 2h44 h THR 580 Ca 0.32 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2h44 h THR 580 Cb -0.06 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2h44 h THR 580 CO -0.06 0.29 0.00 0.47 0.37 0.00 0.00 175.52 176.59 2h44 n ASP 581 N -4.78 0.00 -1.37 4.18 9.92 0.26 -1.42 116.55 123.34 2h44 n ASP 581 Ca -0.07 0.48 0.11 0.00 -0.53 0.00 0.00 54.79 54.78 2h44 n ASP 581 Cb 0.26 -0.49 0.32 0.00 -0.64 0.00 0.00 41.12 40.57 2h44 n ASP 581 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2h44 n LEU 582 N -1.49 4.05 -1.60 0.64 4.77 -0.98 -4.94 117.00 117.45 2h44 n LEU 582 Ca 0.05 -2.06 -0.19 0.00 -0.03 0.00 0.00 56.01 53.78 2h44 n LEU 582 Cb 0.22 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 2h44 n LEU 582 CO 0.17 0.96 -0.19 0.59 -1.33 0.00 0.00 177.39 177.59 2h44 n ASN 583 N 1.55 -5.28 0.09 -1.43 3.02 -0.51 -4.90 115.26 107.79 2h44 n ASN 583 Ca 0.24 0.34 -0.15 0.00 -0.03 0.00 0.00 54.58 54.99 2h44 n ASN 583 Cb 0.66 -4.40 -0.10 0.00 -0.61 0.00 0.00 39.78 35.33 2h44 n ASN 583 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2h44 h LEU 584 N 0.00 0.46 -0.19 3.41 3.38 -1.29 -2.21 115.31 118.87 2h44 h LEU 584 Ca -0.40 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.11 2h44 h LEU 584 Cb 1.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2h44 h LEU 584 CO 0.55 1.29 0.03 0.58 0.09 0.00 0.00 178.44 180.98 2h44 h VAL 585 N 0.13 1.23 0.56 1.22 2.07 -1.83 -2.34 116.25 117.29 2h44 h VAL 585 Ca -0.11 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 2h44 h VAL 585 Cb 1.80 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 32.93 2h44 h VAL 585 CO 0.19 0.23 -0.27 -0.61 0.02 0.00 0.00 177.57 177.12 2h44 h GLN 586 N 0.10 -0.73 -0.29 1.57 4.15 -1.89 -1.57 115.11 116.46 2h44 h GLN 586 Ca 0.06 0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.56 2h44 h GLN 586 Cb 0.32 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 2h44 h GLN 586 CO 0.00 -0.48 0.19 -0.91 -1.93 0.00 0.00 178.83 175.70 2h44 h ASN 587 N -1.02 0.21 -0.50 -0.69 2.35 -1.50 -2.68 115.58 111.75 2h44 h ASN 587 Ca -0.08 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2h44 h ASN 587 Cb 0.58 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2h44 h ASN 587 CO 0.13 0.15 0.00 0.49 -1.65 0.00 0.00 177.43 176.54 2h44 n PHE 588 N -4.49 1.18 -3.86 1.19 3.72 -0.88 -4.98 117.46 109.34 2h44 n PHE 588 Ca 0.02 -0.65 -0.24 0.00 -0.05 0.00 0.00 57.45 56.53 2h44 n PHE 588 Cb 0.18 -0.23 -0.00 0.00 -0.94 0.00 0.00 39.48 38.49 2h44 n PHE 588 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2h44 n GLN 589 N 0.60 -3.82 -2.86 -1.08 6.02 -1.01 -4.18 117.38 111.05 2h44 n GLN 589 Ca 0.22 0.48 -0.41 0.00 -0.01 0.00 0.00 57.00 57.28 2h44 n GLN 589 Cb 0.81 -4.75 -0.04 0.00 1.02 0.00 0.00 30.24 27.29 2h44 n GLN 589 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2h44 s MET 590 N -6.34 4.35 0.20 -1.09 -1.94 -0.62 -4.72 119.30 109.14 2h44 s MET 590 Ca 0.01 1.09 -0.30 0.00 -1.71 0.00 0.00 55.69 54.78 2h44 s MET 590 Cb -0.00 -3.55 -0.08 0.00 2.01 0.00 0.00 34.83 33.21 2h44 s MET 590 CO 0.86 -0.27 1.10 0.21 -0.01 0.00 0.00 175.02 176.91 2h44 s LYS 591 N 1.92 4.60 0.19 2.03 2.20 -1.26 -4.88 119.74 124.54 2h44 s LYS 591 Ca 0.41 1.74 -0.15 0.00 -0.36 0.00 0.00 55.97 57.61 2h44 s LYS 591 Cb -0.17 -3.26 0.17 0.00 -1.51 0.00 0.00 37.83 33.06 2h44 s LYS 591 CO 0.15 0.10 1.65 1.25 -0.36 0.00 0.00 175.35 178.14 2h44 h HIS 592 N 4.84 -0.25 -0.23 4.03 -0.00 -1.98 -0.80 115.15 120.75 2h44 h HIS 592 Ca -0.45 0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 59.95 2h44 h HIS 592 Cb 1.21 0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.80 2h44 h HIS 592 CO 0.62 -0.21 0.04 1.49 -0.00 0.00 0.00 177.93 179.87 2h44 h GLU 593 N 0.01 0.33 -0.16 5.26 4.81 -1.95 -0.97 114.58 121.91 2h44 h GLU 593 Ca 0.25 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 2h44 h GLU 593 Cb 0.38 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2h44 h GLU 593 CO -0.52 0.32 -0.19 0.28 -0.73 0.00 0.00 179.01 178.16 2h44 h VAL 594 N 0.32 1.35 -0.50 0.32 2.07 -1.42 -1.36 116.25 117.03 2h44 h VAL 594 Ca 0.08 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 2h44 h VAL 594 Cb 0.15 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2h44 h VAL 594 CO -0.00 0.41 0.28 0.25 0.02 0.00 0.00 177.57 178.53 2h44 h LEU 595 N 0.04 0.62 -0.37 2.57 5.85 -0.90 -0.98 115.31 122.15 2h44 h LEU 595 Ca 0.02 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2h44 h LEU 595 Cb 0.75 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2h44 h LEU 595 CO 0.05 0.53 0.24 0.00 -0.34 0.00 0.00 178.44 178.92 2h44 h ARG 597 N 0.49 0.95 -0.28 0.00 2.43 -1.04 -1.73 114.38 115.20 2h44 h ARG 597 Ca 0.14 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2h44 h ARG 597 Cb -0.05 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 2h44 h ARG 597 CO -0.04 0.76 0.16 2.35 -1.51 0.00 0.00 179.97 181.69 2h44 h TRP 598 N 0.91 0.39 -0.46 2.20 7.01 -0.81 0.31 115.95 125.49 2h44 h TRP 598 Ca 0.23 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.23 2h44 h TRP 598 Cb 0.12 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 2h44 h TRP 598 CO 0.00 0.32 0.29 0.82 -2.79 0.00 0.00 178.44 177.08 2h44 h ILE 599 N 0.34 1.08 -0.67 2.65 2.04 -1.00 -0.74 117.51 121.21 2h44 h ILE 599 Ca 0.10 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 2h44 h ILE 599 Cb 0.06 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 2h44 h ILE 599 CO -0.02 0.11 0.23 -0.07 0.00 0.00 0.00 178.15 178.40 2h44 h LEU 600 N 0.58 0.94 -0.62 1.44 3.38 -1.07 -0.80 115.31 119.16 2h44 h LEU 600 Ca 0.18 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2h44 h LEU 600 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2h44 h LEU 600 CO -0.06 0.87 0.19 0.28 0.09 0.00 0.00 178.44 179.80 2h44 h SER 601 N 0.99 0.91 0.16 -0.43 0.02 -0.34 0.33 113.55 115.19 2h44 h SER 601 Ca 0.22 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2h44 h SER 601 Cb 0.25 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2h44 h SER 601 CO -0.01 0.88 -0.08 0.58 -1.14 0.00 0.00 176.83 177.06 2h44 h VAL 602 N 0.90 0.92 -0.61 2.27 2.07 -0.85 -2.01 116.25 118.94 2h44 h VAL 602 Ca 0.20 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.45 2h44 h VAL 602 Cb 0.30 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2h44 h VAL 602 CO -0.00 0.08 0.29 0.50 0.02 0.00 0.00 177.57 178.45 2h44 h LYS 603 N -0.38 0.51 -0.09 1.57 3.64 -0.99 -1.98 116.57 118.84 2h44 h LYS 603 Ca -0.02 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2h44 h LYS 603 Cb 0.30 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2h44 h LYS 603 CO 0.04 0.34 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.22 2h44 h LYS 604 N 0.52 0.14 0.00 1.90 3.64 -0.82 -2.65 116.57 119.31 2h44 h LYS 604 Ca 0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2h44 h LYS 604 Cb 0.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2h44 h LYS 604 CO -0.23 0.27 0.00 0.09 -2.27 0.00 0.00 179.45 177.31 2h44 n ASN 605 N -4.33 0.00 -4.92 4.20 3.02 -0.75 -4.75 115.26 107.73 2h44 n ASN 605 Ca -0.01 -0.17 -0.26 0.00 -0.03 0.00 0.00 54.58 54.11 2h44 n ASN 605 Cb 0.23 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2h44 n ASN 605 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2h44 s TYR 606 N -2.53 3.44 -0.25 3.10 1.51 -1.00 -4.91 117.35 116.71 2h44 s TYR 606 Ca 0.28 0.59 -0.05 0.00 -1.01 0.00 0.00 57.07 56.87 2h44 s TYR 606 Cb 0.19 -2.29 -0.00 0.00 -0.11 0.00 0.00 41.96 39.74 2h44 s TYR 606 CO 0.42 -0.30 0.02 1.03 -1.11 0.00 0.00 175.55 175.61 2h44 s ARG 607 N -4.66 3.28 0.54 -0.62 0.52 -1.26 -4.87 118.95 111.87 2h44 s ARG 607 Ca 0.47 -0.71 0.27 0.00 -0.52 0.00 0.00 55.73 55.24 2h44 s ARG 607 Cb -0.10 -3.19 1.56 0.00 0.52 0.00 0.00 34.95 33.74 2h44 s ARG 607 CO 0.42 -0.30 2.15 0.87 0.02 0.00 0.00 175.30 178.45 2h44 h LYS 608 N 8.17 0.00 0.00 3.54 1.57 -1.94 -2.03 116.57 125.87 2h44 h LYS 608 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2h44 h LYS 608 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2h44 h LYS 608 CO 0.59 0.07 0.00 0.27 -0.57 0.00 0.00 179.45 179.82 2h44 n ASN 609 N -3.82 0.00 -4.60 0.86 0.23 -1.26 -4.54 115.26 102.13 2h44 n ASN 609 Ca -0.02 -0.89 -0.40 0.00 -0.53 0.00 0.00 54.58 52.73 2h44 n ASN 609 Cb 0.17 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.78 2h44 n ASN 609 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2h44 s VAL 610 N -2.00 5.10 0.23 3.53 1.01 -0.76 -4.98 120.40 122.51 2h44 s VAL 610 Ca 0.42 0.61 -0.08 0.00 0.00 0.00 0.00 61.98 62.93 2h44 s VAL 610 Cb 0.19 -3.82 0.20 0.00 0.00 0.00 0.00 36.38 32.96 2h44 s VAL 610 CO 0.32 0.03 1.69 0.00 0.00 0.00 0.00 175.10 177.14 2h44 h ALA 611 N 8.20 0.80 0.00 5.51 0.00 -1.87 -3.40 119.26 128.51 2h44 h ALA 611 Ca -0.30 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2h44 h ALA 611 Cb 1.14 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2h44 h ALA 611 CO 0.70 -0.34 -1.13 0.98 0.00 0.00 0.00 179.25 179.47 2h44 n TYR 612 N -5.17 0.00 -2.30 0.00 9.36 -1.26 -4.86 117.16 112.93 2h44 n TYR 612 Ca 0.11 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.92 2h44 n TYR 612 Cb 0.39 -0.10 -0.01 0.00 -0.63 0.00 0.00 39.34 39.00 2h44 n TYR 612 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2h44 n HIS 613 N -3.14 4.18 -3.76 2.98 8.25 -1.26 -4.20 115.22 118.27 2h44 n HIS 613 Ca -0.06 -2.75 0.00 0.00 -0.26 0.00 0.00 57.72 54.65 2h44 n HIS 613 Cb 0.52 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 29.04 2h44 n HIS 613 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2h44 n ASN 614 N 8.23 0.60 -0.35 0.41 0.23 -1.26 -4.73 115.26 118.38 2h44 n ASN 614 Ca 0.49 -0.76 0.05 0.00 -0.53 0.00 0.00 54.58 53.84 2h44 n ASN 614 Cb 0.44 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.37 2h44 n ASN 614 