#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrv n ARG 627 N 0.00 -0.18 -4.16 1.64 1.74 -1.26 -5.02 116.66 109.41 2qrv n ARG 627 Ca 0.00 -0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.78 2qrv n ARG 627 Cb 0.00 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 29.84 2qrv n ARG 627 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2qrv s LYS 628 N -3.05 2.24 0.56 5.56 0.00 -1.26 -4.33 119.74 119.46 2qrv s LYS 628 Ca 0.51 -2.05 -0.19 0.00 0.00 0.00 0.00 55.97 54.24 2qrv s LYS 628 Cb -0.20 -1.94 -0.05 0.00 0.00 0.00 0.00 37.83 35.64 2qrv s LYS 628 CO 0.73 -0.40 1.17 -2.14 0.00 0.00 0.00 175.35 174.71 2qrv s PRO 629 N -4.07 3.20 0.23 1.78 0.02 -1.26 0.63 135.00 135.52 2qrv s PRO 629 Ca 0.29 1.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.75 2qrv s PRO 629 Cb 0.00 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 2qrv s PRO 629 CO 0.17 -1.00 0.95 -1.50 -0.33 0.00 0.00 177.00 175.28 2qrv s ILE 630 N -1.66 4.09 -0.27 2.83 2.07 -0.17 -4.54 121.20 123.54 2qrv s ILE 630 Ca 0.74 2.08 -0.02 0.00 -1.41 0.00 0.00 60.65 62.04 2qrv s ILE 630 Cb -0.28 -4.32 0.04 0.00 0.13 0.00 0.00 42.46 38.03 2qrv s ILE 630 CO 0.31 0.48 -0.04 -0.13 -1.91 0.00 0.00 174.94 173.65 2qrv s ARG 631 N -1.11 2.65 0.17 3.50 0.52 -1.26 0.37 118.95 123.79 2qrv s ARG 631 Ca 0.41 -1.11 0.08 0.00 -0.52 0.00 0.00 55.73 54.60 2qrv s ARG 631 Cb -0.26 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 2qrv s ARG 631 CO 0.32 -0.50 -0.08 0.08 0.02 0.00 0.00 175.30 175.15 2qrv s VAL 632 N 1.29 3.33 -0.23 3.52 1.01 -0.26 -0.17 120.40 128.89 2qrv s VAL 632 Ca -0.02 -1.54 -0.00 0.00 0.00 0.00 0.00 61.98 60.41 2qrv s VAL 632 Cb -0.18 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.62 2qrv s VAL 632 CO -0.03 -0.07 -0.02 -0.22 0.00 0.00 0.00 175.10 174.76 2qrv s LEU 633 N -2.75 2.12 -0.26 3.92 2.96 -0.43 -1.68 118.68 122.56 2qrv s LEU 633 Ca 0.25 -1.09 -0.09 0.00 -0.22 0.00 0.00 54.13 52.98 2qrv s LEU 633 Cb -0.09 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 2qrv s LEU 633 CO 0.16 -0.27 0.13 -0.55 -1.32 0.00 0.00 176.35 174.50 2qrv s SER 634 N 1.55 5.65 -0.19 3.68 0.15 0.17 -1.69 113.70 123.03 2qrv s SER 634 Ca -0.03 -0.07 -0.05 0.00 0.70 0.00 0.00 55.95 56.49 2qrv s SER 634 Cb -0.18 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.07 2qrv s SER 634 CO -0.08 -0.02 0.01 -0.76 1.20 0.00 0.00 173.24 173.60 2qrv s LEU 635 N 1.53 3.40 -0.83 3.45 1.43 -0.50 -0.26 118.68 126.90 2qrv s LEU 635 Ca 0.06 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2qrv s LEU 635 Cb -0.15 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2qrv s LEU 635 CO 0.07 0.11 0.72 0.49 0.23 0.00 0.00 176.35 177.96 2qrv n PHE 636 N 3.97 -1.70 -0.16 0.29 3.01 -0.15 -3.22 117.46 119.51 2qrv n PHE 636 Ca -0.17 0.63 0.29 0.00 1.01 0.00 0.00 57.45 59.21 2qrv n PHE 636 Cb 0.52 -3.68 0.72 0.00 -0.01 0.00 0.00 39.48 37.03 2qrv n PHE 636 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2qrv h ASP 637 N -1.56 0.00 0.00 4.37 3.58 -1.72 -3.42 116.42 117.67 2qrv h ASP 637 Ca -0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2qrv h ASP 637 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2qrv h ASP 637 CO 0.34 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.31 2qrv n GLY 638 N -1.68 3.88 2.29 -0.78 0.00 -1.26 -2.43 105.19 105.21 2qrv n GLY 638 Ca 0.18 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2qrv n GLY 638 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qrv n ILE 639 N 0.00 3.48 -2.64 -0.61 -5.35 -1.26 -4.32 119.36 108.65 2qrv n ILE 639 Ca 0.00 -2.58 -0.22 0.00 -0.27 0.00 0.00 62.75 59.69 2qrv n ILE 639 Cb 0.00 -0.91 0.01 0.00 -1.74 0.00 0.00 39.64 37.00 2qrv n ILE 639 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qrv n ALA 640 N -1.00 -0.76 -0.27 -1.28 0.00 -1.02 -4.67 120.51 111.51 2qrv n ALA 640 Ca 0.62 0.22 0.04 0.00 0.00 0.00 0.00 53.44 54.31 2qrv n ALA 640 Cb 1.03 -2.87 0.26 0.00 0.00 0.00 0.00 19.45 17.86 2qrv n ALA 640 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qrv h THR 641 N -0.55 1.08 0.12 0.00 2.02 -1.91 0.05 112.91 113.72 2qrv h THR 641 Ca -0.51 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.34 2qrv h THR 641 Cb 1.37 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2qrv h THR 641 CO 0.58 0.18 -0.18 1.23 0.37 0.00 0.00 175.52 177.70 2qrv h GLY 642 N 0.99 -0.34 1.12 2.16 0.00 -1.90 -0.75 103.07 104.35 2qrv h GLY 642 Ca 0.36 0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.81 2qrv h GLY 642 CO -0.12 -0.17 0.07 -2.00 0.00 0.00 0.00 176.54 174.32 2qrv h LEU 643 N -0.36 1.03 0.17 3.11 5.85 -1.86 0.57 115.31 123.82 2qrv h LEU 643 Ca 0.02 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.50 2qrv h LEU 643 Cb 0.37 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2qrv h LEU 643 CO -0.09 1.04 -0.46 0.25 -0.34 0.00 0.00 178.44 178.84 2qrv h LEU 644 N 0.99 -1.34 -0.91 2.25 6.46 -0.64 0.61 115.31 122.73 2qrv h LEU 644 Ca 0.19 0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 58.03 2qrv h LEU 644 Cb 0.47 0.49 -0.03 0.00 -0.73 0.00 0.00 40.66 40.87 2qrv h LEU 644 CO 0.02 -0.53 0.13 0.58 -0.62 0.00 0.00 178.44 178.01 2qrv h VAL 645 N -0.73 1.24 -0.65 1.05 2.07 -1.03 -0.74 116.25 117.47 2qrv h VAL 645 Ca 0.00 -0.90 0.10 0.00 0.82 0.00 0.00 66.70 66.72 2qrv h VAL 645 Cb 0.73 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 2qrv h VAL 645 CO -0.23 0.34 0.27 -0.07 0.02 0.00 0.00 177.57 177.90 2qrv h LEU 646 N 0.89 0.31 -0.51 2.57 3.38 -0.18 -0.56 115.31 121.20 2qrv h LEU 646 Ca 0.19 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.12 2qrv h LEU 646 Cb 0.34 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2qrv h LEU 646 CO 0.00 0.17 -0.12 0.11 0.09 0.00 0.00 178.44 178.70 2qrv h LYS 647 N 0.47 0.99 -0.84 1.13 1.57 -0.38 -2.77 116.57 116.75 2qrv h LYS 647 Ca 0.33 -0.38 0.11 0.00 -1.87 0.00 0.00 60.65 58.84 2qrv h LYS 647 Cb 0.39 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.57 2qrv h LYS 647 CO -0.30 1.05 0.47 -0.44 -0.57 0.00 0.00 179.45 179.66 2qrv h ASP 648 N 0.86 0.64 0.00 0.86 5.19 0.35 0.17 116.42 124.49 2qrv h ASP 648 Ca 0.13 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 2qrv h ASP 648 Cb 0.69 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.14 2qrv h ASP 648 CO 0.05 0.34 0.00 0.18 -3.12 0.00 0.00 179.24 176.69 2qrv n LEU 649 N -4.77 0.00 -2.63 1.55 4.77 -0.55 -4.88 117.00 110.48 2qrv n LEU 649 Ca 0.15 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.98 2qrv n LEU 649 Cb 0.33 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.47 2qrv n LEU 649 CO 0.25 0.00 0.15 0.61 -1.33 0.00 0.00 177.39 177.07 2qrv n GLY 650 N 0.54 -0.08 3.48 -0.72 0.00 0.60 -4.93 105.19 104.08 2qrv n GLY 650 Ca 0.17 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2qrv n GLY 650 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qrv s ILE 651 N -3.23 4.43 0.30 -0.61 1.01 -1.05 -1.44 121.20 120.62 2qrv s ILE 651 Ca 0.30 -0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 2qrv s ILE 651 Cb -0.13 -3.06 -0.11 0.00 0.01 0.00 0.00 42.46 39.16 2qrv s ILE 651 CO 0.50 0.35 1.54 -1.10 0.00 0.00 0.00 174.94 176.23 2qrv s GLN 652 N 1.44 4.15 -0.29 2.79 -0.21 0.23 -4.56 119.66 123.21 2qrv s GLN 652 Ca 0.06 2.53 -0.02 0.00 0.02 0.00 0.00 55.36 57.95 2qrv s GLN 652 Cb -0.15 -3.03 0.04 0.00 1.00 0.00 0.00 33.01 30.88 2qrv s GLN 652 CO 0.04 -0.57 -0.02 0.08 -2.12 0.00 0.00 175.29 172.70 2qrv s VAL 653 N -0.25 2.95 0.08 1.09 1.01 -1.26 -1.00 120.40 123.02 2qrv s VAL 653 Ca 0.60 -1.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 2qrv s VAL 653 Cb -0.46 -2.65 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 2qrv s VAL 653 CO 0.50 -0.02 1.47 -0.78 0.00 0.00 0.00 175.10 176.26 2qrv h ASP 654 N 8.00 0.46 -5.00 3.32 1.82 -0.32 -3.46 116.42 121.23 2qrv h ASP 654 Ca -0.24 -0.37 -0.07 0.00 -0.39 0.00 0.00 57.03 55.95 2qrv h ASP 654 Cb 1.07 -0.13 -0.19 0.00 0.68 0.00 0.00 39.33 40.77 2qrv h ASP 654 CO 0.54 0.72 0.05 0.00 -1.61 0.00 0.00 179.24 178.95 2qrv s ARG 655 N -4.74 0.96 -0.33 0.28 1.70 -1.21 -5.03 118.95 110.59 2qrv s ARG 655 Ca -0.14 0.06 -0.01 0.00 -0.47 0.00 0.00 55.73 55.17 2qrv s ARG 655 Cb 0.07 0.45 0.11 0.00 -0.57 0.00 0.00 34.95 35.00 2qrv s ARG 655 CO 0.76 -0.30 0.13 -0.47 -1.08 0.00 0.00 175.30 174.34 2qrv s TYR 656 N -1.46 1.38 -0.26 5.89 5.04 -1.26 -1.10 117.35 125.58 2qrv s TYR 656 Ca -0.11 -1.64 -0.14 0.00 -2.44 0.00 0.00 57.07 52.74 2qrv s TYR 656 Cb -0.01 -1.51 -0.04 0.00 0.35 0.00 0.00 41.96 40.75 2qrv s TYR 656 CO 0.06 -0.85 0.33 0.42 -1.34 0.00 0.00 175.55 174.17 2qrv s ILE 657 N 1.51 5.21 -0.05 3.14 1.01 -0.68 -1.74 121.20 129.60 2qrv s ILE 657 Ca 0.11 0.49 0.04 0.00 0.00 0.00 0.00 60.65 61.29 2qrv s ILE 657 Cb -0.18 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 2qrv s ILE 657 CO -0.22 0.20 -0.16 0.00 0.00 0.00 0.00 174.94 174.76 2qrv s ALA 658 N 1.85 2.57 -0.41 9.38 0.00 -0.84 0.45 121.76 134.77 2qrv s ALA 658 Ca 0.14 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 2qrv s ALA 658 Cb -0.16 -0.92 0.06 0.00 0.00 0.00 0.00 23.12 22.10 2qrv s ALA 658 CO 0.09 0.52 0.25 0.45 0.00 0.00 0.00 175.76 177.07 2qrv s SER 659 N -0.60 5.68 0.01 0.00 0.15 0.65 -1.36 113.70 118.23 2qrv s SER 659 Ca 0.09 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.42 2qrv s SER 659 Cb -0.11 -2.00 -0.01 0.00 -1.71 0.00 0.00 66.02 62.19 2qrv s SER 659 CO 0.01 -0.49 -0.02 -1.61 1.20 0.00 0.00 173.24 172.33 2qrv s GLU 660 N 1.48 0.19 -0.06 5.44 0.41 -1.15 -0.98 118.70 124.03 2qrv s GLU 660 Ca 0.02 -0.22 0.09 0.00 -0.41 0.00 0.00 54.97 54.45 2qrv s GLU 660 Cb -0.22 -0.08 -0.14 0.00 -1.78 0.00 0.00 34.13 31.91 2qrv s GLU 660 CO 0.04 0.02 0.13 1.55 -0.49 0.00 0.00 175.26 176.50 2qrv n VAL 661 N 2.62 0.34 -2.36 2.63 3.14 -1.26 -4.45 118.33 118.99 2qrv n VAL 661 Ca -0.16 -0.33 -0.43 0.00 -2.96 0.00 0.00 64.34 60.47 2qrv n VAL 661 Cb 0.58 -0.26 -0.02 0.00 -1.06 0.00 0.00 33.84 33.08 2qrv n VAL 661 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qrv h GLU 663 N 8.94 0.89 0.13 0.00 4.39 -1.98 -0.17 114.58 126.79 2qrv h GLU 663 Ca -0.28 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 2qrv h GLU 663 Cb 1.11 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2qrv h GLU 663 CO 0.99 0.59 -0.06 -0.44 -1.16 0.00 0.00 179.01 178.93 2qrv h ASP 664 N 0.92 -0.15 -0.29 1.42 3.32 -2.00 0.25 116.42 119.90 2qrv h ASP 664 Ca 0.35 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 2qrv h ASP 664 Cb 0.15 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2qrv h ASP 664 CO -0.16 -0.10 0.15 0.77 -1.72 0.00 0.00 179.24 178.18 2qrv h SER 665 N -0.19 0.37 -0.37 6.45 4.64 -1.81 -2.28 113.55 120.37 2qrv h SER 665 Ca -0.02 -0.11 0.08 0.00 -0.47 0.00 0.00 61.79 61.26 2qrv h SER 665 Cb 0.14 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.07 2qrv h SER 665 CO 0.03 0.38 -0.11 0.40 -0.87 0.00 0.00 176.83 176.66 2qrv h ILE 666 N 0.34 0.60 -0.41 0.95 2.04 -0.75 -1.03 117.51 119.24 2qrv h ILE 666 Ca 0.10 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.98 2qrv h ILE 666 Cb 0.10 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2qrv h ILE 666 CO -0.01 0.00 0.23 0.74 0.00 0.00 0.00 178.15 179.11 2qrv h THR 667 N -0.02 1.02 -0.33 -0.27 2.02 -0.28 -1.91 112.91 113.14 2qrv h THR 667 Ca 0.18 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.27 2qrv h THR 667 Cb 0.30 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.14 2qrv h THR 667 CO -0.39 0.08 -0.25 0.58 0.37 0.00 0.00 175.52 175.91 2qrv h VAL 668 N 0.46 0.35 -0.18 3.16 2.07 -0.64 0.18 116.25 121.65 2qrv h VAL 668 Ca 0.17 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.72 2qrv h VAL 668 Cb 0.04 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2qrv h VAL 668 CO -0.09 0.00 0.01 1.23 0.02 0.00 0.00 177.57 178.73 2qrv h GLY 669 N -0.22 0.18 0.29 2.17 0.00 -1.13 0.99 103.07 105.36 2qrv h GLY 669 Ca 0.17 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.55 2qrv h GLY 669 CO -0.46 -0.03 -0.27 1.98 0.00 0.00 0.00 176.54 177.77 2qrv h MET 670 N 0.07 -0.35 0.20 4.80 -1.53 -0.28 0.21 114.93 118.05 2qrv h MET 670 Ca 0.08 0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.36 2qrv h MET 670 Cb 0.10 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.23 2qrv h MET 670 CO -0.14 -0.24 -0.10 0.28 0.14 0.00 0.00 176.91 176.86 2qrv h VAL 671 N -0.37 0.89 -0.61 -5.77 2.07 -0.53 -1.33 116.25 110.60 2qrv h VAL 671 Ca 0.09 -0.58 0.11 0.00 0.82 0.00 0.00 66.70 67.14 2qrv h VAL 671 Cb 0.49 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2qrv h VAL 671 CO -0.29 0.13 0.41 0.03 0.02 0.00 0.00 177.57 177.87 2qrv h ARG 672 N -0.57 0.37 -0.17 1.57 2.47 -0.61 -2.28 114.38 115.15 2qrv h ARG 672 Ca -0.03 