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2h44 h TRP 615 N 0.76 1.13 -0.16 -2.53 2.91 -1.86 -1.59 115.95 114.60 2h44 h TRP 615 Ca 0.00 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 2h44 h TRP 615 Cb 0.00 -0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 28.27 2h44 h TRP 615 CO 0.00 0.53 -0.08 0.00 -1.03 0.00 0.00 178.44 177.86 2h44 h ARG 616 N 1.06 0.24 -0.17 2.65 2.47 -1.97 0.24 114.38 118.90 2h44 h ARG 616 Ca 0.45 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 59.07 2h44 h ARG 616 Cb 0.31 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 2h44 h ARG 616 CO -0.20 0.33 -0.09 1.25 0.56 0.00 0.00 179.97 181.82 2h44 h HIS 617 N 0.23 0.42 -0.60 3.04 -0.00 -1.47 -0.51 115.15 116.27 2h44 h HIS 617 Ca 0.05 -0.11 -0.02 0.00 -0.00 0.00 0.00 60.37 60.29 2h44 h HIS 617 Cb 0.29 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 2h44 h HIS 617 CO 0.00 0.69 0.29 0.00 -0.00 0.00 0.00 177.93 178.91 2h44 h ALA 618 N 0.67 0.77 -0.22 5.26 0.00 -1.08 0.13 119.26 124.79 2h44 h ALA 618 Ca 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2h44 h ALA 618 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2h44 h ALA 618 CO 0.03 0.34 0.13 0.35 0.00 0.00 0.00 179.25 180.10 2h44 h PHE 619 N 0.82 0.29 -0.29 0.00 3.57 -0.49 -1.20 116.94 119.64 2h44 h PHE 619 Ca 0.21 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 2h44 h PHE 619 Cb 0.12 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2h44 h PHE 619 CO -0.00 0.22 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.33 2h44 h ASN 620 N 0.27 0.43 -0.54 0.41 2.35 -0.77 0.26 115.58 117.99 2h44 h ASN 620 Ca 0.08 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 2h44 h ASN 620 Cb 0.01 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2h44 h ASN 620 CO -0.02 0.54 0.12 0.74 -1.65 0.00 0.00 177.43 177.16 2h44 h THR 621 N 0.43 1.25 -0.56 2.81 2.02 -0.54 -0.88 112.91 117.43 2h44 h THR 621 Ca 0.09 -0.89 -0.11 0.00 0.77 0.00 0.00 66.41 66.27 2h44 h THR 621 Cb 0.37 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2h44 h THR 621 CO 0.02 0.32 -0.07 0.00 0.37 0.00 0.00 175.52 176.16 2h44 h ALA 622 N 1.01 0.80 -0.72 6.16 0.00 -0.65 -1.85 119.26 124.01 2h44 h ALA 622 Ca 0.17 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2h44 h ALA 622 Cb 0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2h44 h ALA 622 CO 0.00 0.67 0.28 0.37 0.00 0.00 0.00 179.25 180.58 2h44 h GLN 623 N 0.93 1.07 -0.50 0.00 -0.00 -0.71 -0.04 115.11 115.85 2h44 h GLN 623 Ca 0.15 -0.19 -0.08 0.00 -0.00 0.00 0.00 58.65 58.53 2h44 h GLN 623 Cb 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.92 2h44 h GLN 623 CO 0.04 0.88 -0.01 0.00 0.00 0.00 0.00 178.83 179.74 2h44 h MET 625 N 0.79 0.72 -0.42 0.00 1.85 -0.67 0.48 114.93 117.68 2h44 h MET 625 Ca 0.15 -0.10 -0.00 0.00 -0.61 0.00 0.00 59.70 59.14 2h44 h MET 625 Cb 0.48 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.36 2h44 h MET 625 CO 0.02 0.60 0.26 0.35 -0.40 0.00 0.00 176.91 177.74 2h44 h PHE 626 N 0.67 0.55 -0.77 1.39 3.57 -0.47 -0.35 116.94 121.53 2h44 h PHE 626 Ca 0.17 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2h44 h PHE 626 Cb 0.11 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2h44 h PHE 626 CO -0.01 0.37 0.31 0.00 -2.23 0.00 0.00 178.31 176.76 2h44 h ALA 627 N 1.13 1.00 -0.37 2.41 0.00 -0.63 -0.23 119.26 122.56 2h44 h ALA 627 Ca 0.15 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2h44 h ALA 627 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2h44 h ALA 627 CO -0.03 0.62 -0.15 0.00 0.00 0.00 0.00 179.25 179.69 2h44 h ALA 628 N 1.16 1.05 -0.23 0.00 0.00 -0.58 0.24 119.26 120.90 2h44 h ALA 628 Ca 0.26 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 2h44 h ALA 628 Cb 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2h44 h ALA 628 CO -0.02 0.58 -0.61 -0.07 0.00 0.00 0.00 179.25 179.13 2h44 h LEU 629 N 0.61 0.88 0.00 0.00 3.38 -0.64 -2.49 115.31 117.05 2h44 h LEU 629 Ca 0.10 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2h44 h LEU 629 Cb 0.59 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2h44 h LEU 629 CO 0.04 1.28 -0.01 0.11 0.09 0.00 0.00 178.44 179.95 2h44 h LYS 630 N 0.58 0.00 -0.77 1.13 1.79 -0.88 -0.60 116.57 117.83 2h44 h LYS 630 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2h44 h LYS 630 Cb 1.21 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.82 2h44 h LYS 630 CO 0.13 0.00 0.41 0.00 -1.08 0.00 0.00 179.45 178.90 2h44 h ALA 631 N -1.98 1.27 -0.00 3.86 0.00 -0.76 -1.84 119.26 119.80 2h44 h ALA 631 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2h44 h ALA 631 Cb 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2h44 h ALA 631 CO 0.00 0.58 -0.01 0.41 0.00 0.00 0.00 179.25 180.24 2h44 n GLY 632 N -1.16 -1.27 2.65 0.00 0.00 -0.80 -4.78 105.19 99.83 2h44 n GLY 632 Ca 0.08 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 2h44 n GLY 632 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h44 n LYS 633 N -1.27 -2.89 0.12 1.61 5.02 -0.69 -4.61 118.16 115.45 2h44 n LYS 633 Ca 0.14 0.91 0.12 0.00 -2.02 0.00 0.00 58.31 57.46 2h44 n LYS 633 Cb 0.25 -5.64 0.18 0.00 -0.02 0.00 0.00 35.03 29.80 2h44 n LYS 633 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2h44 h ILE 634 N -0.50 0.00 -0.34 -0.18 2.04 -1.12 -3.35 117.51 114.06 2h44 h ILE 634 Ca -0.48 -0.72 0.07 0.00 1.00 0.00 0.00 64.86 64.73 2h44 h ILE 634 Cb 1.35 1.46 -0.07 0.00 -0.74 0.00 0.00 36.82 38.82 2h44 h ILE 634 CO 0.55 0.00 -0.10 -0.61 0.00 0.00 0.00 178.15 177.99 2h44 h GLN 635 N 0.00 -0.03 0.00 2.37 4.15 -1.36 -0.39 115.11 119.85 2h44 h GLN 635 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2h44 h GLN 635 Cb 0.86 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.56 2h44 h GLN 635 CO 0.00 -0.02 0.00 0.09 -1.93 0.00 0.00 178.83 176.97 2h44 n ASN 636 N -5.29 0.00 0.13 -0.69 3.02 -1.26 -2.41 115.26 108.77 2h44 n ASN 636 Ca 0.01 0.46 0.12 0.00 -0.03 0.00 0.00 54.58 55.14 2h44 n ASN 636 Cb 0.21 -0.48 0.15 0.00 -0.61 0.00 0.00 39.78 39.04 2h44 n ASN 636 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2h44 h LYS 637 N 0.00 0.00 -5.88 3.52 1.57 -1.26 -3.47 116.57 111.05 2h44 h LYS 637 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2h44 h LYS 637 Cb 0.22 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.41 2h44 h LYS 637 CO 0.00 0.00 -0.63 -0.51 -0.57 0.00 0.00 179.45 177.74 2h44 s LEU 638 N -5.26 2.85 0.53 2.94 1.43 -1.01 -5.03 118.68 115.13 2h44 s LEU 638 Ca 0.05 -1.19 -0.06 0.00 -1.03 0.00 0.00 54.13 51.90 2h44 s LEU 638 Cb 0.09 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 2h44 s LEU 638 CO 0.71 -0.30 0.85 0.42 0.23 0.00 0.00 176.35 178.26 2h44 s THR 639 N -2.62 4.41 0.38 5.49 -4.23 -1.26 -4.93 115.64 112.88 2h44 s THR 639 Ca 0.34 0.18 0.07 0.00 -1.18 0.00 0.00 61.69 61.10 2h44 s THR 639 Cb 0.04 -3.71 0.18 0.00 1.34 0.00 0.00 72.50 70.36 2h44 s THR 639 CO 0.18 -0.73 1.94 0.44 -0.54 0.00 0.00 174.62 175.91 2h44 h ASP 640 N 0.03 0.36 0.14 3.99 3.32 -1.97 -1.59 116.42 120.70 2h44 h ASP 640 Ca -0.46 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.42 2h44 h ASP 640 Cb 1.22 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 2h44 h ASP 640 CO 0.61 0.42 -0.41 -0.07 -1.72 0.00 0.00 179.24 178.08 2h44 h LEU 641 N 0.38 0.37 -0.29 1.55 3.38 -1.99 -0.41 115.31 118.30 2h44 h LEU 641 Ca 0.09 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 2h44 h LEU 641 Cb 0.26 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2h44 h LEU 641 CO 0.01 0.74 -0.36 -0.33 0.09 0.00 0.00 178.44 178.59 2h44 h GLU 642 N 0.29 0.75 -0.55 1.13 5.08 -1.81 -2.02 114.58 117.46 2h44 h GLU 642 Ca 0.03 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 2h44 h GLU 642 Cb 0.85 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2h44 h GLU 642 CO 0.07 1.05 0.23 0.82 -1.00 0.00 0.00 179.01 180.18 2h44 h ILE 643 N 0.51 1.21 -0.40 3.13 2.04 -1.10 0.14 117.51 123.04 2h44 h ILE 643 Ca 0.04 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.30 2h44 h ILE 643 Cb 0.94 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 2h44 h ILE 643 CO 0.09 0.25 0.16 0.25 0.00 0.00 0.00 178.15 178.89 2h44 h LEU 644 N 0.74 0.20 -0.58 1.44 5.85 -1.02 -1.08 115.31 120.85 2h44 h LEU 644 Ca 0.18 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2h44 h LEU 644 Cb 0.17 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2h44 h LEU 644 CO -0.02 0.15 0.27 0.00 -0.34 0.00 0.00 178.44 178.50 2h44 h ALA 645 N 1.24 0.75 -0.62 1.25 0.00 -0.93 -2.34 119.26 118.62 2h44 h ALA 645 Ca 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2h44 h ALA 645 Cb 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2h44 h ALA 645 CO -0.16 0.32 0.23 -0.07 0.00 0.00 0.00 179.25 179.57 2h44 h LEU 646 N 0.79 0.86 -0.31 0.00 3.38 -0.50 0.36 115.31 119.90 2h44 h LEU 646 Ca 0.20 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2h44 h LEU 646 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2h44 h LEU 646 CO -0.02 0.81 -0.14 0.25 0.09 0.00 0.00 178.44 179.43 2h44 h LEU 647 N 0.86 0.66 -0.61 1.67 5.85 -1.13 0.47 115.31 123.09 2h44 h LEU 647 Ca 0.20 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 2h44 h LEU 647 Cb 0.23 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2h44 h LEU 647 CO -0.01 0.92 0.24 0.40 -0.34 0.00 0.00 178.44 179.64 2h44 h ILE 648 N 0.41 1.23 -0.45 4.05 2.04 -1.33 -2.09 117.51 121.36 2h44 h ILE 648 Ca 0.07 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2h44 h ILE 648 Cb 0.66 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2h44 h ILE 648 CO 0.04 0.29 0.18 0.00 0.00 0.00 0.00 178.15 178.66 2h44 h ALA 649 N 1.09 0.59 -0.43 1.87 0.00 -0.77 -0.35 119.26 121.26 2h44 h ALA 649 Ca 0.20 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2h44 h ALA 649 Cb 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2h44 h ALA 649 CO -0.02 0.20 0.23 0.00 0.00 0.00 0.00 179.25 179.67 2h44 h ALA 650 N 1.02 0.54 0.00 0.00 0.00 -0.67 0.35 119.26 120.50 2h44 h ALA 650 Ca 0.15 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2h44 h ALA 650 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2h44 h ALA 650 CO -0.01 -0.11 -0.48 -0.07 0.00 0.00 0.00 179.25 178.58 2h44 h LEU 651 N 0.46 0.00 0.00 0.00 3.38 -1.19 -3.32 115.31 114.64 2h44 h LEU 651 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2h44 h LEU 651 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2h44 h LEU 651 CO -0.11 0.48 -0.99 -1.20 0.09 0.00 0.00 178.44 176.71 2h44 n SER 652 N -3.92 0.85 0.20 -0.43 7.64 -0.16 -4.72 113.62 113.08 2h44 n SER 652 Ca -0.01 -0.84 0.18 0.00 1.01 0.00 0.00 58.87 59.21 2h44 n SER 652 Cb 0.50 1.09 0.82 0.00 -1.01 0.00 0.00 64.21 65.62 2h44 n SER 652 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2h44 h HIS 653 N 0.00 0.00 -0.17 1.43 2.07 -0.42 -2.47 115.15 115.60 2h44 h HIS 653 Ca 0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2h44 h HIS 653 Cb 0.49 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.43 2h44 h HIS 653 CO 0.00 0.00 -0.13 -0.25 -3.07 0.00 0.00 177.93 174.48 2h44 n ASP 654 N -3.58 2.62 -0.07 3.10 8.00 -1.26 -4.77 116.55 120.58 2h44 n ASP 654 Ca 0.03 -3.46 0.11 0.00 0.71 0.00 0.00 54.79 52.18 2h44 n ASP 654 Cb 0.42 -0.54 0.49 0.00 -0.02 0.00 0.00 41.12 41.46 2h44 n ASP 654 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2h44 h LEU 655 N 0.94 0.39 -4.28 0.64 3.38 -1.73 -2.57 115.31 112.08 2h44 h LEU 655 Ca 0.07 0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.48 2h44 h LEU 655 Cb 1.31 -0.08 -0.22 0.00 0.09 0.00 0.00 40.66 41.77 2h44 h LEU 655 CO 0.17 0.24 0.67 -0.67 0.09 0.00 0.00 178.44 178.95 2h44 n ASP 656 N -4.47 7.02 -4.28 -0.43 2.03 -1.26 -4.77 116.55 110.38 2h44 n ASP 656 Ca 0.09 -3.46 -0.35 0.00 0.52 0.00 0.00 54.79 51.58 2h44 n ASP 656 Cb 0.32 -1.09 -0.14 0.00 -0.72 0.00 0.00 41.12 39.49 2h44 n ASP 656 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2h44 s HIS 657 N -2.80 3.04 -0.23 -0.67 2.46 -0.97 -4.88 115.29 111.24 2h44 s HIS 657 Ca 0.52 -1.15 0.13 0.00 0.47 0.00 0.00 55.06 55.03 2h44 s HIS 657 Cb 0.39 -2.13 0.50 0.00 -0.13 0.00 0.00 32.58 31.22 2h44 s HIS 657 CO -0.17 -0.61 1.43 0.54 -2.47 0.00 0.00 174.74 173.45 2h44 n ARG 658 N 4.77 2.30 -0.52 2.88 1.74 -1.26 -4.65 116.66 121.92 2h44 n ARG 658 Ca -0.17 -2.98 0.00 0.00 -0.77 0.00 0.00 57.85 53.93 2h44 n ARG 658 Cb 0.49 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2h44 n ARG 658 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2h44 n GLY 659 N -0.87 0.75 3.40 -0.13 0.00 -1.26 -5.00 105.19 102.07 2h44 n GLY 659 Ca 0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 2h44 n GLY 659 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h44 s VAL 660 N -2.41 5.17 -0.44 1.61 1.01 -1.26 -4.71 120.40 119.37 2h44 s VAL 660 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 60.76 2h44 s VAL 660 Cb 0.00 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2h44 s VAL 660 CO 0.00 -0.50 0.80 0.20 0.00 0.00 0.00 175.10 175.60 2h44 s ASN 661 N 2.34 6.44 0.00 3.32 0.01 -1.26 -4.90 114.94 120.89 2h44 s ASN 661 Ca 0.04 -0.02 0.23 0.00 -0.71 0.00 0.00 52.86 52.40 2h44 s ASN 661 Cb -0.23 -2.39 0.50 0.00 0.41 0.00 0.00 41.25 39.53 2h44 s ASN 661 CO 0.07 -0.91 1.43 0.59 -1.51 0.00 0.00 177.10 176.77 2h44 n ASN 662 N 6.73 2.80 -3.52 -1.22 3.02 -1.26 -4.80 115.26 117.01 2h44 n ASN 662 Ca 0.03 -1.89 -0.14 0.00 -0.03 0.00 0.00 54.58 52.54 2h44 n ASN 662 Cb 0.48 -0.14 -0.12 0.00 -0.61 0.00 0.00 39.78 39.39 2h44 n ASN 662 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2h44 s SER 663 N -1.67 0.76 0.28 6.41 0.01 -1.26 -1.36 113.70 116.88 2h44 s SER 663 Ca 0.35 0.17 -0.12 0.00 1.31 0.00 0.00 55.95 57.66 2h44 s SER 663 Cb 0.21 0.67 0.05 0.00 0.21 0.00 0.00 66.02 67.15 2h44 s SER 663 CO 0.30 -0.29 0.64 0.00 0.41 0.00 0.00 173.24 174.31 2h44 n TYR 664 N 5.34 -1.94 -4.16 2.43 4.11 -0.68 -4.77 117.16 117.48 2h44 n TYR 664 Ca -0.05 -1.38 -0.35 0.00 -0.00 0.00 0.00 57.90 56.12 2h44 n TYR 664 Cb 0.50 0.69 -0.13 0.00 -0.00 0.00 0.00 39.34 40.40 2h44 n TYR 664 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 2h44 s ILE 665 N -2.28 3.68 0.06 -3.48 1.01 -1.26 -0.77 121.20 118.16 2h44 s ILE 665 Ca 0.13 -0.41 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 2h44 s ILE 665 Cb -0.04 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 2h44 s ILE 665 CO 0.09 0.45 0.35 -1.10 0.00 0.00 0.00 174.94 174.72 2h44 s GLN 666 N 0.96 3.68 -1.37 2.79 -0.21 0.65 -4.41 119.66 121.75 2h44 s GLN 666 Ca 0.00 0.05 -0.07 0.00 0.02 0.00 0.00 55.36 55.36 2h44 s GLN 666 Cb -0.15 -3.01 0.03 0.00 1.00 0.00 0.00 33.01 30.88 2h44 s GLN 666 CO 0.01 0.58 1.03 0.54 -2.12 0.00 0.00 175.29 175.34 2h44 n ARG 667 N 0.89 -6.67 0.25 2.91 1.74 -1.26 -1.26 116.66 113.27 2h44 n ARG 667 Ca -0.09 0.74 0.09 0.00 -0.77 0.00 0.00 57.85 57.83 2h44 n ARG 667 Cb 0.52 -5.68 0.66 0.00 -1.02 0.00 0.00 32.46 26.94 2h44 n ARG 667 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2h44 h SER 668 N -2.28 0.00 0.56 0.55 4.64 -1.90 -1.80 113.55 113.32 2h44 h SER 668 Ca -0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2h44 h SER 668 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2h44 h SER 668 CO 0.58 0.10 0.00 -1.84 -0.87 0.00 0.00 176.83 174.80 2h44 n GLU 669 N -4.13 0.19 -3.54 4.77 0.00 -1.26 -4.30 120.64 112.37 2h44 n GLU 669 Ca -0.03 0.09 -0.41 0.00 0.00 0.00 0.00 57.16 56.82 2h44 n GLU 669 Cb 0.18 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.04 2h44 n GLU 669 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2h44 s HIS 670 N -2.75 3.44 0.38 -1.84 3.76 -0.68 -4.97 115.29 112.63 2h44 s HIS 670 Ca 0.17 -1.93 0.22 0.00 -0.15 0.00 0.00 55.06 53.37 2h44 s HIS 670 Cb 0.15 -3.51 1.33 0.00 1.11 0.00 0.00 32.58 31.65 2h44 s HIS 670 CO 0.37 -0.98 1.60 -1.35 -0.85 0.00 0.00 174.74 173.52 2h44 h PRO 671 N 8.31 0.06 -0.26 8.40 0.11 -1.83 -0.95 132.00 145.83 2h44 h PRO 671 Ca -0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2h44 h PRO 671 Cb 1.06 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2h44 h PRO 671 CO 0.85 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.96 2h44 n LEU 672 N -5.14 2.80 -0.39 2.35 7.99 -1.26 -4.55 117.00 118.79 2h44 n LEU 672 Ca 0.37 -1.54 0.05 0.00 -0.01 0.00 0.00 56.01 54.88 2h44 n LEU 672 Cb 1.28 -0.17 0.08 0.00 -0.11 0.00 0.00 43.42 44.49 2h44 n LEU 672 CO 0.05 0.63 0.38 0.00 -1.51 0.00 0.00 177.39 176.94 2h44 n ALA 673 N 0.86 2.25 -1.78 -1.18 0.00 -0.39 -5.07 120.51 115.20 2h44 n ALA 673 Ca 0.13 -1.94 -0.41 0.00 0.00 0.00 0.00 53.44 51.21 2h44 n ALA 673 Cb 0.44 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.41 2h44 n ALA 673 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2h44 s GLN 674 N -1.45 4.38 -0.02 0.00 -0.21 -1.01 -4.77 119.66 116.58 2h44 s GLN 674 Ca 0.19 2.18 0.05 0.00 0.02 0.00 0.00 55.36 57.80 2h44 s GLN 674 Cb 0.17 -3.08 -0.01 0.00 1.00 0.00 0.00 33.01 31.09 2h44 s GLN 674 CO -0.00 -0.16 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.33 2h44 s LEU 675 N -1.69 1.98 -0.19 2.90 1.43 -0.39 -4.99 118.68 117.72 2h44 s LEU 675 Ca 0.49 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.20 2h44 s LEU 675 Cb -0.39 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 2h44 s LEU 675 CO 0.51 0.18 0.08 -0.47 0.23 0.00 0.00 176.35 176.89 2h44 s TYR 676 N -0.23 3.27 0.08 0.29 6.14 -1.26 -0.25 117.35 125.39 2h44 s TYR 676 Ca 0.03 0.10 0.09 0.00 0.64 0.00 0.00 57.07 57.92 2h44 s TYR 676 Cb -0.08 -2.11 -0.03 0.00 0.42 0.00 0.00 41.96 40.16 2h44 s TYR 676 CO 0.00 0.14 -0.23 0.00 0.64 0.00 0.00 175.55 176.11 2h44 s HIS 678 N -0.99 -0.45 0.54 0.00 -3.43 -1.26 -1.69 115.29 108.01 2h44 s HIS 678 Ca 0.09 0.90 -0.21 0.00 -0.80 0.00 0.00 55.06 55.04 2h44 s HIS 678 Cb -0.10 0.22 -0.05 0.00 -1.43 0.00 0.00 32.58 31.23 2h44 s HIS 678 CO 0.04 -0.42 1.27 -1.54 -2.00 0.00 0.00 174.74 172.09 2h44 s SER 679 N -0.75 5.47 0.37 7.38 1.04 -0.46 -4.91 113.70 121.85 2h44 s SER 679 Ca -0.08 2.54 0.16 0.00 0.48 0.00 0.00 55.95 59.05 2h44 s SER 679 Cb -0.03 -2.62 0.74 0.00 0.10 0.00 0.00 66.02 64.21 2h44 s SER 679 CO 0.05 -1.42 1.79 0.40 0.98 0.00 0.00 173.24 175.05 2h44 h ILE 680 N 1.39 1.09 -3.58 -1.02 1.08 -2.01 -3.43 117.51 111.03 2h44 h ILE 680 Ca -0.50 -1.40 -0.50 0.00 -0.39 0.00 0.00 64.86 62.07 2h44 h ILE 680 Cb 1.29 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 36.83 2h44 h ILE 680 CO 0.57 0.37 0.06 -0.04 -0.69 0.00 0.00 178.15 178.42 2h44 s MET 681 N -3.92 3.75 0.53 2.37 -1.94 -1.26 -5.10 119.30 113.73 2h44 s MET 681 Ca -0.02 0.37 0.07 0.00 -1.71 0.00 0.00 55.69 54.40 2h44 s MET 681 Cb 0.13 -2.45 0.05 0.00 2.01 0.00 0.00 34.83 34.57 2h44 s MET 681 CO 0.70 0.03 0.72 -1.21 -0.01 0.00 0.00 175.02 175.25 2h44 s GLU 682 N -3.75 2.47 0.32 2.03 2.02 -1.26 -5.13 118.70 115.41 2h44 s GLU 682 Ca 0.50 -1.34 0.08 0.00 0.02 0.00 0.00 54.97 54.22 2h44 s GLU 682 Cb -0.10 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 2h44 s GLU 682 CO 0.30 -0.67 0.21 -1.01 0.02 0.00 0.00 175.26 174.12 2h44 s HIS 683 N -2.60 2.85 -0.41 1.61 3.76 -1.26 -5.06 115.29 114.18 2h44 s HIS 683 Ca 0.59 -0.30 0.04 0.00 -0.15 0.00 0.00 55.06 55.24 2h44 s HIS 683 Cb -0.08 -1.66 0.47 0.00 1.11 0.00 0.00 32.58 32.42 2h44 s HIS 683 CO 0.37 0.30 1.51 0.72 -0.85 0.00 0.00 174.74 176.79 2h44 n HIS 684 N -1.25 2.59 -0.07 1.40 -0.00 -1.26 -4.74 115.22 111.89 2h44 n HIS 684 Ca -0.03 -2.36 -0.11 0.00 -0.00 0.00 0.00 57.72 55.22 2h44 n HIS 684 Cb 0.60 -0.72 -0.04 0.00 -0.00 0.00 0.00 29.99 29.83 2h44 n HIS 684 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2h44 h HIS 685 N 1.89 0.39 -0.82 4.41 3.86 -1.89 -2.34 115.15 120.65 2h44 h HIS 685 Ca 0.42 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.56 2h44 h HIS 685 Cb 1.35 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.67 2h44 h HIS 685 CO 1.08 0.50 0.44 0.35 0.86 0.00 0.00 177.93 181.15 2h44 h PHE 686 N 0.18 1.15 -0.86 2.45 3.57 -1.89 -1.81 116.94 119.72 2h44 h PHE 686 Ca 0.07 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.58 2h44 h PHE 686 Cb 0.31 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 2h44 h PHE 686 CO 0.02 0.81 0.55 -0.44 -2.23 0.00 0.00 178.31 177.01 2h44 h ASP 687 N 1.15 0.88 -0.40 0.41 3.32 -1.86 0.16 116.42 120.07 2h44 h ASP 687 Ca 0.29 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 2h44 h ASP 687 Cb 0.