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 2qrv h ARG 672 Cb 0.42 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 2qrv h ARG 672 CO 0.05 0.24 -0.08 0.72 0.56 0.00 0.00 179.97 181.46 2qrv n HIS 673 N -4.47 0.59 -4.40 3.04 8.25 0.05 -5.00 115.22 113.28 2qrv n HIS 673 Ca 0.10 -1.16 -0.35 0.00 -0.26 0.00 0.00 57.72 56.05 2qrv n HIS 673 Cb 0.41 -0.30 -0.09 0.00 1.12 0.00 0.00 29.99 31.13 2qrv n HIS 673 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qrv n GLN 674 N -1.01 -0.86 0.00 -0.41 10.64 -0.56 -2.16 117.38 123.03 2qrv n GLN 674 Ca 0.22 0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.50 2qrv n GLN 674 Cb 0.83 -4.00 0.00 0.00 -0.86 0.00 0.00 30.24 26.21 2qrv n GLN 674 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qrv n GLY 675 N -2.03 2.73 0.19 2.61 0.00 -0.84 -4.91 105.19 102.93 2qrv n GLY 675 Ca -0.17 -0.52 0.18 0.00 0.00 0.00 0.00 46.02 45.51 2qrv n GLY 675 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qrv n LYS 676 N 0.00 -0.04 -2.27 1.61 3.00 -0.92 -4.21 118.16 115.35 2qrv n LYS 676 Ca 0.00 0.80 -0.43 0.00 -0.00 0.00 0.00 58.31 58.68 2qrv n LYS 676 Cb 0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 35.03 33.58 2qrv n LYS 676 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2qrv s ILE 677 N -4.90 3.95 -0.53 3.15 1.01 -1.26 -4.49 121.20 118.13 2qrv s ILE 677 Ca -0.05 1.10 -0.27 0.00 0.00 0.00 0.00 60.65 61.43 2qrv s ILE 677 Cb 0.20 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.81 2qrv s ILE 677 CO 0.45 -0.29 1.07 -0.32 0.00 0.00 0.00 174.94 175.86 2qrv s MET 678 N 4.18 3.53 -0.50 2.79 -2.45 -0.71 -4.94 119.30 121.19 2qrv s MET 678 Ca 0.63 0.20 -0.23 0.00 -1.25 0.00 0.00 55.69 55.04 2qrv s MET 678 Cb -0.23 -3.98 0.04 0.00 1.25 0.00 0.00 34.83 31.91 2qrv s MET 678 CO 0.24 -1.48 0.86 0.71 1.05 0.00 0.00 175.02 176.40 2qrv s TYR 679 N 4.39 2.90 0.00 4.11 4.12 -1.26 -1.98 117.35 129.63 2qrv s TYR 679 Ca 0.40 0.04 -0.00 0.00 0.02 0.00 0.00 57.07 57.53 2qrv s TYR 679 Cb -0.09 -3.87 0.00 0.00 -1.52 0.00 0.00 41.96 36.48 2qrv s TYR 679 CO 0.26 -1.17 0.00 0.28 0.02 0.00 0.00 175.55 174.94 2qrv n VAL 680 N 6.15 0.00 0.00 0.71 0.31 -0.46 -4.98 118.33 120.06 2qrv n VAL 680 Ca 0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2qrv n VAL 680 Cb 0.48 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 2qrv n VAL 680 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qrv n GLY 681 N 3.92 1.82 3.74 2.92 0.00 -1.26 -4.27 105.19 112.06 2qrv n GLY 681 Ca 0.00 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 2qrv n GLY 681 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qrv s ASP 682 N -0.17 6.44 0.18 1.61 3.68 -1.26 -2.95 116.67 124.20 2qrv s ASP 682 Ca 0.00 2.86 -0.22 0.00 2.13 0.00 0.00 52.55 57.32 2qrv s ASP 682 Cb 0.00 -2.62 0.10 0.00 -1.45 0.00 0.00 42.92 38.94 2qrv s ASP 682 CO 0.00 -0.88 1.59 -0.37 0.13 0.00 0.00 175.17 175.64 2qrv h VAL 683 N 3.56 0.21 0.00 1.11 -1.51 -1.92 -2.08 116.25 115.61 2qrv h VAL 683 Ca -0.46 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 64.73 2qrv h VAL 683 Cb 1.21 0.21 -0.04 0.00 -2.13 0.00 0.00 31.29 30.55 2qrv h VAL 683 CO 0.84 0.00 0.76 -2.11 -1.23 0.00 0.00 177.57 175.83 2qrv n ARG 684 N -5.42 2.20 0.00 5.19 0.00 -1.26 -1.09 116.66 116.28 2qrv n ARG 684 Ca 0.03 -1.20 0.00 0.00 -0.00 0.00 0.00 57.85 56.68 2qrv n ARG 684 Cb 0.34 -2.16 0.00 0.00 -0.00 0.00 0.00 32.46 30.65 2qrv n ARG 684 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2qrv n SER 685 N 2.88 0.00 -4.70 2.89 3.41 -0.78 -5.04 113.62 112.28 2qrv n SER 685 Ca 0.47 -1.00 -0.35 0.00 -0.26 0.00 0.00 58.87 57.73 2qrv n SER 685 Cb 0.65 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.51 2qrv n SER 685 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qrv s VAL 686 N 0.00 4.86 0.22 -3.33 1.01 -0.25 -4.99 120.40 117.93 2qrv s VAL 686 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2qrv s VAL 686 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 2qrv s VAL 686 CO 0.00 0.52 -0.07 0.42 0.00 0.00 0.00 175.10 175.97 2qrv s THR 687 N -0.14 1.40 0.27 3.92 -4.23 -1.26 -4.98 115.64 110.61 2qrv s THR 687 Ca 0.07 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.44 2qrv s THR 687 Cb -0.12 -2.22 0.33 0.00 1.34 0.00 0.00 72.50 71.83 2qrv s THR 687 CO 0.01 -0.45 1.61 -0.61 -0.54 0.00 0.00 174.62 174.64 2qrv h GLN 688 N 2.49 0.08 -0.67 3.99 5.75 -1.97 1.26 115.11 126.03 2qrv h GLN 688 Ca -0.38 -0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.23 2qrv h GLN 688 Cb 1.22 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 29.67 2qrv h GLN 688 CO 0.65 0.05 0.23 0.87 -2.65 0.00 0.00 178.83 177.98 2qrv h LYS 689 N 0.08 0.38 -0.33 1.69 1.79 -1.98 -1.27 116.57 116.93 2qrv h LYS 689 Ca 0.49 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.93 2qrv h LYS 689 Cb 0.92 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.47 2qrv h LYS 689 CO -0.76 0.25 0.17 0.45 -1.08 0.00 0.00 179.45 178.48 2qrv h HIS 690 N 0.39 0.47 0.06 -1.35 3.86 0.11 -2.68 115.15 116.00 2qrv h HIS 690 Ca 0.35 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.54 2qrv h HIS 690 Cb 0.49 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2qrv h HIS 690 CO -0.19 0.39 -0.08 0.82 0.86 0.00 0.00 177.93 179.73 2qrv h ILE 691 N 0.41 0.00 0.00 2.45 5.03 0.17 1.27 117.51 126.84 2qrv h ILE 691 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.86 2qrv h ILE 691 Cb 0.09 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.88 2qrv h ILE 691 CO -0.02 0.00 0.00 0.06 -0.68 0.00 0.00 178.15 177.51 2qrv h GLN 692 N -0.14 0.00 0.02 2.37 -0.00 -1.65 0.11 115.11 115.82 2qrv h GLN 692 Ca -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.43 2qrv h GLN 692 Cb 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.60 2qrv h GLN 692 CO -0.02 0.00 -0.97 1.49 -0.00 0.00 0.00 178.83 179.32 2qrv h GLU 693 N 0.00 0.11 -0.78 0.06 4.81 -1.03 -2.91 114.58 114.84 2qrv h GLU 693 Ca 0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2qrv h GLU 693 Cb 0.22 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2qrv h GLU 693 CO 0.00 0.99 0.00 0.91 -0.73 0.00 0.00 179.01 180.18 2qrv n TRP 694 N -3.52 0.00 -0.64 0.92 5.03 0.43 -4.94 117.44 114.72 2qrv n TRP 694 Ca -0.03 -0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.53 2qrv n TRP 694 Cb 0.89 -0.08 -0.02 0.00 -1.03 0.00 0.00 31.31 31.07 2qrv n TRP 694 