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2h44 h ASP 687 CO -0.04 0.58 -0.22 1.56 -1.72 0.00 0.00 179.24 179.39 2h44 h GLN 688 N 1.02 0.90 -0.17 3.56 1.08 -1.03 -0.58 115.11 119.90 2h44 h GLN 688 Ca 0.36 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2h44 h GLN 688 Cb 0.10 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2h44 h GLN 688 CO -0.15 1.03 0.11 0.00 -0.95 0.00 0.00 178.83 178.87 2h44 h LEU 690 N 0.22 0.71 -0.66 0.00 5.85 -0.52 -1.54 115.31 119.36 2h44 h LEU 690 Ca 0.06 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.79 2h44 h LEU 690 Cb -0.02 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 2h44 h LEU 690 CO -0.02 0.60 0.29 -0.03 -0.34 0.00 0.00 178.44 178.93 2h44 h MET 691 N 0.76 0.48 -0.35 1.25 4.05 -0.80 -0.61 114.93 119.72 2h44 h MET 691 Ca 0.20 -0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.44 2h44 h MET 691 Cb 0.05 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.73 2h44 h MET 691 CO -0.03 0.32 -0.37 0.82 0.23 0.00 0.00 176.91 177.88 2h44 h ILE 692 N 0.49 1.28 0.00 1.77 2.04 -1.04 -2.26 117.51 119.79 2h44 h ILE 692 Ca 0.33 -1.54 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 2h44 h ILE 692 Cb 0.40 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2h44 h ILE 692 CO -0.30 0.51 -0.09 -0.07 0.00 0.00 0.00 178.15 178.20 2h44 h LEU 693 N 0.65 0.00 -2.38 1.44 3.38 -0.68 -2.20 115.31 115.53 2h44 h LEU 693 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2h44 h LEU 693 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2h44 h LEU 693 CO 0.09 0.09 0.00 0.59 0.09 0.00 0.00 178.44 179.30 2h44 n ASN 694 N -3.90 3.41 -4.74 -0.43 3.02 -0.29 -3.95 115.26 108.37 2h44 n ASN 694 Ca -0.02 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.15 2h44 n ASN 694 Cb 0.18 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 39.04 2h44 n ASN 694 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2h44 s SER 695 N -1.35 7.40 0.21 6.41 0.01 -0.83 -4.95 113.70 120.59 2h44 s SER 695 Ca 0.37 2.02 -0.32 0.00 1.31 0.00 0.00 55.95 59.33 2h44 s SER 695 Cb 0.21 -2.60 -0.14 0.00 0.21 0.00 0.00 66.02 63.70 2h44 s SER 695 CO 0.30 -0.10 1.35 -0.81 0.41 0.00 0.00 173.24 174.39 2h44 n PRO 696 N 2.15 1.77 -0.17 12.44 -0.04 -1.26 -1.04 135.00 148.84 2h44 n PRO 696 Ca 0.01 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 2h44 n PRO 696 Cb 0.47 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2h44 n PRO 696 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h44 n GLY 697 N 2.24 1.79 0.09 0.55 0.00 -1.26 -4.85 105.19 103.75 2h44 n GLY 697 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 2h44 n GLY 697 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2h44 n ASN 698 N 0.00 2.18 -4.05 1.61 3.02 -0.21 -4.51 115.26 113.29 2h44 n ASN 698 Ca 0.00 -2.16 -0.41 0.00 -0.03 0.00 0.00 54.58 51.98 2h44 n ASN 698 Cb 0.00 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 2h44 n ASN 698 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h44 n GLN 699 N -0.51 2.64 0.00 3.52 6.02 -1.24 -4.65 117.38 123.16 2h44 n GLN 699 Ca 0.04 -2.68 0.05 0.00 -0.01 0.00 0.00 57.00 54.39 2h44 n GLN 699 Cb 0.33 -3.34 0.22 0.00 1.02 0.00 0.00 30.24 28.47 2h44 n GLN 699 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2h44 n ILE 700 N 5.89 1.20 -0.03 5.09 -5.35 -1.26 -1.64 119.36 123.26 2h44 n ILE 700 Ca 0.50 0.30 0.10 0.00 -0.27 0.00 0.00 62.75 63.38 2h44 n ILE 700 Cb 0.42 -1.13 0.22 0.00 -1.74 0.00 0.00 39.64 37.41 2h44 n ILE 700 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2h44 n LEU 701 N -1.46 3.36 0.33 7.28 4.77 -1.26 -4.53 117.00 125.49 2h44 n LEU 701 Ca 0.03 -1.75 0.22 0.00 -0.03 0.00 0.00 56.01 54.48 2h44 n LEU 701 Cb 0.11 -0.30 1.13 0.00 -2.33 0.00 0.00 43.42 42.03 2h44 n LEU 701 CO 0.09 0.79 1.15 0.77 -1.33 0.00 0.00 177.39 178.86 2h44 h SER 702 N 3.59 0.00 0.37 -1.43 4.64 -1.66 -2.08 113.55 116.98 2h44 h SER 702 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2h44 h SER 702 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2h44 h SER 702 CO 0.00 0.00 -0.06 0.61 -0.87 0.00 0.00 176.83 176.51 2h44 n GLY 703 N -0.89 -1.03 3.89 -0.77 0.00 -1.26 -4.88 105.19 100.25 2h44 n GLY 703 Ca -0.02 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 2h44 n GLY 703 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h44 s LEU 704 N -2.43 3.63 0.85 0.99 1.02 -0.78 -4.87 118.68 117.09 2h44 s LEU 704 Ca 0.32 1.11 -0.12 0.00 0.02 0.00 0.00 54.13 55.45 2h44 s LEU 704 Cb 0.20 -4.05 0.10 0.00 0.02 0.00 0.00 46.19 42.46 2h44 s LEU 704 CO 0.45 -0.57 1.12 -0.94 0.02 0.00 0.00 176.35 176.43 2h44 s SER 705 N -3.76 4.06 0.17 2.29 1.04 -1.26 -4.76 113.70 111.48 2h44 s SER 705 Ca 0.50 1.11 -0.14 0.00 0.48 0.00 0.00 55.95 57.90 2h44 s SER 705 Cb -0.10 -1.76 0.12 0.00 0.10 0.00 0.00 66.02 64.38 2h44 s SER 705 CO 0.41 -2.22 1.74 0.40 0.98 0.00 0.00 173.24 174.55 2h44 h ILE 706 N -1.27 0.84 -0.38 -1.02 1.08 -1.98 0.10 117.51 114.88 2h44 h ILE 706 Ca -0.49 -0.10 -0.11 0.00 -0.39 0.00 0.00 64.86 63.77 2h44 h ILE 706 Cb 1.30 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 2h44 h ILE 706 CO 0.61 0.05 -0.19 -0.33 -0.69 0.00 0.00 178.15 177.60 2h44 h GLU 707 N 0.30 0.80 -0.60 2.37 4.39 -2.00 -2.24 114.58 117.61 2h44 h GLU 707 Ca 0.21 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 2h44 h GLU 707 Cb 0.21 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2h44 h GLU 707 CO -0.22 0.98 0.23 0.93 -1.16 0.00 0.00 179.01 179.77 2h44 h GLU 708 N 0.60 0.87 -0.28 2.33 5.08 -1.83 -1.42 114.58 119.94 2h44 h GLU 708 Ca 0.08 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2h44 h GLU 708 Cb 0.74 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2h44 h GLU 708 CO 0.06 0.71 0.10 -0.92 -1.00 0.00 0.00 179.01 177.96 2h44 h TYR 709 N 0.85 0.44 -0.52 4.33 3.20 -0.67 -0.03 116.97 124.58 2h44 h TYR 709 Ca 0.20 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2h44 h TYR 709 Cb 0.17 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2h44 h TYR 709 CO 0.01 0.46 0.19 -0.22 -1.64 0.00 0.00 178.16 176.96 2h44 h LYS 710 N 0.29 0.78 -0.30 1.82 3.64 -1.09 -1.54 116.57 120.17 2h44 h LYS 710 Ca 0.09 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2h44 h LYS 710 Cb 0.22 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2h44 h LYS 710 CO -0.00 0.70 0.07 1.15 -2.27 0.00 0.00 179.45 179.10 2h44 h THR 711 N 0.70 1.22 -0.68 1.00 2.02 -1.16 -2.64 112.91 113.37 2h44 h THR 711 Ca 0.17 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 2h44 h THR 711 Cb 0.22 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 2h44 h THR 711 CO -0.01 0.24 0.27 0.74 0.37 0.00 0.00 175.52 177.13 2h44 h THR 712 N 0.31 1.23 -0.35 3.16 2.02 -0.88 -2.07 112.91 116.34 2h44 h THR 712 Ca 0.09 -0.73 -0.07 0.00 0.77 0.00 0.00 66.41 66.48 2h44 h THR 712 Cb 0.29 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2h44 h THR 712 CO 0.00 0.29 -0.08 -0.07 0.37 0.00 0.00 175.52 176.04 2h44 h LEU 713 N 0.97 0.56 -0.53 2.58 3.38 -1.19 -0.95 115.31 120.13 2h44 h LEU 713 Ca 0.23 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2h44 h LEU 713 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2h44 h LEU 713 CO -0.02 0.68 0.02 0.50 0.09 0.00 0.00 178.44 179.71 2h44 h LYS 714 N 0.54 0.93 -0.48 1.13 3.64 -1.02 -1.36 116.57 119.95 2h44 h LYS 714 Ca 0.10 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.07 2h44 h LYS 714 Cb 0.47 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2h44 h LYS 714 CO 0.02 0.94 -0.20 0.82 -2.27 0.00 0.00 179.45 178.76 2h44 h ILE 715 N 0.81 1.27 -0.35 2.00 2.04 -1.05 -2.05 117.51 120.18 2h44 h ILE 715 Ca 0.15 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 2h44 h ILE 715 Cb 0.50 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2h44 h ILE 715 CO 0.02 0.47 0.17 0.40 0.00 0.00 0.00 178.15 179.22 2h44 h ILE 716 N 0.84 1.16 -0.50 -0.67 2.04 -1.04 0.02 117.51 119.36 2h44 h ILE 716 Ca 0.11 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2h44 h ILE 716 Cb 0.77 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2h44 h ILE 716 CO 0.06 0.17 0.30 0.50 0.00 0.00 0.00 178.15 179.18 2h44 h LYS 717 N 0.43 0.59 -0.49 2.37 3.64 -1.13 -0.32 116.57 121.65 2h44 h LYS 717 Ca 0.12 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2h44 h LYS 717 Cb 0.10 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2h44 h LYS 717 CO -0.02 0.39 -0.02 1.96 -2.27 0.00 0.00 179.45 179.49 2h44 h GLN 718 N 0.61 0.84 -0.46 1.90 4.20 -1.13 -0.86 115.11 120.20 2h44 h GLN 718 Ca 0.20 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2h44 h GLN 718 Cb 0.00 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2h44 h GLN 718 CO -0.08 0.85 0.01 0.00 -0.67 0.00 0.00 178.83 178.94 2h44 h ALA 719 N 1.20 0.62 -0.24 3.87 0.00 -0.52 -1.28 119.26 122.91 2h44 h ALA 719 Ca 0.14 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2h44 h ALA 719 Cb 0.