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2qrv n GLY 695 N 0.12 -3.15 3.76 6.99 0.00 -1.10 -4.85 105.19 106.96 2qrv n GLY 695 Ca 0.00 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 2qrv n GLY 695 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qrv s PRO 696 N -4.10 3.30 -0.07 1.61 0.04 -1.26 -4.60 135.00 129.92 2qrv s PRO 696 Ca 0.00 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 2qrv s PRO 696 Cb 0.00 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2qrv s PRO 696 CO 0.00 -0.93 -0.02 -0.06 0.04 0.00 0.00 177.00 176.03 2qrv s PHE 697 N -1.62 3.08 -0.17 0.56 0.40 -1.26 -4.88 117.98 114.09 2qrv s PHE 697 Ca 0.72 0.13 0.06 0.00 -0.60 0.00 0.00 56.93 57.25 2qrv s PHE 697 Cb -0.29 -1.75 -0.22 0.00 0.51 0.00 0.00 43.02 41.27 2qrv s PHE 697 CO 0.33 0.43 0.16 -0.25 0.70 0.00 0.00 175.22 176.58 2qrv n ASP 698 N 2.06 1.26 -4.15 1.36 10.43 0.76 -4.89 116.55 123.38 2qrv n ASP 698 Ca -0.18 0.08 -0.27 0.00 2.57 0.00 0.00 54.79 57.00 2qrv n ASP 698 Cb 0.53 -0.06 -0.16 0.00 1.84 0.00 0.00 41.12 43.27 2qrv n ASP 698 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2qrv s LEU 699 N -6.27 1.94 -0.10 0.64 2.96 -0.91 0.10 118.68 117.04 2qrv s LEU 699 Ca -0.20 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2qrv s LEU 699 Cb 0.07 -1.02 0.02 0.00 0.50 0.00 0.00 46.19 45.77 2qrv s LEU 699 CO 0.74 0.17 -0.10 -0.69 -1.32 0.00 0.00 176.35 175.15 2qrv s VAL 700 N -0.03 1.12 0.13 1.68 1.01 0.75 -1.32 120.40 123.75 2qrv s VAL 700 Ca -0.03 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.61 2qrv s VAL 700 Cb -0.11 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2qrv s VAL 700 CO 0.02 0.37 -0.13 0.27 0.00 0.00 0.00 175.10 175.64 2qrv s ILE 701 N 1.29 1.27 -0.25 2.22 -4.36 -0.68 0.05 121.20 120.75 2qrv s ILE 701 Ca -0.03 -1.81 -0.33 0.00 -0.26 0.00 0.00 60.65 58.22 2qrv s ILE 701 Cb -0.14 -1.61 0.16 0.00 1.25 0.00 0.00 42.46 42.13 2qrv s ILE 701 CO -0.04 -0.51 1.29 -0.83 0.24 0.00 0.00 174.94 175.08 2qrv s GLY 702 N -2.66 -0.12 -0.39 6.27 0.00 0.28 -1.41 107.32 109.29 2qrv s GLY 702 Ca 0.11 2.19 0.03 0.00 0.00 0.00 0.00 44.72 47.05 2qrv s GLY 702 CO 0.02 0.83 0.36 -0.32 0.00 0.00 0.00 173.10 173.99 2qrv s GLY 703 N -1.59 0.38 0.55 0.20 0.00 -1.20 -0.77 107.32 104.90 2qrv s GLY 703 Ca 0.09 -1.52 -0.22 0.00 0.00 0.00 0.00 44.72 43.07 2qrv s GLY 703 CO -0.05 2.51 1.36 -1.35 0.00 0.00 0.00 173.10 175.57 2qrv s SER 704 N 0.95 5.21 0.08 1.64 1.04 -1.26 -4.87 113.70 116.50 2qrv s SER 704 Ca 0.22 2.78 -0.36 0.00 0.48 0.00 0.00 55.95 59.07 2qrv s SER 704 Cb -0.11 -2.64 -0.18 0.00 0.10 0.00 0.00 66.02 63.19 2qrv s SER 704 CO -0.06 -1.61 1.02 -2.65 0.98 0.00 0.00 173.24 170.92 2qrv n PRO 705 N -1.07 0.36 0.05 4.02 -0.02 -1.26 -4.90 135.00 132.19 2qrv n PRO 705 Ca 0.11 0.13 0.07 0.00 -2.02 0.00 0.00 63.50 61.79 2qrv n PRO 705 Cb 0.45 -1.55 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 2qrv n PRO 705 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qrv n ASN 707 N -2.66 -0.61 -0.26 0.00 5.03 -1.26 0.30 115.26 115.80 2qrv n ASN 707 Ca -0.05 1.15 0.00 0.00 0.87 0.00 0.00 54.58 56.55 2qrv n ASN 707 Cb 0.66 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 2qrv n ASN 707 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2qrv n ASP 708 N -4.47 0.29 0.00 6.41 9.92 -1.26 -2.16 116.55 125.28 2qrv n ASP 708 Ca 0.01 -1.11 0.00 0.00 -0.53 0.00 0.00 54.79 53.16 2qrv n ASP 708 Cb 0.15 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2qrv n ASP 708 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2qrv n LEU 709 N -0.12 0.00 -4.63 0.64 4.77 0.15 -1.32 117.00 116.49 2qrv n LEU 709 Ca 0.00 -0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 2qrv n LEU 709 Cb 0.07 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2qrv n LEU 709 CO 0.00 0.00 1.57 -0.55 -1.33 0.00 0.00 177.39 177.08 2qrv s SER 710 N -1.80 6.16 0.56 -1.43 0.15 -0.83 -3.84 113.70 112.67 2qrv s SER 710 Ca 0.00 2.06 0.26 0.00 0.70 0.00 0.00 55.95 58.97 2qrv s SER 710 Cb 0.00 -2.53 1.50 0.00 -1.71 0.00 0.00 66.02 63.28 2qrv s SER 710 CO 0.00 -1.37 2.04 0.40 1.20 0.00 0.00 173.24 175.51 2qrv h ILE 711 N 6.23 0.60 -0.13 6.45 1.08 -1.42 -1.58 117.51 128.73 2qrv h ILE 711 Ca -0.41 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.03 2qrv h ILE 711 Cb 1.20 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 35.73 2qrv h ILE 711 CO 0.97 0.00 -0.02 0.58 -0.69 0.00 0.00 178.15 178.99 2qrv h VAL 712 N 0.00 1.28 -2.14 1.67 2.07 -1.89 -3.40 116.25 113.84 2qrv h VAL 712 Ca 0.16 -0.94 -0.51 0.00 0.82 0.00 0.00 66.70 66.23 2qrv h VAL 712 Cb 0.75 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 2qrv h VAL 712 CO -0.00 0.27 1.33 0.20 0.02 0.00 0.00 177.57 179.39 2qrv s ASN 713 N -5.81 5.40 0.35 0.57 0.01 -0.60 -4.85 114.94 110.02 2qrv s ASN 713 Ca -0.14 0.50 0.04 0.00 -0.71 0.00 0.00 52.86 52.55 2qrv s ASN 713 Cb 0.05 -2.53 0.68 0.00 0.41 0.00 0.00 41.25 39.87 2qrv s ASN 713 CO 0.72 -2.24 1.98 1.55 -1.51 0.00 0.00 177.10 177.59 2qrv h PRO 714 N 14.49 0.79 0.00 -0.60 0.13 -1.83 -1.09 132.00 143.89 2qrv h PRO 714 Ca -0.27 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2qrv h PRO 714 Cb 1.16 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2qrv h PRO 714 CO 1.19 0.52 0.00 0.00 -0.23 0.00 0.00 178.00 179.48 2qrv n ALA 715 N -2.44 1.76 -1.52 -0.56 0.00 -1.26 -4.86 120.51 111.63 2qrv n ALA 715 Ca 0.09 -0.06 -0.51 0.00 0.00 0.00 0.00 53.44 52.96 2qrv n ALA 715 Cb 0.14 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 2qrv n ALA 715 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qrv n ARG 716 N -1.32 0.60 -0.70 0.00 1.85 -0.41 -4.88 116.66 111.80 2qrv n ARG 716 Ca 0.06 0.21 0.08 0.00 -1.00 0.00 0.00 57.85 57.20 2qrv n ARG 716 Cb 0.11 -1.59 0.35 0.00 -1.05 0.00 0.00 32.46 30.28 2qrv n ARG 716 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2qrv n LYS 717 N 1.49 4.08 -1.00 2.89 5.02 -1.25 -5.03 118.16 124.36 2qrv n LYS 717 Ca 0.17 -3.00 0.14 0.00 -2.02 0.00 0.00 58.31 53.60 2qrv n LYS 717 Cb 0.21 -2.05 -0.03 0.00 -0.02 0.00 0.00 35.03 33.13 2qrv n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qrv n GLY 718 N 0.35 -1.83 0.31 0.72 0.00 -0.43 -3.14 105.19 101.17 2qrv n GLY 718 Ca 0.25 -1.20 0.20 0.00 0.00 0.00 0.00 46.02 45.27 2qrv n GLY 718 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qrv h LEU 719 N 0.00 0.00 0.00 0.99 5.85 -1.88 -3.19 115.31 117.08 2qrv h LEU 719 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2qrv h LEU 719 Cb 0.