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2h44 h ALA 719 CO 0.03 0.41 -0.07 0.82 0.00 0.00 0.00 179.25 180.44 2h44 h ILE 720 N 0.66 1.29 -0.54 0.00 2.04 -0.87 -2.95 117.51 117.14 2h44 h ILE 720 Ca 0.13 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.91 2h44 h ILE 720 Cb 0.49 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 2h44 h ILE 720 CO 0.02 0.34 0.36 -0.07 0.00 0.00 0.00 178.15 178.80 2h44 h LEU 721 N 0.21 0.60 -2.60 1.44 3.38 -1.08 -1.88 115.31 115.38 2h44 h LEU 721 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2h44 h LEU 721 Cb 0.54 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2h44 h LEU 721 CO 0.03 0.43 -0.01 0.00 0.09 0.00 0.00 178.44 178.98 2h44 h ALA 722 N 1.67 1.34 0.00 1.53 0.00 -1.05 -1.98 119.26 120.77 2h44 h ALA 722 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2h44 h ALA 722 Cb -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2h44 h ALA 722 CO -0.05 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.46 2h44 n THR 723 N -3.59 0.21 -2.59 0.00 -2.24 -0.71 -4.31 114.28 101.05 2h44 n THR 723 Ca -0.03 0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 2h44 n THR 723 Cb 0.09 -0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 67.60 2h44 n THR 723 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2h44 s ASP 724 N -2.37 7.10 0.44 3.42 -1.08 -0.75 -4.91 116.67 118.52 2h44 s ASP 724 Ca 0.26 1.56 0.20 0.00 -0.52 0.00 0.00 52.55 54.05 2h44 s ASP 724 Cb 0.15 -2.55 1.16 0.00 -1.46 0.00 0.00 42.92 40.23 2h44 s ASP 724 CO 0.31 -0.61 1.85 -0.07 0.52 0.00 0.00 175.17 177.18 2h44 h LEU 725 N 8.85 0.33 -0.15 -1.34 3.38 -1.86 -2.04 115.31 122.48 2h44 h LEU 725 Ca -0.27 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.78 2h44 h LEU 725 Cb 1.11 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2h44 h LEU 725 CO 0.92 0.12 -0.07 0.00 0.09 0.00 0.00 178.44 179.51 2h44 h ALA 726 N 1.60 0.06 -0.20 1.53 0.00 -1.92 0.30 119.26 120.64 2h44 h ALA 726 Ca 0.48 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.36 2h44 h ALA 726 Cb 1.32 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2h44 h ALA 726 CO -0.16 -0.51 -0.26 1.25 0.00 0.00 0.00 179.25 179.57 2h44 h LEU 727 N -0.05 0.37 0.18 0.00 6.46 -1.69 -1.40 115.31 119.18 2h44 h LEU 727 Ca 0.08 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2h44 h LEU 727 Cb 0.17 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2h44 h LEU 727 CO -0.18 0.63 -0.09 0.22 -0.62 0.00 0.00 178.44 178.40 2h44 h TYR 728 N 0.33 -0.23 -0.64 1.25 3.20 -1.05 -1.01 116.97 118.82 2h44 h TYR 728 Ca 0.05 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2h44 h TYR 728 Cb 0.64 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 2h44 h TYR 728 CO 0.02 -0.00 0.42 0.82 -1.64 0.00 0.00 178.16 177.78 2h44 h ILE 729 N -0.43 1.10 -0.39 1.81 2.04 -0.81 -0.32 117.51 120.52 2h44 h ILE 729 Ca -0.03 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 2h44 h ILE 729 Cb 0.33 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2h44 h ILE 729 CO 0.04 0.14 -0.26 0.50 0.00 0.00 0.00 178.15 178.57 2h44 h LYS 730 N 0.78 0.87 0.00 2.37 3.64 -1.03 -3.35 116.57 119.85 2h44 h LYS 730 Ca 0.25 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2h44 h LYS 730 Cb 0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2h44 h LYS 730 CO -0.07 1.05 -1.20 0.54 -2.27 0.00 0.00 179.45 177.51 2h44 n ARG 731 N -4.18 0.15 -0.07 1.90 1.74 -0.40 -4.54 116.66 111.26 2h44 n ARG 731 Ca -0.02 -0.04 0.01 0.00 -0.77 0.00 0.00 57.85 57.03 2h44 n ARG 731 Cb 0.47 -1.51 0.32 0.00 -1.02 0.00 0.00 32.46 30.73 2h44 n ARG 731 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2h44 h ARG 732 N 0.00 0.68 -0.72 5.56 0.11 -1.19 -2.92 114.38 115.90 2h44 h ARG 732 Ca 0.00 -0.07 0.11 0.00 0.10 0.00 0.00 59.98 60.11 2h44 h ARG 732 Cb 0.61 -0.14 -0.08 0.00 1.11 0.00 0.00 29.97 31.48 2h44 h ARG 732 CO 0.00 0.52 0.34 0.78 0.10 0.00 0.00 179.97 181.71 2h44 h GLY 733 N 0.78 1.09 1.00 0.08 0.00 -1.80 -0.02 103.07 104.20 2h44 h GLY 733 Ca 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2h44 h GLY 733 CO -0.03 0.01 0.39 -2.09 0.00 0.00 0.00 176.54 174.82 2h44 h GLU 734 N 0.55 0.86 -0.13 4.80 4.81 -1.83 -1.01 114.58 122.62 2h44 h GLU 734 Ca 0.37 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2h44 h GLU 734 Cb 0.45 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2h44 h GLU 734 CO -0.31 0.60 0.04 0.35 -0.73 0.00 0.00 179.01 178.96 2h44 h PHE 735 N 0.86 0.22 -0.85 0.92 3.57 -1.33 -1.66 116.94 118.68 2h44 h PHE 735 Ca 0.23 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.71 2h44 h PHE 735 Cb -0.04 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 2h44 h PHE 735 CO -0.02 0.36 0.56 0.74 -2.23 0.00 0.00 178.31 177.71 2h44 h PHE 736 N 0.02 1.07 -0.39 0.41 0.05 -0.84 -0.97 116.94 116.29 2h44 h PHE 736 Ca 0.04 0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.78 2h44 h PHE 736 Cb 0.24 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 37.82 2h44 h PHE 736 CO 0.00 0.68 -0.03 1.49 -0.18 0.00 0.00 178.31 180.28 2h44 h GLU 737 N 1.15 0.71 -0.53 1.51 4.81 -1.03 0.30 114.58 121.50 2h44 h GLU 737 Ca 0.31 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2h44 h GLU 737 Cb -0.12 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 2h44 h GLU 737 CO -0.07 0.82 0.34 -0.07 -0.73 0.00 0.00 179.01 179.30 2h44 h LEU 738 N 0.53 0.62 -0.41 1.64 3.38 -0.81 -1.65 115.31 118.61 2h44 h LEU 738 Ca 0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2h44 h LEU 738 Cb 0.52 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2h44 h LEU 738 CO 0.03 0.46 0.09 0.40 0.09 0.00 0.00 178.44 179.51 2h44 h ILE 739 N 0.72 1.23 -0.73 1.22 2.04 -1.01 0.19 117.51 121.16 2h44 h ILE 739 Ca 0.19 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.28 2h44 h ILE 739 Cb -0.06 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2h44 h ILE 739 CO -0.04 0.28 0.48 -0.09 0.00 0.00 0.00 178.15 178.78 2h44 h ARG 740 N 0.53 0.88 -0.59 2.37 2.43 -0.64 -1.86 114.38 117.50 2h44 h ARG 740 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2h44 h ARG 740 Cb 0.32 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2h44 h ARG 740 CO 0.00 0.58 0.00 1.63 -1.51 0.00 0.00 179.97 180.67 2h44 n LYS 741 N -4.45 2.63 -3.73 0.20 5.02 -0.65 -4.92 118.16 112.26 2h44 n LYS 741 Ca 0.09 -2.08 -0.28 0.00 -2.02 0.00 0.00 58.31 54.01 2h44 n LYS 741 Cb 0.11 -1.57 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 2h44 n LYS 741 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2h44 n ASN 742 N 1.00 -4.77 -0.46 4.39 3.02 -0.70 -4.86 115.26 112.87 2h44 n ASN 742 Ca 0.19 -0.66 0.07 0.00 -0.03 0.00 0.00 54.58 54.16 2h44 n ASN 742 Cb 0.57 -3.83 0.03 0.00 -0.61 0.00 0.00 39.78 35.94 2h44 n ASN 742 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h44 n GLN 743 N -4.45 1.45 -1.75 3.52 6.02 0.60 -4.99 117.38 117.78 2h44 n GLN 743 Ca 0.02 -1.07 -0.42 0.00 -0.01 0.00 0.00 57.00 55.52 2h44 n GLN 743 Cb 0.54 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.51 2h44 n GLN 743 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2h44 s PHE 744 N -1.50 1.45 -0.34 1.08 5.36 -1.17 -4.95 117.98 117.92 2h44 s PHE 744 Ca 0.15 -0.31 0.03 0.00 -0.96 0.00 0.00 56.93 55.84 2h44 s PHE 744 Cb 0.12 -4.17 0.10 0.00 -0.34 0.00 0.00 43.02 38.73 2h44 s PHE 744 CO 0.27 -5.18 0.06 1.21 -1.46 0.00 0.00 175.22 170.12 2h44 s ASN 745 N 4.15 4.81 0.33 6.13 3.04 -1.26 -5.00 114.94 127.14 2h44 s ASN 745 Ca 0.85 -2.08 0.11 0.00 0.04 0.00 0.00 52.86 51.78 2h44 s ASN 745 Cb -0.41 -1.65 0.96 0.00 -1.54 0.00 0.00 41.25 38.61 2h44 s ASN 745 CO 0.39 -0.38 1.71 -0.07 -3.04 0.00 0.00 177.10 175.70 2h44 h LEU 746 N 7.68 0.62 -0.42 3.21 3.38 -1.92 -1.70 115.31 126.16 2h44 h LEU 746 Ca -0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2h44 h LEU 746 Cb 1.03 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2h44 h LEU 746 CO 0.54 0.03 0.00 -0.62 0.09 0.00 0.00 178.44 178.48 2h44 n GLU 747 N -4.93 1.28 -2.98 1.13 -0.58 -1.26 -4.22 120.64 109.08 2h44 n GLU 747 Ca 0.28 -0.42 -0.42 0.00 -0.42 0.00 0.00 57.16 56.19 2h44 n GLU 747 Cb 0.83 -1.36 -0.05 0.00 -0.57 0.00 0.00 31.44 30.28 2h44 n GLU 747 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2h44 s ASP 748 N -1.65 6.54 0.31 1.62 -1.08 -0.64 -4.94 116.67 116.83 2h44 s ASP 748 Ca 0.32 0.35 0.08 0.00 -0.52 0.00 0.00 52.55 52.79 2h44 s ASP 748 Cb 0.16 -2.39 0.87 0.00 -1.46 0.00 0.00 42.92 40.11 2h44 s ASP 748 CO 0.26 -0.70 1.70 1.55 0.52 0.00 0.00 175.17 178.50 2h44 h PRO 749 N 8.44 0.42 -0.51 4.34 0.13 -1.87 0.34 132.00 143.28 2h44 h PRO 749 Ca -0.25 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 2h44 h PRO 749 Cb 1.10 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 2h44 h PRO 749 CO 0.90 0.28 0.13 1.25 -0.23 0.00 0.00 178.00 180.32 2h44 h HIS 750 N 0.44 0.86 -0.00 1.56 -0.00 -1.94 -1.48 115.15 114.58 2h44 h HIS 750 Ca 0.63 -0.10 -0.14 0.00 -0.00 0.00 0.00 60.37 60.76 2h44 h HIS 750 Cb 1.27 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 28.42 2h44 h HIS 750 CO -0.07 0.76 -0.65 1.96 -0.00 0.00 0.00 177.93 179.93 2h44 h GLN 751 N 0.71 0.02 -0.31 5.26 4.20 -1.34 -2.11 115.11 121.53 2h44 h GLN 751 Ca 0.16 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 2h44 h GLN 751 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2h44 h GLN 751 CO 0.00 0.66 0.05 -0.22 -0.67 0.00 0.00 178.83 178.66 2h44 h LYS 752 N 0.01 0.51 -0.65 1.46 1.63 -0.14 -1.15 116.57 118.23 2h44 h LYS 752 Ca -0.01 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 2h44 h LYS 752 Cb 1.15 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.68 2h44 h LYS 752 CO 0.09 0.60 0.43 1.49 -3.45 0.00 0.00 179.45 178.61 2h44 h GLU 753 N 0.34 0.85 -0.62 1.90 4.81 -1.14 -1.43 114.58 119.28 2h44 h GLU 753 Ca 0.09 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2h44 h GLU 753 Cb 0.34 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2h44 h GLU 753 CO 0.01 0.56 0.37 1.25 -0.73 0.00 0.00 179.01 180.47 2h44 h LEU 754 N 0.88 0.75 -0.57 1.64 5.85 -1.17 -1.86 115.31 120.83 2h44 h LEU 754 Ca 0.24 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2h44 