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2qrv h LEU 719 CO 0.01 0.00 -1.33 -1.22 -0.34 0.00 0.00 178.44 175.56 2qrv n TYR 720 N -3.10 0.00 -3.96 1.25 4.02 -1.26 -2.59 117.16 111.53 2qrv n TYR 720 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2qrv n TYR 720 Cb 0.19 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 2qrv n TYR 720 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2qrv n GLU 721 N -1.75 1.83 0.00 -0.72 -0.58 -1.19 -4.52 120.64 113.71 2qrv n GLU 721 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2qrv n GLU 721 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 2qrv n GLU 721 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qrv n GLY 722 N 4.38 2.00 0.14 0.62 0.00 -1.26 -0.93 105.19 110.14 2qrv n GLY 722 Ca 0.00 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.97 2qrv n GLY 722 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qrv h THR 723 N 0.00 0.00 -0.79 2.61 1.35 -1.94 -3.31 112.91 110.83 2qrv h THR 723 Ca 0.00 -0.73 0.14 0.00 -0.55 0.00 0.00 66.41 65.27 2qrv h THR 723 Cb 0.00 1.61 -0.14 0.00 -1.73 0.00 0.00 68.15 67.89 2qrv h THR 723 CO 0.00 0.00 -0.28 1.23 -0.25 0.00 0.00 175.52 176.22 2qrv h GLY 724 N 4.27 0.27 -0.86 5.82 0.00 -1.15 0.14 103.07 111.56 2qrv h GLY 724 Ca 0.00 0.37 0.36 0.00 0.00 0.00 0.00 47.33 48.06 2qrv h GLY 724 CO 0.00 -0.26 0.43 3.21 0.00 0.00 0.00 176.54 179.92 2qrv h ARG 725 N -0.05 0.08 -1.69 4.80 3.08 -1.15 -1.52 114.38 117.93 2qrv h ARG 725 Ca 0.34 -0.00 0.52 0.00 0.07 0.00 0.00 59.98 60.90 2qrv h ARG 725 Cb 0.59 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.52 2qrv h ARG 725 CO -0.83 0.05 1.18 -0.07 -1.07 0.00 0.00 179.97 179.23 2qrv h LEU 726 N 0.08 0.08 -0.13 3.04 3.38 -0.97 -0.07 115.31 120.73 2qrv h LEU 726 Ca 0.76 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.83 2qrv h LEU 726 Cb 1.86 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.61 2qrv h LEU 726 CO -0.76 -0.09 -0.38 0.15 0.09 0.00 0.00 178.44 177.45 2qrv h PHE 727 N 0.02 -1.08 -1.04 1.13 3.57 -1.45 -1.29 116.94 116.80 2qrv h PHE 727 Ca 0.89 0.04 0.28 0.00 3.53 0.00 0.00 57.97 62.71 2qrv h PHE 727 Cb 3.28 0.49 -0.06 0.00 2.79 0.00 0.00 35.95 42.45 2qrv h PHE 727 CO -0.00 -0.45 0.72 0.74 -2.23 0.00 0.00 178.31 177.09 2qrv h PHE 728 N -0.46 0.29 -0.97 0.41 -1.00 -1.24 1.02 116.94 114.99 2qrv h PHE 728 Ca 0.08 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.89 2qrv h PHE 728 Cb 0.60 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 40.02 2qrv h PHE 728 CO -0.45 0.03 0.64 0.93 -1.61 0.00 0.00 178.31 177.85 2qrv h GLU 729 N 0.18 1.24 -0.57 1.51 3.07 -1.33 1.30 114.58 119.98 2qrv h GLU 729 Ca 0.54 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 59.22 2qrv h GLU 729 Cb 1.76 -0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 29.37 2qrv h GLU 729 CO -0.13 0.82 -0.03 0.35 -1.40 0.00 0.00 179.01 178.62 2qrv h PHE 730 N 1.28 1.12 0.29 4.33 3.57 0.11 -0.77 116.94 126.87 2qrv h PHE 730 Ca 0.37 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2qrv h PHE 730 Cb -0.08 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.37 2qrv h PHE 730 CO -0.00 1.01 -0.14 -0.92 -2.23 0.00 0.00 178.31 176.03 2qrv h TYR 731 N 0.91 -0.36 -0.32 0.41 3.20 -0.10 0.02 116.97 120.74 2qrv h TYR 731 Ca 0.16 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.09 2qrv h TYR 731 Cb 0.58 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.89 2qrv h TYR 731 CO 0.04 -0.10 -0.35 -0.09 -1.64 0.00 0.00 178.16 176.03 2qrv h ARG 732 N -0.57 -0.30 -0.35 1.82 2.43 0.18 -0.44 114.38 117.14 2qrv h ARG 732 Ca -0.04 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2qrv h ARG 732 Cb 0.42 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 2qrv h ARG 732 CO 0.06 -0.20 0.04 -0.07 -1.51 0.00 0.00 179.97 178.29 2qrv h LEU 733 N -0.31 0.49 -0.12 3.80 -0.00 -1.10 -1.44 115.31 116.62 2qrv h LEU 733 Ca 0.14 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2qrv h LEU 733 Cb 0.55 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 2qrv h LEU 733 CO -0.49 0.53 0.08 0.25 -0.00 0.00 0.00 178.44 178.81 2qrv h LEU 734 N 0.51 0.14 -0.55 1.67 6.46 0.07 -1.56 115.31 122.06 2qrv h LEU 734 Ca 0.11 -0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.90 2qrv h LEU 734 Cb 0.27 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 2qrv h LEU 734 CO 0.00 0.12 0.29 -0.74 -0.62 0.00 0.00 178.44 177.49 2qrv h HIS 735 N 0.15 0.53 0.00 1.25 2.76 -0.75 0.29 115.15 119.38 2qrv h HIS 735 Ca 0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2qrv h HIS 735 Cb -0.00 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.80 2qrv h HIS 735 CO -0.07 0.26 0.00 -0.25 -1.30 0.00 0.00 177.93 176.58 2qrv n ASP 736 N -4.85 0.25 -0.05 3.26 8.00 -0.58 -3.59 116.55 118.99 2qrv n ASP 736 Ca 0.05 0.56 -0.06 0.00 0.71 0.00 0.00 54.79 56.06 2qrv n ASP 736 Cb 0.14 -0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 40.54 2qrv n ASP 736 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qrv n ALA 737 N -1.60 1.74 -1.78 2.24 0.00 -0.63 -4.74 120.51 115.73 2qrv n ALA 737 Ca 0.03 -0.69 -0.41 0.00 0.00 0.00 0.00 53.44 52.37 2qrv n ALA 737 Cb 0.20 0.04 -0.00 0.00 0.00 0.00 0.00 19.45 19.68 2qrv n ALA 737 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2qrv s ARG 738 N -2.26 4.09 0.25 0.00 1.70 0.01 -4.73 118.95 118.01 2qrv s ARG 738 Ca -0.06 2.60 -0.31 0.00 -0.47 0.00 0.00 55.73 57.49 2qrv s ARG 738 Cb 0.03 -2.96 -0.13 0.00 -0.57 0.00 0.00 34.95 31.31 2qrv s ARG 738 CO 0.42 -0.56 1.38 -2.30 -1.08 0.00 0.00 175.30 173.16 2qrv n PRO 739 N 0.55 2.00 -2.30 3.89 -0.02 -1.26 -4.96 135.00 132.90 2qrv n PRO 739 Ca 0.01 0.71 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 2qrv n PRO 739 Cb 0.39 -2.35 -0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2qrv n PRO 739 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2qrv s LYS 740 N -0.58 3.48 -0.16 -0.52 1.02 -1.26 -4.87 119.74 116.86 2qrv s LYS 740 Ca 0.67 1.60 -0.39 0.00 0.02 0.00 0.00 55.97 57.87 2qrv s LYS 740 Cb -0.65 -2.08 -0.16 0.00 -0.52 0.00 0.00 37.83 34.42 2qrv s LYS 740 CO 0.51 -0.74 1.61 -1.91 -0.92 0.00 0.00 175.35 173.90 2qrv n GLU 741 N -1.12 1.14 0.00 1.68 2.13 -1.26 -0.72 120.64 122.48 2qrv n GLU 741 Ca 0.11 