h LEU 754 Cb -0.09 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 2h44 h LEU 754 CO -0.06 0.59 0.18 0.15 -0.34 0.00 0.00 178.44 178.96 2h44 h PHE 755 N 0.84 0.91 -0.70 1.25 3.57 -0.77 -1.29 116.94 120.76 2h44 h PHE 755 Ca 0.22 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2h44 h PHE 755 Cb -0.02 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 2h44 h PHE 755 CO -0.02 0.76 0.35 -0.07 -2.23 0.00 0.00 178.31 177.10 2h44 h LEU 756 N 0.80 0.89 -0.50 0.59 3.38 -1.04 0.18 115.31 119.60 2h44 h LEU 756 Ca 0.18 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2h44 h LEU 756 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2h44 h LEU 756 CO -0.01 0.74 0.01 0.00 0.09 0.00 0.00 178.44 179.28 2h44 h ALA 757 N 1.40 0.67 -0.50 1.53 0.00 -0.97 -1.20 119.26 120.18 2h44 h ALA 757 Ca 0.24 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2h44 h ALA 757 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2h44 h ALA 757 CO -0.03 0.47 -0.06 0.52 0.00 0.00 0.00 179.25 180.15 2h44 h MET 758 N 0.74 0.88 -0.62 0.00 2.86 -0.55 -2.37 114.93 115.86 2h44 h MET 758 Ca 0.14 -0.28 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 2h44 h MET 758 Cb 0.50 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2h44 h MET 758 CO 0.02 0.91 0.03 1.25 1.06 0.00 0.00 176.91 180.18 2h44 h LEU 759 N 0.80 1.05 -0.28 1.22 5.85 -0.51 -0.57 115.31 122.88 2h44 h LEU 759 Ca 0.14 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.58 2h44 h LEU 759 Cb 0.56 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2h44 h LEU 759 CO 0.03 1.09 0.16 0.24 -0.34 0.00 0.00 178.44 179.62 2h44 h MET 760 N 0.99 0.33 -0.62 1.25 2.86 -0.94 -1.18 114.93 117.61 2h44 h MET 760 Ca 0.18 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2h44 h MET 760 Cb 0.53 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 2h44 h MET 760 CO 0.03 0.22 0.32 1.15 1.06 0.00 0.00 176.91 179.68 2h44 h THR 761 N 0.34 1.21 -0.84 2.22 2.02 -1.19 0.77 112.91 117.44 2h44 h THR 761 Ca 0.11 -0.56 0.07 0.00 0.77 0.00 0.00 66.41 66.80 2h44 h THR 761 Cb -0.00 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 66.78 2h44 h THR 761 CO -0.05 0.23 0.51 0.00 0.37 0.00 0.00 175.52 176.58 2h44 h ALA 762 N 1.14 1.17 -0.16 6.16 0.00 -0.65 -0.30 119.26 126.62 2h44 h ALA 762 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 2h44 h ALA 762 Cb 0.08 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.68 2h44 h ALA 762 CO -0.03 0.22 -0.75 0.00 0.00 0.00 0.00 179.25 178.69 2h44 h ASP 764 N 0.53 1.11 0.08 0.00 3.58 -0.32 -2.72 116.42 118.68 2h44 h ASP 764 Ca -0.05 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2h44 h ASP 764 Cb 1.38 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2h44 h ASP 764 CO 0.16 0.82 -0.12 0.18 -2.88 0.00 0.00 179.24 177.39 2h44 n LEU 765 N -4.38 1.47 0.25 2.28 4.77 -0.17 -4.53 117.00 116.68 2h44 n LEU 765 Ca 0.11 -0.46 0.13 0.00 -0.03 0.00 0.00 56.01 55.76 2h44 n LEU 765 Cb 0.02 -0.05 0.68 0.00 -2.33 0.00 0.00 43.42 41.75 2h44 n LEU 765 CO 0.37 0.25 0.98 0.77 -1.33 0.00 0.00 177.39 178.43 2h44 h SER 766 N 2.12 0.00 -0.22 -1.43 4.64 -1.09 -1.21 113.55 116.35 2h44 h SER 766 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2h44 h SER 766 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2h44 h SER 766 CO 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 176.83 176.12 2h44 h ALA 767 N 1.49 2.09 0.00 5.18 0.00 -1.82 -0.45 119.26 125.74 2h44 h ALA 767 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2h44 h ALA 767 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2h44 h ALA 767 CO 0.00 -0.14 0.00 1.51 0.00 0.00 0.00 179.25 180.62 2h44 n ILE 768 N -4.49 1.03 0.82 0.00 0.13 -0.46 -2.83 119.36 113.57 2h44 n ILE 768 Ca 0.02 0.30 0.10 0.00 -1.10 0.00 0.00 62.75 62.06 2h44 n ILE 768 Cb 0.24 -1.16 0.05 0.00 -0.84 0.00 0.00 39.64 37.92 2h44 n ILE 768 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2h44 n THR 769 N -1.83 0.00 -1.27 9.51 -2.24 -0.18 -4.42 114.28 113.85 2h44 n THR 769 Ca 0.02 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 61.08 2h44 n THR 769 Cb 0.17 1.33 0.10 0.00 -2.10 0.00 0.00 70.33 69.83 2h44 n THR 769 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2h44 s LYS 770 N -1.85 2.07 0.33 -0.78 -0.14 -1.13 -4.15 119.74 114.09 2h44 s LYS 770 Ca 0.20 1.07 -0.27 0.00 -1.36 0.00 0.00 55.97 55.61 2h44 s LYS 770 Cb 0.16 -1.88 -0.13 0.00 -1.68 0.00 0.00 37.83 34.30 2h44 s LYS 770 CO 0.34 -1.75 1.12 -2.30 -0.76 0.00 0.00 175.35 172.00 2h44 n PRO 771 N -3.58 1.65 -0.31 -1.68 -0.02 -1.26 -4.31 135.00 125.49 2h44 n PRO 771 Ca 0.08 0.58 -0.02 0.00 -2.02 0.00 0.00 63.50 62.13 2h44 n PRO 771 Cb 0.54 -2.07 0.02 0.00 -0.02 0.00 0.00 33.50 31.97 2h44 n PRO 771 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2h44 n TRP 772 N 0.13 -0.03 -0.32 6.00 -0.00 -1.26 -1.20 117.44 120.76 2h44 n TRP 772 Ca 0.08 0.98 0.02 0.00 -0.00 0.00 0.00 57.50 58.58 2h44 n TRP 772 Cb 0.35 -0.77 0.21 0.00 -0.00 0.00 0.00 31.31 31.10 2h44 n TRP 772 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2h44 h PRO 773 N 0.00 1.08 -0.14 5.87 0.13 -2.00 0.28 132.00 137.23 2h44 h PRO 773 Ca 0.26 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 65.27 2h44 h PRO 773 Cb 0.45 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.34 2h44 h PRO 773 CO -0.78 0.72 -0.13 0.82 -0.23 0.00 0.00 178.00 178.40 2h44 h ILE 774 N 1.11 1.34 -0.34 -3.56 2.04 -1.48 -2.51 117.51 114.12 2h44 h ILE 774 Ca 0.39 -1.26 0.07 0.00 1.00 0.00 0.00 64.86 65.05 2h44 h ILE 774 Cb 0.11 1.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 2h44 h ILE 774 CO -0.13 0.37 -0.10 -0.61 0.00 0.00 0.00 178.15 177.67 2h44 h GLN 775 N -0.03 -0.03 -0.43 2.37 5.75 -0.58 -1.62 115.11 120.54 2h44 h GLN 775 Ca 0.02 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.45 2h44 h GLN 775 Cb 0.64 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 2h44 h GLN 775 CO 0.03 -0.02 -0.06 0.37 -2.65 0.00 0.00 178.83 176.50 2h44 h GLN 776 N -0.03 0.74 -0.54 1.69 4.15 -0.45 0.19 115.11 120.87 2h44 h GLN 776 Ca 0.17 -0.22 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 2h44 h GLN 776 Cb 0.28 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2h44 h GLN 776 CO -0.36 0.80 0.20 -0.09 -1.93 0.00 0.00 178.83 177.44 2h44 h ARG 777 N 0.68 0.82 -0.41 1.69 2.43 -0.99 -1.32 114.38 117.28 2h44 h ARG 777 Ca 0.13 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 2h44 h ARG 777 Cb 0.51 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2h44 h ARG 777 CO 0.03 0.73 -0.18 0.82 -1.51 0.00 0.00 179.97 179.86 2h44 h ILE 778 N 0.74 1.27 -0.22 1.20 2.04 -1.00 -2.69 117.51 118.85 2h44 h ILE 778 Ca 0.18 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.71 2h44 h ILE 778 Cb 0.23 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2h44 h ILE 778 CO -0.01 0.43 -0.09 0.00 0.00 0.00 0.00 178.15 178.48 2h44 h ALA 779 N 1.09 1.45 -0.35 1.87 0.00 -0.63 -1.66 119.26 121.04 2h44 h ALA 779 Ca 0.11 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2h44 h ALA 779 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2h44 h ALA 779 CO 0.05 0.39 -0.16 0.93 0.00 0.00 0.00 179.25 180.45 2h44 h GLU 780 N 0.33 0.63 -0.35 0.00 5.08 -0.93 -1.29 114.58 118.04 2h44 h GLU 780 Ca 0.07 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2h44 h GLU 780 Cb 0.36 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2h44 h GLU 780 CO 0.02 0.77 0.03 -0.07 -1.00 0.00 0.00 179.01 178.75 2h44 h LEU 781 N 0.57 0.59 -0.32 1.33 3.38 -1.09 -0.56 115.31 119.21 2h44 h LEU 781 Ca 0.09 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2h44 h LEU 781 Cb 0.60 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2h44 h LEU 781 CO 0.04 0.73 0.21 0.58 0.09 0.00 0.00 178.44 180.09 2h44 h VAL 782 N 0.43 1.09 -0.39 1.22 2.07 -1.08 -1.29 116.25 118.29 2h44 h VAL 782 Ca 0.10 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2h44 h VAL 782 Cb 0.41 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2h44 h VAL 782 CO 0.01 0.08 0.25 0.00 0.02 0.00 0.00 177.57 177.94 2h44 h ALA 783 N 1.11 0.50 -0.51 1.67 0.00 -1.14 -0.74 119.26 120.16 2h44 h ALA 783 Ca 0.12 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2h44 h ALA 783 Cb -0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 2h44 h ALA 783 CO -0.02 -0.02 0.19 1.15 0.00 0.00 0.00 179.25 180.54 2h44 h THR 784 N 0.52 0.83 -0.70 0.00 2.02 -0.80 0.13 112.91 114.91 2h44 h THR 784 Ca 0.14 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2h44 h THR 784 Cb -0.03 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 2h44 h THR 784 CO -0.03 0.07 0.31 -0.08 0.37 0.00 0.00 175.52 176.15 2h44 h GLU 785 N 0.37 1.03 -0.51 6.66 4.81 -0.83 -0.10 114.58 126.01 2h44 h GLU 785 Ca 0.25 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2h44 h GLU 785 Cb 0.26 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2h44 h GLU 785 CO -0.25 0.84 0.21 0.74 -0.73 0.00 0.00 179.01 179.82 2h44 h PHE 786 N 0.99 0.78 -0.31 0.92 0.05 -0.33 -1.19 116.94 117.86 2h44 h PHE 786 Ca 0.24 -0.06 -0.09 0.00 3.82 0.00 0.00 57.97 61.88 2h44 h PHE 786 Cb 0.17 -0.23 -0.02 0.00 2.00 0.00 0.00 35.95 37.87 2h44 h PHE 786 CO 0.01 0.64 -0.17 0.74 -0.18 0.00 0.00 178.31 179.35 2h44 h PHE 787 N 0.69 0.62 -0.45 -0.55 0.04 -0.47 -1.21 116.94 115.61 2h44 h PHE 787 Ca 0.17 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.75 2h44 h PHE 787 Cb 0.19 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 2h44 h PHE 787 CO 0.00 0.70 -0.03 -0.44 -0.60 0.00 0.00 178.31 177.95 2h44 h ASP 788 N 0.51 0.73 -0.40 2.17 3.32 -0.71 -1.32 116.42 120.73 2h44 h ASP 788 Ca 0.08 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 2h44 h ASP 788 Cb 0.59 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2h44 h ASP 788 CO 0.04 0.81 -0.01 -0.61 -1.72 0.00 0.00 179.24 