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.34 2qrv n GLU 741 Cb 0.51 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.13 2qrv n GLU 741 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qrv n GLY 742 N 3.63 3.24 3.65 8.31 0.00 -1.26 -5.06 105.19 117.70 2qrv n GLY 742 Ca 0.24 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 2qrv n GLY 742 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qrv s ASP 743 N 0.00 6.94 0.00 1.61 2.15 0.10 -4.90 116.67 122.57 2qrv s ASP 743 Ca 0.00 1.24 0.23 0.00 0.43 0.00 0.00 52.55 54.45 2qrv s ASP 743 Cb 0.00 -2.54 0.69 0.00 -0.30 0.00 0.00 42.92 40.77 2qrv s ASP 743 CO 0.00 -0.84 1.53 0.47 -0.17 0.00 0.00 175.17 176.16 2qrv n ASP 744 N 6.81 2.12 -4.53 -0.34 8.00 -1.26 -4.69 116.55 122.66 2qrv n ASP 744 Ca 0.13 -1.75 -0.47 0.00 0.71 0.00 0.00 54.79 53.40 2qrv n ASP 744 Cb 0.46 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 2qrv n ASP 744 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2qrv n ARG 745 N 0.63 0.84 -1.99 -1.24 0.63 -1.26 -4.86 116.66 109.41 2qrv n ARG 745 Ca 0.17 0.30 -0.42 0.00 -0.92 0.00 0.00 57.85 56.98 2qrv n ARG 745 Cb 0.42 -1.59 -0.03 0.00 0.45 0.00 0.00 32.46 31.71 2qrv n ARG 745 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2qrv s PRO 746 N -1.07 4.25 -0.04 -0.14 0.02 -1.26 -4.92 135.00 131.84 2qrv s PRO 746 Ca 0.65 2.30 -0.02 0.00 0.02 0.00 0.00 61.00 63.95 2qrv s PRO 746 Cb -0.83 -3.15 0.03 0.00 0.02 0.00 0.00 34.50 30.58 2qrv s PRO 746 CO 0.57 -0.51 0.06 0.12 -0.33 0.00 0.00 177.00 176.91 2qrv s PHE 747 N 0.66 0.04 0.01 6.54 5.36 -1.26 -4.80 117.98 124.54 2qrv s PHE 747 Ca 0.65 0.26 0.09 0.00 -0.96 0.00 0.00 56.93 56.96 2qrv s PHE 747 Cb -0.42 -0.44 -0.02 0.00 -0.34 0.00 0.00 43.02 41.80 2qrv s PHE 747 CO 0.36 -0.18 -0.26 -0.06 -1.46 0.00 0.00 175.22 173.62 2qrv s PHE 748 N 2.02 2.33 0.02 10.12 0.08 0.11 -4.99 117.98 127.68 2qrv s PHE 748 Ca 0.03 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 56.61 2qrv s PHE 748 Cb -0.12 -1.46 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 2qrv s PHE 748 CO -0.03 0.03 0.06 1.67 -0.10 0.00 0.00 175.22 176.84 2qrv s TRP 749 N -0.69 0.20 -0.06 0.36 1.48 -1.26 -0.18 118.94 118.80 2qrv s TRP 749 Ca 0.11 -0.45 -0.11 0.00 -1.06 0.00 0.00 56.10 54.58 2qrv s TRP 749 Cb -0.10 -0.15 0.02 0.00 -1.16 0.00 0.00 33.47 32.08 2qrv s TRP 749 CO 0.00 -0.29 0.27 -1.17 -4.06 0.00 0.00 176.95 171.71 2qrv s LEU 750 N -1.75 0.98 -0.09 -4.66 2.96 0.11 -2.34 118.68 113.88 2qrv s LEU 750 Ca -0.11 0.30 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 2qrv s LEU 750 Cb -0.05 1.04 0.04 0.00 0.50 0.00 0.00 46.19 47.72 2qrv s LEU 750 CO -0.02 -0.26 0.21 0.12 -1.32 0.00 0.00 176.35 175.08 2qrv s PHE 751 N -0.58 -0.26 0.40 5.38 5.36 -0.24 -0.55 117.98 127.49 2qrv s PHE 751 Ca -0.07 0.65 0.07 0.00 -0.96 0.00 0.00 56.93 56.63 2qrv s PHE 751 Cb -0.04 0.01 -0.06 0.00 -0.34 0.00 0.00 43.02 42.58 2qrv s PHE 751 CO 0.02 -0.20 0.08 -2.00 -1.46 0.00 0.00 175.22 171.66 2qrv s GLU 752 N 1.09 2.08 0.00 10.12 -6.30 0.05 -1.30 118.70 124.45 2qrv s GLU 752 Ca -0.08 -1.95 0.00 0.00 -2.50 0.00 0.00 54.97 50.44 2qrv s GLU 752 Cb -0.10 -1.82 0.00 0.00 0.00 0.00 0.00 34.13 32.21 2qrv s GLU 752 CO -0.07 -0.05 0.00 -1.71 0.02 0.00 0.00 175.26 173.46 2qrv n ASN 753 N -1.07 0.00 -4.65 -1.70 5.15 -1.04 -4.21 115.26 107.73 2qrv n ASN 753 Ca -0.03 0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.49 2qrv n ASN 753 Cb 0.65 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.87 2qrv n ASN 753 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2qrv n VAL 754 N -0.23 0.76 -0.08 3.44 0.24 -1.26 -0.53 118.33 120.66 2qrv n VAL 754 Ca 0.00 -0.19 -0.07 0.00 -2.04 0.00 0.00 64.34 62.04 2qrv n VAL 754 Cb 0.00 -1.32 0.11 0.00 -1.47 0.00 0.00 33.84 31.16 2qrv n VAL 754 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2qrv h VAL 755 N 3.06 1.27 0.00 3.34 3.04 -1.88 -3.34 116.25 121.73 2qrv h VAL 755 Ca -0.45 -1.27 -0.64 0.00 -1.01 0.00 0.00 66.70 63.33 2qrv h VAL 755 Cb 1.29 1.16 0.01 0.00 -2.01 0.00 0.00 31.29 31.75 2qrv h VAL 755 CO 0.76 0.43 2.72 0.00 -1.01 0.00 0.00 177.57 180.47 2qrv n ALA 756 N -2.49 4.49 -2.35 3.17 0.00 -1.26 -4.88 120.51 117.19 2qrv n ALA 756 Ca 0.01 -3.38 -0.18 0.00 0.00 0.00 0.00 53.44 49.89 2qrv n ALA 756 Cb 0.41 -3.52 -0.10 0.00 0.00 0.00 0.00 19.45 16.23 2qrv n ALA 756 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qrv s MET 757 N 4.04 1.39 0.16 0.00 0.00 -1.25 -1.03 119.30 122.61 2qrv s MET 757 Ca 0.53 -1.72 -0.31 0.00 0.00 0.00 0.00 55.69 54.19 2qrv s MET 757 Cb 0.14 -0.64 -0.09 0.00 0.00 0.00 0.00 34.83 34.24 2qrv s MET 757 CO 0.02 -0.12 1.48 0.20 0.00 0.00 0.00 175.02 176.60 2qrv s GLY 758 N -3.34 1.84 0.53 3.16 0.00 -1.25 -4.85 107.32 103.41 2qrv s GLY 758 Ca 0.30 1.28 0.37 0.00 0.00 0.00 0.00 44.72 46.67 2qrv s GLY 758 CO 0.10 2.47 1.78 -0.39 0.00 0.00 0.00 173.10 177.06 2qrv h VAL 759 N 4.00 0.38 -0.18 1.40 -1.51 -1.98 0.24 116.25 118.60 2qrv h VAL 759 Ca -0.43 -0.01 -0.21 0.00 -1.23 0.00 0.00 66.70 64.82 2qrv h VAL 759 Cb 1.21 0.35 0.01 0.00 -2.13 0.00 0.00 31.29 30.72 2qrv h VAL 759 CO 0.87 0.01 -0.69 0.77 -1.23 0.00 0.00 177.57 177.30 2qrv h SER 760 N 0.03 0.92 -0.13 4.19 4.64 -1.99 -2.45 113.55 118.75 2qrv h SER 760 Ca 0.60 -0.60 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2qrv h SER 760 Cb 2.35 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 64.16 2qrv h SER 760 CO -0.03 1.37 -0.01 0.44 -0.87 0.00 0.00 176.83 177.72 2qrv h ASP 761 N 0.53 0.25 -0.72 4.97 5.19 -0.94 0.13 116.42 125.82 2qrv h ASP 761 Ca -0.03 -0.34 0.12 0.00 -0.62 0.00 0.00 57.03 56.16 2qrv h ASP 761 Cb 1.31 -0.07 -0.08 0.00 0.18 0.00 0.00 39.33 40.67 2qrv h ASP 761 CO 0.14 0.52 0.31 0.11 -3.12 0.00 0.00 179.24 177.21 2qrv h LYS 762 N -0.04 0.49 0.22 3.56 1.57 -1.30 0.21 116.57 121.28 2qrv h LYS 762 Ca 0.04 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2qrv h LYS 762 Cb 0.41 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2qrv h LYS 762 CO 0.01 0.32 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.01 2qrv h ARG 763 N 0.50 -0.29 -0.92 3.15 2.43 -1.09 -0.53 114.38 117.63 2qrv h ARG 763 Ca 0.38 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.75 2qrv h ARG 763 Cb 0.50 0.07 -0.17 0.00 -0.42 0.00 0.00 29.97 29.94 2qrv h ARG 763 CO -0.34 -0.19 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.25 