177.75 2h44 h GLN 789 N 0.70 0.71 -0.92 3.56 4.15 -0.52 -1.59 115.11 121.21 2h44 h GLN 789 Ca 0.13 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2h44 h GLN 789 Cb 0.47 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.06 2h44 h GLN 789 CO 0.02 0.81 0.59 0.78 -1.93 0.00 0.00 178.83 179.10 2h44 h GLY 790 N 0.53 1.31 1.04 2.39 0.00 -0.97 0.60 103.07 107.97 2h44 h GLY 790 Ca 0.11 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 2h44 h GLY 790 CO 0.02 0.50 0.23 -0.55 0.00 0.00 0.00 176.54 176.74 2h44 h ASP 791 N 1.25 1.04 -0.30 0.19 3.32 -1.00 -1.91 116.42 119.01 2h44 h ASP 791 Ca 0.33 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 2h44 h ASP 791 Cb -0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 2h44 h ASP 791 CO -0.07 0.97 -0.26 -0.09 -1.72 0.00 0.00 179.24 178.07 2h44 h ARG 792 N 1.05 0.71 0.00 3.56 2.43 -0.66 -2.55 114.38 118.93 2h44 h ARG 792 Ca 0.23 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2h44 h ARG 792 Cb 0.30 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2h44 h ARG 792 CO -0.01 0.98 -0.10 0.93 -1.51 0.00 0.00 179.97 180.26 2h44 h GLU 793 N 0.47 0.00 -0.25 0.20 5.08 -0.85 0.08 114.58 119.30 2h44 h GLU 793 Ca 0.05 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 2h44 h GLU 793 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2h44 h GLU 793 CO 0.07 0.10 -0.51 -0.09 -1.00 0.00 0.00 179.01 177.58 2h44 h ARG 794 N 0.00 0.78 0.10 2.33 2.43 -1.17 0.17 114.38 119.02 2h44 h ARG 794 Ca -0.00 -0.51 -0.28 0.00 -0.81 0.00 0.00 59.98 58.38 2h44 h ARG 794 Cb 0.64 0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.28 2h44 h ARG 794 CO 0.01 1.14 -1.18 0.87 -1.51 0.00 0.00 179.97 179.30 2h44 h LYS 795 N 0.53 0.49 0.00 0.20 1.57 -1.06 -1.91 116.57 116.40 2h44 h LYS 795 Ca 0.01 -0.66 -0.20 0.00 -1.87 0.00 0.00 60.65 57.93 2h44 h LYS 795 Cb 1.12 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 2h44 h LYS 795 CO 0.11 1.28 -1.22 0.93 -0.57 0.00 0.00 179.45 179.98 2h44 h GLU 796 N 0.22 0.00 -0.00 3.15 5.08 -1.03 -3.39 114.58 118.60 2h44 h GLU 796 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2h44 h GLU 796 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2h44 h GLU 796 CO 0.21 0.56 -0.08 1.28 -1.00 0.00 0.00 179.01 179.98 2h44 n LEU 797 N -3.11 0.83 -3.76 1.33 4.77 0.57 -5.02 117.00 112.62 2h44 n LEU 797 Ca -0.07 -0.77 -0.26 0.00 -0.03 0.00 0.00 56.01 54.87 2h44 n LEU 797 Cb 0.90 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.04 2h44 n LEU 797 CO 0.44 0.18 0.12 0.59 -1.33 0.00 0.00 177.39 177.39 2h44 n ASN 798 N -0.36 -4.49 -4.21 -1.43 3.02 -0.72 -4.99 115.26 102.08 2h44 n ASN 798 Ca 0.02 -0.71 -0.16 0.00 -0.03 0.00 0.00 54.58 53.70 2h44 n ASN 798 Cb 0.09 -4.32 -0.11 0.00 -0.61 0.00 0.00 39.78 34.82 2h44 n ASN 798 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2h44 s ILE 799 N -3.37 1.13 0.02 2.41 -4.36 -1.25 -5.06 121.20 110.71 2h44 s ILE 799 Ca 0.49 -1.67 -0.23 0.00 -0.26 0.00 0.00 60.65 58.98 2h44 s ILE 799 Cb -0.24 -1.43 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 2h44 s ILE 799 CO 0.79 -0.48 0.70 -1.61 0.24 0.00 0.00 174.94 174.58 2h44 s GLU 800 N -2.71 4.43 0.74 0.37 0.41 -1.26 -4.05 118.70 116.63 2h44 s GLU 800 Ca 0.07 0.93 -0.14 0.00 -0.41 0.00 0.00 54.97 55.42 2h44 s GLU 800 Cb -0.04 -3.36 0.04 0.00 -1.78 0.00 0.00 34.13 28.99 2h44 s GLU 800 CO 0.02 0.29 1.17 -1.25 -0.49 0.00 0.00 175.26 175.00 2h44 s PRO 801 N -0.03 2.16 0.82 0.39 0.04 -1.26 -4.99 135.00 132.14 2h44 s PRO 801 Ca 0.36 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 2h44 s PRO 801 Cb -0.19 -1.85 0.09 0.00 0.04 0.00 0.00 34.50 32.59 2h44 s PRO 801 CO 0.20 -1.79 1.12 -0.08 0.04 0.00 0.00 177.00 176.50 2h44 s THR 802 N -2.19 2.77 0.37 1.26 -1.32 -1.26 -4.73 115.64 110.53 2h44 s THR 802 Ca 0.71 0.26 0.13 0.00 -1.21 0.00 0.00 61.69 61.58 2h44 s THR 802 Cb -0.26 -2.56 0.35 0.00 -1.51 0.00 0.00 72.50 68.52 2h44 s THR 802 CO 0.46 -0.32 1.79 0.44 -2.21 0.00 0.00 174.62 174.79 2h44 h ASP 803 N -1.35 0.57 -0.72 8.08 5.19 -1.94 -1.07 116.42 125.18 2h44 h ASP 803 Ca -0.44 0.08 0.11 0.00 -0.62 0.00 0.00 57.03 56.17 2h44 h ASP 803 Cb 1.25 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.69 2h44 h ASP 803 CO 0.47 0.18 0.48 0.25 -3.12 0.00 0.00 179.24 177.50 2h44 h LEU 804 N 0.54 0.48 -3.28 1.55 5.85 -1.93 -1.69 115.31 116.82 2h44 h LEU 804 Ca 0.56 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.29 2h44 h LEU 804 Cb 1.19 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2h44 h LEU 804 CO -0.30 0.27 0.00 0.23 -0.34 0.00 0.00 178.44 178.30 2h44 n MET 805 N -4.49 3.59 -3.64 1.25 2.81 -0.42 -4.58 117.12 111.64 2h44 n MET 805 Ca 0.13 -2.85 -0.39 0.00 -1.81 0.00 0.00 57.70 52.77 2h44 n MET 805 Cb 0.41 -1.91 -0.11 0.00 -0.71 0.00 0.00 33.22 30.91 2h44 n MET 805 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2h44 s ASN 806 N -1.36 5.56 0.54 7.83 3.84 -0.64 -3.71 114.94 127.00 2h44 s ASN 806 Ca 0.45 -1.42 0.35 0.00 0.21 0.00 0.00 52.86 52.45 2h44 s ASN 806 Cb 0.34 -1.96 1.53 0.00 -0.55 0.00 0.00 41.25 40.60 2h44 s ASN 806 CO 0.14 -0.48 1.81 -0.09 -2.79 0.00 0.00 177.10 175.69 2h44 h ARG 807 N 8.35 0.02 0.00 0.43 2.43 -1.86 0.19 114.38 123.95 2h44 h ARG 807 Ca -0.23 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2h44 h ARG 807 Cb 1.08 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2h44 h ARG 807 CO 0.71 0.01 0.00 0.39 -1.51 0.00 0.00 179.97 179.58 2h44 n GLU 808 N -4.21 0.34 -0.65 0.20 1.02 -1.26 -2.95 120.64 113.12 2h44 n GLU 808 Ca 0.25 0.06 0.08 0.00 -0.02 0.00 0.00 57.16 57.53 2h44 n GLU 808 Cb 1.20 -1.50 0.34 0.00 -0.02 0.00 0.00 31.44 31.46 2h44 n GLU 808 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2h44 n LYS 809 N -1.29 3.92 -0.34 3.49 4.76 0.68 -4.67 118.16 124.71 2h44 n LYS 809 Ca 0.11 -2.93 0.20 0.00 -2.87 0.00 0.00 58.31 52.83 2h44 n LYS 809 Cb 0.19 -1.98 0.44 0.00 -1.84 0.00 0.00 35.03 31.84 2h44 n LYS 809 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2h44 h LYS 810 N 3.38 0.47 -0.18 1.97 1.57 -1.67 -0.32 116.57 121.80 2h44 h LYS 810 Ca 0.00 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2h44 h LYS 810 Cb 1.60 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 2h44 h LYS 810 CO 0.31 0.31 0.19 -2.95 -0.57 0.00 0.00 179.45 176.74 2h44 h ASN 811 N 0.49 0.00 0.30 0.86 -1.07 -1.89 -1.39 115.58 112.88 2h44 h ASN 811 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.02 2h44 h ASN 811 Cb 1.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.65 2h44 h ASN 811 CO -0.45 0.00 -0.10 0.29 0.07 0.00 0.00 177.43 177.23 2h44 n LYS 812 N -3.89 0.79 -0.11 4.14 5.02 -0.13 -4.43 118.16 119.55 2h44 n LYS 812 Ca 0.01 -0.29 -0.06 0.00 -2.02 0.00 0.00 58.31 55.95 2h44 n LYS 812 Cb 0.31 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.82 2h44 n LYS 812 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2h44 h ILE 813 N 0.70 0.33 -0.84 -0.18 2.04 -1.37 -1.67 117.51 116.52 2h44 h ILE 813 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 2h44 h ILE 813 Cb 0.35 0.33 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 2h44 h ILE 813 CO 0.00 0.00 0.47 1.55 0.00 0.00 0.00 178.15 180.17 2h44 h PRO 814 N -0.19 0.73 -0.13 2.37 0.13 -1.82 0.25 132.00 133.33 2h44 h PRO 814 Ca 0.19 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.19 2h44 h PRO 814 Cb 0.49 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 2h44 h PRO 814 CO -0.51 0.48 -0.27 0.66 -0.23 0.00 0.00 178.00 178.14 2h44 h SER 815 N 0.75 0.24 -0.28 1.44 4.64 -1.69 -1.18 113.55 117.47 2h44 h SER 815 Ca 0.42 -0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.48 2h44 h SER 815 Cb 0.44 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2h44 h SER 815 CO -0.28 0.51 -0.52 0.24 -0.87 0.00 0.00 176.83 175.91 2h44 h MET 816 N 0.22 0.87 -0.66 4.77 2.86 -0.22 -1.82 114.93 120.94 2h44 h MET 816 Ca 0.03 -0.54 -0.07 0.00 -2.06 0.00 0.00 59.70 57.06 2h44 h MET 816 Cb 0.60 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 2h44 h MET 816 CO 0.04 1.18 0.13 1.96 1.06 0.00 0.00 176.91 181.28 2h44 h GLN 817 N 0.68 1.08 -0.32 1.72 1.08 -0.21 -1.17 115.11 117.97 2h44 h GLN 817 Ca 0.02 -0.28 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 2h44 h GLN 817 Cb 1.13 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 2h44 h GLN 817 CO 0.12 0.98 0.11 0.28 -0.95 0.00 0.00 178.83 179.36 2h44 h VAL 818 N 1.00 1.20 -0.87 -0.54 2.07 -1.15 -1.02 116.25 116.95 2h44 h VAL 818 Ca 0.20 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2h44 h VAL 818 Cb 0.41 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2h44 h VAL 818 CO 0.01 0.22 0.51 1.23 0.02 0.00 0.00 177.57 179.56 2h44 h GLY 819 N 0.37 1.27 0.81 2.17 0.00 -1.14 -1.08 103.07 105.47 2h44 h GLY 819 Ca 0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 2h44 h GLY 819 CO -0.00 0.52 -0.01 -2.75 0.00 0.00 0.00 176.54 174.30 2h44 h PHE 820 N 1.21 0.38 -0.38 5.60 3.57 -0.98 -1.44 116.94 124.90 2h44 h PHE 820 Ca 0.31 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.76 2h44 h PHE 820 Cb -0.03 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 2h44 h PHE 820 CO 0.01 0.56 0.22 0.82 -2.23 0.00 0.00 178.31 177.69 2h44 h ILE 821 N 0.10 1.03 -0.40 1.41 2.04 -0.89 0.14 117.51 120.94 2h44 h ILE 821 Ca 0.05 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 2h44 h ILE 821 Cb 0.42 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2h44 h ILE 821 CO 0.01 0.08 0.11 0.44 0.00 0.00 0.00 178.15 178.79 2h44 h ASP 822 N 0.45 0.60 0.50 1.72 3.32 -1.16 -1.18 116.42 120.67 2h44 h ASP 822 Ca 0.15 -0.22 -0.18 0.00 0.02 0.00 0.00 57.03 56.80 2h44 h ASP 822 Cb 0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2h44 h ASP 822 CO -0.08 0.66 -0.77 0.00 -1.72 0.00 0.00 179.24 177.34 2h44 h ALA 823 N 0.96 0.65 0.00 3.45 0.00 -1.09 -3.42 119.26 119.81 