2qrv h ASP 764 N -0.30 -0.90 -0.07 -3.80 3.32 -0.37 0.61 116.42 114.90 2qrv h ASP 764 Ca -0.03 0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.33 2qrv h ASP 764 Cb 0.23 0.58 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 2qrv h ASP 764 CO 0.05 -0.30 -0.11 0.40 -1.72 0.00 0.00 179.24 177.55 2qrv h ILE 765 N -0.00 0.70 -0.97 0.35 2.04 -0.50 0.42 117.51 119.55 2qrv h ILE 765 Ca 0.44 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.35 2qrv h ILE 765 Cb 0.67 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 2qrv h ILE 765 CO -0.95 0.00 0.62 0.28 0.00 0.00 0.00 178.15 178.10 2qrv h SER 766 N -0.16 1.01 0.18 1.72 0.02 0.14 0.86 113.55 117.33 2qrv h SER 766 Ca 0.07 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 2qrv h SER 766 Cb 0.25 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2qrv h SER 766 CO -0.17 0.66 -0.37 0.03 -1.14 0.00 0.00 176.83 175.84 2qrv h ARG 767 N 1.15 0.27 0.02 3.45 -0.00 0.13 0.23 114.38 119.63 2qrv h ARG 767 Ca 0.41 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.98 59.77 2qrv h ARG 767 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.09 2qrv h ARG 767 CO -0.16 0.61 -0.01 0.74 0.00 0.00 0.00 179.97 181.15 2qrv h PHE 768 N 0.23 -0.02 0.00 3.04 -1.00 0.75 -3.18 116.94 116.76 2qrv h PHE 768 Ca 0.02 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2qrv h PHE 768 Cb 0.77 0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.34 2qrv h PHE 768 CO 0.01 0.71 0.00 1.28 -1.61 0.00 0.00 178.31 178.71 2qrv n LEU 769 N -4.73 0.00 -3.62 1.54 4.77 0.21 -4.91 117.00 110.25 2qrv n LEU 769 Ca -0.09 0.13 -0.25 0.00 -0.03 0.00 0.00 56.01 55.77 2qrv n LEU 769 Cb 0.36 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2qrv n LEU 769 CO 0.32 -0.03 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.66 2qrv n GLU 770 N -1.13 -2.49 0.00 3.23 1.02 0.61 -4.97 120.64 116.91 2qrv n GLU 770 Ca 0.15 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 2qrv n GLU 770 Cb 0.13 -4.74 0.00 0.00 -0.02 0.00 0.00 31.44 26.81 2qrv n GLU 770 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2qrv n SER 771 N -2.90 0.00 -4.75 1.62 3.41 -0.09 -5.02 113.62 105.89 2qrv n SER 771 Ca -0.16 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.14 2qrv n SER 771 Cb 0.63 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 2qrv n SER 771 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2qrv s ASN 772 N 0.00 5.41 1.21 4.04 0.01 -1.26 -4.28 114.94 120.07 2qrv s ASN 772 Ca 0.00 -0.00 -0.15 0.00 -0.71 0.00 0.00 52.86 52.00 2qrv s ASN 772 Cb 0.00 -1.45 0.23 0.00 0.41 0.00 0.00 41.25 40.44 2qrv s ASN 772 CO 0.00 0.21 0.75 -0.81 -1.51 0.00 0.00 177.10 175.74 2qrv n PRO 773 N 0.80 -2.82 -3.39 -0.60 -0.04 -1.26 -4.72 135.00 122.97 2qrv n PRO 773 Ca -0.11 -1.21 -0.20 0.00 -0.04 0.00 0.00 63.50 61.94 2qrv n PRO 773 Cb 0.52 -1.20 -0.09 0.00 -0.04 0.00 0.00 33.50 32.69 2qrv n PRO 773 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2qrv s VAL 774 N -2.30 -0.20 0.40 0.52 1.01 0.04 -4.84 120.40 115.03 2qrv s VAL 774 Ca 0.50 -1.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 2qrv s VAL 774 Cb -0.06 -0.82 -0.10 0.00 0.00 0.00 0.00 36.38 35.40 2qrv s VAL 774 CO 0.39 -0.69 1.22 0.80 0.00 0.00 0.00 175.10 176.82 2qrv n MET 775 N 4.27 1.83 -3.61 2.72 0.00 -1.26 -2.99 117.12 118.08 2qrv n MET 775 Ca 0.10 0.65 -0.02 0.00 0.00 0.00 0.00 57.70 58.43 2qrv n MET 775 Cb 0.43 -2.30 -0.05 0.00 0.00 0.00 0.00 33.22 31.30 2qrv n MET 775 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 2qrv s ILE 776 N -1.19 -0.60 -0.18 1.12 2.07 -0.90 -4.95 121.20 116.57 2qrv s ILE 776 Ca 0.60 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.79 2qrv s ILE 776 Cb -0.53 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.02 2qrv s ILE 776 CO 0.58 0.00 0.01 -0.62 -1.91 0.00 0.00 174.94 173.01 2qrv s ASP 777 N 2.40 5.18 0.00 4.50 3.68 -1.26 -2.55 116.67 128.62 2qrv s ASP 777 Ca -0.07 -0.05 0.05 0.00 2.13 0.00 0.00 52.55 54.61 2qrv s ASP 777 Cb -0.09 -1.87 0.25 0.00 -1.45 0.00 0.00 42.92 39.76 2qrv s ASP 777 CO -0.19 0.15 0.92 0.00 0.13 0.00 0.00 175.17 176.18 2qrv n ALA 778 N 3.66 1.48 0.10 3.66 0.00 -0.97 -2.21 120.51 126.24 2qrv n ALA 778 Ca -0.17 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.28 2qrv n ALA 778 Cb 0.52 -1.08 0.43 0.00 0.00 0.00 0.00 19.45 19.33 2qrv n ALA 778 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2qrv h LYS 779 N 0.00 0.29 0.00 0.00 1.57 -1.56 0.21 116.57 117.08 2qrv h LYS 779 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2qrv h LYS 779 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2qrv h LYS 779 CO 0.00 0.32 0.00 0.39 -0.57 0.00 0.00 179.45 179.59 2qrv n GLU 780 N -4.37 0.01 -0.21 3.15 1.02 -0.94 -3.75 120.64 115.56 2qrv n GLU 780 Ca -0.00 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2qrv n GLU 780 Cb 0.19 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 2qrv n GLU 780 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2qrv n VAL 781 N -1.54 0.00 -3.50 2.62 3.14 -0.62 -4.68 118.33 113.76 2qrv n VAL 781 Ca 0.04 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.32 2qrv n VAL 781 Cb 0.21 0.64 -0.03 0.00 -1.06 0.00 0.00 33.84 33.61 2qrv n VAL 781 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2qrv s SER 782 N -0.33 -0.44 0.00 6.55 0.01 0.63 -4.79 113.70 115.33 2qrv s SER 782 Ca 0.00 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2qrv s SER 782 Cb 0.00 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2qrv s SER 782 CO 0.00 -0.66 0.51 0.00 0.41 0.00 0.00 173.24 173.50 2qrv n ALA 783 N -0.01 2.02 -2.43 1.44 0.00 -0.91 -4.29 120.51 116.33 2qrv n ALA 783 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 2qrv n ALA 783 Cb 0.61 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 2qrv n ALA 783 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qrv s ALA 784 N 0.56 0.05 -0.73 0.00 0.00 -1.26 -1.41 121.76 118.96 2qrv s ALA 784 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 2qrv s ALA 784 Cb 0.00 0.49 0.19 0.00 0.00 0.00 0.00 23.12 23.81 2qrv s ALA 784 CO 0.00 -0.49 0.66 -1.01 0.00 0.00 0.00 175.76 174.93 2qrv s HIS 785 N -3.90 3.61 -0.48 0.00 0.09 -0.44 -1.90 115.29 112.28 2qrv s HIS 785 Ca 0.08 -1.91 0.03 0.00 -0.00 0.00 0.00 55.06 53.26 2qrv s HIS 785 Cb 0.06 -3.74 0.13 0.00 -0.00 0.00 0.00 32.58 29.03 