2h44 h ALA 823 Ca 0.13 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2h44 h ALA 823 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2h44 h ALA 823 CO -0.00 0.85 -1.13 -0.89 0.00 0.00 0.00 179.25 178.08 2h44 n ILE 824 N -3.74 0.13 -0.08 0.00 2.08 0.02 -4.96 119.36 112.80 2h44 n ILE 824 Ca -0.03 -0.05 -0.15 0.00 0.56 0.00 0.00 62.75 63.08 2h44 n ILE 824 Cb 0.73 -0.82 -0.10 0.00 -0.75 0.00 0.00 39.64 38.70 2h44 n ILE 824 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2h44 h LEU 826 N -1.00 0.19 -1.05 0.00 3.38 -1.49 -2.13 115.31 113.22 2h44 h LEU 826 Ca -0.16 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2h44 h LEU 826 Cb 0.99 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2h44 h LEU 826 CO -0.09 0.10 -0.22 -0.61 0.09 0.00 0.00 178.44 177.71 2h44 h GLN 827 N 0.39 0.42 -0.14 1.13 4.15 -1.83 -1.90 115.11 117.32 2h44 h GLN 827 Ca 0.33 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 2h44 h GLN 827 Cb 0.44 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 2h44 h GLN 827 CO -0.34 0.62 -0.02 1.25 -1.93 0.00 0.00 178.83 178.40 2h44 h LEU 828 N 0.38 0.26 -1.23 -2.39 5.85 -1.59 -1.63 115.31 114.96 2h44 h LEU 828 Ca 0.06 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 2h44 h LEU 828 Cb 0.60 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2h44 h LEU 828 CO 0.04 0.55 -0.29 1.88 -0.34 0.00 0.00 178.44 180.28 2h44 h TYR 829 N -0.04 0.17 -0.12 1.25 -1.99 -1.29 -0.98 116.97 113.98 2h44 h TYR 829 Ca 0.04 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 2h44 h TYR 829 Cb 0.43 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.11 2h44 h TYR 829 CO 0.05 0.44 0.01 0.93 -0.00 0.00 0.00 178.16 179.59 2h44 h GLU 830 N 0.14 0.20 -0.79 4.88 5.08 -1.27 -2.88 114.58 119.94 2h44 h GLU 830 Ca 0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2h44 h GLU 830 Cb 0.59 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2h44 h GLU 830 CO 0.04 0.41 0.45 0.00 -1.00 0.00 0.00 179.01 178.92 2h44 h ALA 831 N 0.78 1.31 -0.42 3.43 0.00 -0.93 -2.47 119.26 120.95 2h44 h ALA 831 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2h44 h ALA 831 Cb 0.31 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2h44 h ALA 831 CO 0.00 0.58 0.14 1.25 0.00 0.00 0.00 179.25 181.22 2h44 h LEU 832 N 1.10 0.55 -1.95 0.00 5.85 -1.08 -2.04 115.31 117.73 2h44 h LEU 832 Ca 0.28 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2h44 h LEU 832 Cb -0.01 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2h44 h LEU 832 CO -0.05 0.52 0.00 0.71 -0.34 0.00 0.00 178.44 179.28 2h44 h THR 833 N 0.60 0.00 0.00 1.05 1.35 -1.23 0.60 112.91 115.29 2h44 h THR 833 Ca 0.14 -0.26 -0.10 0.00 -0.55 0.00 0.00 66.41 65.64 2h44 h THR 833 Cb 0.16 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 2h44 h THR 833 CO -0.01 0.00 -0.46 0.45 -0.25 0.00 0.00 175.52 175.25 2h44 h HIS 834 N 0.00 0.00 0.09 4.73 3.86 -1.41 -2.44 115.15 119.98 2h44 h HIS 834 Ca 0.00 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.85 2h44 h HIS 834 Cb 0.28 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 2h44 h HIS 834 CO 0.00 0.46 -2.07 0.28 0.86 0.00 0.00 177.93 177.46 2h44 n VAL 835 N -3.32 1.70 -3.70 2.45 0.31 -0.66 -4.77 118.33 110.35 2h44 n VAL 835 Ca 0.01 -0.66 -0.30 0.00 -0.01 0.00 0.00 64.34 63.39 2h44 n VAL 835 Cb 0.66 -1.58 -0.14 0.00 -0.91 0.00 0.00 33.84 31.87 2h44 n VAL 835 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2h44 s SER 836 N -6.82 3.83 0.40 4.52 0.15 0.11 -5.00 113.70 110.90 2h44 s SER 836 Ca -0.23 -1.92 0.10 0.00 0.70 0.00 0.00 55.95 54.61 2h44 s SER 836 Cb 0.07 -0.85 0.90 0.00 -1.71 0.00 0.00 66.02 64.44 2h44 s SER 836 CO 0.74 -0.37 1.98 -0.33 1.20 0.00 0.00 173.24 176.46 2h44 h GLU 837 N 7.67 0.54 0.00 5.44 5.08 -1.68 -1.67 114.58 129.96 2h44 h GLU 837 Ca -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2h44 h GLU 837 Cb 0.99 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2h44 h GLU 837 CO 0.46 0.35 0.00 -0.25 -1.00 0.00 0.00 179.01 178.57 2h44 n ASP 838 N -4.48 0.00 -0.97 1.42 8.00 -1.26 -1.79 116.55 117.47 2h44 n ASP 838 Ca 0.09 -0.74 0.09 0.00 0.71 0.00 0.00 54.79 54.93 2h44 n ASP 838 Cb 0.28 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.62 2h44 n ASP 838 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h44 h PHE 840 N 3.10 0.77 -0.69 0.00 3.57 -1.54 -1.72 116.94 120.43 2h44 h PHE 840 Ca 0.00 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.70 2h44 h PHE 840 Cb 0.71 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 2h44 h PHE 840 CO 0.35 0.19 0.48 -1.35 -2.23 0.00 0.00 178.31 175.75 2h44 h PRO 841 N 0.57 0.16 -0.33 6.41 0.11 -1.87 0.74 132.00 137.79 2h44 h PRO 841 Ca 0.52 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.57 2h44 h PRO 841 Cb 1.05 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2h44 h PRO 841 CO -0.26 0.11 0.01 -0.07 -0.21 0.00 0.00 178.00 177.58 2h44 h LEU 842 N 0.17 0.57 -0.28 2.35 3.38 -1.66 -0.61 115.31 119.22 2h44 h LEU 842 Ca 0.33 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2h44 h LEU 842 Cb 1.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2h44 h LEU 842 CO -0.05 0.73 -0.05 0.25 0.09 0.00 0.00 178.44 179.40 2h44 h LEU 843 N 0.39 0.53 -0.45 1.67 5.85 -1.25 -1.76 115.31 120.28 2h44 h LEU 843 Ca 0.09 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.51 2h44 h LEU 843 Cb 0.43 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2h44 h LEU 843 CO 0.02 0.76 0.21 -0.78 -0.34 0.00 0.00 178.44 178.30 2h44 h ASP 844 N 0.29 0.28 -0.58 1.25 -0.00 -0.85 -0.88 116.42 115.94 2h44 h ASP 844 Ca 0.07 0.03 -0.08 0.00 -0.00 0.00 0.00 57.03 57.06 2h44 h ASP 844 Cb 0.52 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 39.81 2h44 h ASP 844 CO 0.02 0.20 0.06 1.23 -0.00 0.00 0.00 179.24 180.76 2h44 h GLY 845 N 0.42 1.05 0.92 -0.78 0.00 -1.05 -1.77 103.07 101.86 2h44 h GLY 845 Ca 0.20 -0.73 0.02 0.00 0.00 0.00 0.00 47.33 46.82 2h44 h GLY 845 CO -0.16 0.67 0.38 0.00 0.00 0.00 0.00 176.54 177.43 2h44 h ARG 847 N 0.75 0.10 -0.85 0.00 3.08 -0.94 -1.49 114.38 115.03 2h44 h ARG 847 Ca 0.23 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.30 2h44 h ARG 847 Cb -0.02 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 2h44 h ARG 847 CO -0.08 0.15 0.55 0.87 -1.07 0.00 0.00 179.97 180.39 2h44 h LYS 848 N 0.02 1.05 -0.14 0.04 1.57 -1.09 -2.22 116.57 115.80 2h44 h LYS 848 Ca 0.02 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 2h44 h LYS 848 Cb 0.08 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2h44 h LYS 848 CO -0.00 0.70 -0.38 -0.91 -0.57 0.00 0.00 179.45 178.28 2h44 h ASN 849 N 1.08 0.31 -0.59 0.86 2.35 -1.02 -2.37 115.58 116.21 2h44 h ASN 849 Ca 0.33 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 2h44 h ASN 849 Cb -0.03 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 2h44 h ASN 849 CO -0.10 0.67 0.19 -0.09 -1.65 0.00 0.00 177.43 176.45 2h44 h ARG 850 N 0.25 0.91 -0.59 0.81 2.43 -0.73 -0.50 114.38 116.96 2h44 h ARG 850 Ca 0.03 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2h44 h ARG 850 Cb 0.79 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 2h44 h ARG 850 CO 0.06 0.81 0.36 1.96 -1.51 0.00 0.00 179.97 181.65 2h44 h GLN 851 N 0.83 0.70 -0.31 0.20 4.20 -1.11 0.16 115.11 119.78 2h44 h GLN 851 Ca 0.19 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 2h44 h GLN 851 Cb 0.27 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2h44 h GLN 851 CO -0.01 0.47 -0.31 0.87 -0.67 0.00 0.00 178.83 179.18 2h44 h LYS 852 N 0.73 0.67 -0.35 1.46 1.57 -1.11 -0.40 116.57 119.14 2h44 h LYS 852 Ca 0.23 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 2h44 h LYS 852 Cb -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2h44 h LYS 852 CO -0.09 0.90 -0.14 -1.49 -0.57 0.00 0.00 179.45 178.06 2h44 h TRP 853 N 0.57 0.81 -0.68 -1.35 -0.00 -0.68 -2.35 115.95 112.27 2h44 h TRP 853 Ca 0.07 -0.19 -0.01 0.00 -0.00 0.00 0.00 58.89 58.75 2h44 h TRP 853 Cb 0.82 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 29.75 2h44 h TRP 853 CO 0.04 0.90 0.40 0.37 -0.00 0.00 0.00 178.44 180.14 2h44 h GLN 854 N 0.49 0.94 -0.73 0.49 5.75 -0.49 0.61 115.11 122.18 2h44 h GLN 854 Ca 0.08 -0.10 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2h44 h GLN 854 Cb 0.67 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.98 2h44 h GLN 854 CO 0.05 0.68 0.46 0.00 -2.65 0.00 0.00 178.83 177.37 2h44 h ALA 855 N 1.20 0.96 -0.25 3.38 0.00 -0.98 -1.06 119.26 122.51 2h44 h ALA 855 Ca 0.24 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2h44 h ALA 855 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2h44 h ALA 855 CO -0.04 0.24 -0.25 -0.07 0.00 0.00 0.00 179.25 179.13 2h44 h LEU 856 N 0.89 0.47 -0.86 0.00 3.38 -0.81 -1.70 115.31 116.67 2h44 h LEU 856 Ca 0.29 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2h44 h LEU 856 Cb 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2h44 h LEU 856 CO -0.11 0.71 0.23 0.00 0.09 0.00 0.00 178.44 179.35 2h44 h ALA 857 N 1.33 1.08 0.00 1.53 0.00 0.11 0.18 119.26 123.49 2h44 h ALA 857 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2h44 h ALA 857 Cb 0.65 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2h44 h ALA 857 CO 0.05 0.63 0.00 0.39 0.00 0.00 0.00 179.25 180.32 2h44 n GLU 858 N -4.27 0.20 -2.20 0.00 1.02 -0.50 -4.92 120.64 109.98 2h44 n GLU 858 Ca 0.06 0.04 -0.04 0.00 -0.02 0.00 0.00 57.16 57.20 2h44 n GLU 858 Cb 0.22 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 2h44 n GLU 858 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2h44 n GLN 859 N -1.39 -2.94 0.00 3.49 6.02 0.62 -5.09 117.38 118.10 2h44 n GLN 859 Ca 0.10 2.39 0.00 0.00 -0.01 0.00 0.00 57.00 59.48 2h44 n GLN 859 Cb 0.26 -3.61 0.00 0.00 1.02 0.00 0.00 30.24 27.91 2h44 n GLN 859 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09