2qrv s HIS 785 CO -0.09 -0.98 0.25 1.03 -0.00 0.00 0.00 174.74 174.95 2qrv s ARG 786 N 0.49 1.61 -0.34 1.40 1.81 -1.26 -4.87 118.95 117.78 2qrv s ARG 786 Ca 0.14 -2.30 -0.25 0.00 -1.72 0.00 0.00 55.73 51.60 2qrv s ARG 786 Cb -0.16 -2.79 0.01 0.00 -0.45 0.00 0.00 34.95 31.56 2qrv s ARG 786 CO -0.06 -1.14 0.88 0.00 -0.68 0.00 0.00 175.30 174.30 2qrv s ALA 787 N 0.04 3.46 0.04 2.13 0.00 -1.26 -2.29 121.76 123.87 2qrv s ALA 787 Ca 0.17 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.73 2qrv s ALA 787 Cb -0.25 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 2qrv s ALA 787 CO -0.00 -1.45 -0.10 1.03 0.00 0.00 0.00 175.76 175.23 2qrv s ARG 788 N 3.27 0.69 0.20 0.00 1.81 -1.06 -3.43 118.95 120.42 2qrv s ARG 788 Ca 0.36 -0.68 -0.24 0.00 -1.72 0.00 0.00 55.73 53.46 2qrv s ARG 788 Cb -0.13 -0.60 -0.08 0.00 -0.45 0.00 0.00 34.95 33.69 2qrv s ARG 788 CO 0.16 0.14 0.77 0.71 -0.68 0.00 0.00 175.30 176.41 2qrv s TYR 789 N -0.96 3.81 -0.16 -0.53 2.02 0.31 -2.12 117.35 119.72 2qrv s TYR 789 Ca -0.03 1.57 -0.01 0.00 -0.37 0.00 0.00 57.07 58.23 2qrv s TYR 789 Cb -0.08 -2.74 0.05 0.00 -0.40 0.00 0.00 41.96 38.79 2qrv s TYR 789 CO 0.01 0.44 -0.01 -0.06 -1.57 0.00 0.00 175.55 174.35 2qrv s PHE 790 N -1.30 1.34 -0.09 2.71 0.40 -1.16 -2.51 117.98 117.37 2qrv s PHE 790 Ca 0.39 -0.89 -0.06 0.00 -0.60 0.00 0.00 56.93 55.77 2qrv s PHE 790 Cb -0.21 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 2qrv s PHE 790 CO 0.24 -0.57 0.16 -1.58 0.70 0.00 0.00 175.22 174.17 2qrv s TRP 791 N 1.75 3.59 0.00 0.36 0.51 -0.42 -0.78 118.94 123.96 2qrv s TRP 791 Ca 0.00 0.50 0.00 0.00 -2.12 0.00 0.00 56.10 54.48 2qrv s TRP 791 Cb -0.16 -1.92 0.00 0.00 -0.81 0.00 0.00 33.47 30.58 2qrv s TRP 791 CO -0.07 0.71 0.00 0.41 -0.51 0.00 0.00 176.95 177.49 2qrv n GLY 792 N 1.71 1.17 0.39 0.98 0.00 -1.26 -1.08 105.19 107.09 2qrv n GLY 792 Ca -0.17 -1.08 0.04 0.00 0.00 0.00 0.00 46.02 44.80 2qrv n GLY 792 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qrv n ASN 793 N 0.00 2.44 -4.76 1.61 6.94 -0.99 -5.03 115.26 115.48 2qrv n ASN 793 Ca 0.00 -1.89 -0.41 0.00 -0.02 0.00 0.00 54.58 52.26 2qrv n ASN 793 Cb 0.00 -0.13 -0.01 0.00 -2.36 0.00 0.00 39.78 37.28 2qrv n ASN 793 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qrv s LEU 794 N -0.94 4.35 0.30 -4.53 1.43 -1.26 -4.88 118.68 113.17 2qrv s LEU 794 Ca 0.14 2.89 -0.30 0.00 -1.03 0.00 0.00 54.13 55.84 2qrv s LEU 794 Cb 0.07 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.54 2qrv s LEU 794 CO 0.10 -0.81 1.55 -2.16 0.23 0.00 0.00 176.35 175.26 2qrv s PRO 795 N -1.18 4.14 -1.23 1.29 0.04 -1.26 -3.45 135.00 133.34 2qrv s PRO 795 Ca 0.57 2.54 -0.05 0.00 0.04 0.00 0.00 61.00 64.10 2qrv s PRO 795 Cb -0.45 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.07 2qrv s PRO 795 CO 0.53 -0.58 1.06 0.41 0.04 0.00 0.00 177.00 178.45 2qrv n GLY 796 N 1.83 -0.41 0.24 0.56 0.00 -1.26 -4.82 105.19 101.34 2qrv n GLY 796 Ca 0.07 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.38 2qrv n GLY 796 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qrv h MET 797 N -2.28 0.00 0.15 1.61 2.86 -1.94 -3.28 114.93 112.06 2qrv h MET 797 Ca -0.55 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 56.76 2qrv h MET 797 Cb 1.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 2qrv h MET 797 CO 0.51 0.03 -1.70 -0.91 1.06 0.00 0.00 176.91 175.90 2qrv h ASN 798 N 0.00 0.51 -1.63 1.22 2.35 -1.90 -3.47 115.58 112.65 2qrv h ASN 798 Ca -0.00 -0.77 -0.67 0.00 -0.55 0.00 0.00 56.30 54.30 2qrv h ASN 798 Cb 0.79 -0.17 0.08 0.00 0.05 0.00 0.00 38.32 39.08 2qrv h ASN 798 CO 0.00 1.66 0.05 -2.11 -1.65 0.00 0.00 177.43 175.38 2qrv n ARG 799 N -3.52 0.74 -1.36 0.81 1.85 -1.24 -4.86 116.66 109.08 2qrv n ARG 799 Ca -0.22 0.26 -0.37 0.00 -1.00 0.00 0.00 57.85 56.52 2qrv n ARG 799 Cb 1.06 -1.64 0.06 0.00 -1.05 0.00 0.00 32.46 30.89 2qrv n ARG 799 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2qrv n PRO 800 N 1.46 0.44 -1.97 2.89 -0.02 -1.26 -5.00 135.00 131.55 2qrv n PRO 800 Ca 0.16 0.19 -0.29 0.00 -2.02 0.00 0.00 63.50 61.54 2qrv n PRO 800 Cb 0.22 -1.92 0.14 0.00 -0.02 0.00 0.00 33.50 31.92 2qrv n PRO 800 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qrv s LEU 801 N -0.79 2.65 -0.08 2.45 1.02 -1.26 -5.10 118.68 117.57 2qrv s LEU 801 Ca 0.69 0.46 -0.08 0.00 0.02 0.00 0.00 54.13 55.22 2qrv s LEU 801 Cb -0.37 -2.74 0.02 0.00 0.02 0.00 0.00 46.19 43.12 2qrv s LEU 801 CO 0.55 -2.28 0.23 0.00 0.02 0.00 0.00 176.35 174.87 2qrv s ALA 802 N -3.69 -0.58 0.66 4.21 0.00 -1.26 -5.12 121.76 115.98 2qrv s ALA 802 Ca 0.68 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.16 2qrv s ALA 802 Cb -0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2qrv s ALA 802 CO 0.50 -0.12 1.04 -1.54 0.00 0.00 0.00 175.76 175.65 2qrv s SER 803 N 0.04 5.80 0.24 0.00 1.04 -1.26 -4.99 113.70 114.56 2qrv s SER 803 Ca -0.01 1.53 0.11 0.00 0.48 0.00 0.00 55.95 58.06 2qrv s SER 803 Cb -0.02 -2.48 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 2qrv s SER 803 CO 0.00 -1.16 -0.20 -0.89 0.98 0.00 0.00 173.24 171.98 2qrv s THR 804 N -3.09 2.53 0.46 2.02 2.01 -1.26 -4.99 115.64 113.31 2qrv s THR 804 Ca 0.57 -2.18 0.26 0.00 0.31 0.00 0.00 61.69 60.66 2qrv s THR 804 Cb -0.13 -2.28 0.46 0.00 0.01 0.00 0.00 72.50 70.57 2qrv s THR 804 CO 0.54 -0.26 1.79 0.58 -0.69 0.00 0.00 174.62 176.57 2qrv h VAL 805 N 2.67 0.47 -3.60 3.82 2.07 -2.05 -3.16 116.25 116.46 2qrv h VAL 805 Ca -0.43 -0.07 -0.68 0.00 0.82 0.00 0.00 66.70 66.33 2qrv h VAL 805 Cb 1.23 0.24 -0.36 0.00 -1.52 0.00 0.00 31.29 30.88 2qrv h VAL 805 CO 0.55 0.04 -0.63 0.54 0.02 0.00 0.00 177.57 178.08 2qrv s ASN 806 N -5.22 5.03 -0.34 0.57 4.22 -1.26 -4.98 114.94 112.97 2qrv s ASN 806 Ca -0.07 -1.94 -0.06 0.00 -2.14 0.00 0.00 52.86 48.64 2qrv s ASN 806 Cb 0.24 -1.74 0.19 0.00 1.28 0.00 0.00 41.25 41.22 2qrv s ASN 806 CO 0.80 -0.44 0.97 -0.62 -2.04 0.00 0.00 177.10 175.77 2qrv s ASP 807 N 1.44 -0.55 -0.46 3.54 3.68 -1.20 -5.11 116.67 118.01 2qrv s ASP 807 Ca 0.07 -0.27 -0.29 0.00 2.13 0.00 0.00 52.55 54.19 2qrv s ASP 807 Cb -0.21 0.73 -0.09 0.00 -1.45 0.00 0.00 42.92 41.89 2qrv s ASP 807 CO -0.05 -0.06 2.37 0.29 0.13 0.00 0.00 175.17 177.84 2qrv n LYS 808 N 3.87 1.13 -0.03 4.34 4.76 -1.26 -4.74 118.16 126.24 2qrv n LYS 808 Ca 0.07 0.17 -0.01 0.00 -2.87 0.00 0.00 58.31 55.67 2qrv n LYS 808 Cb 0.62 -2.98 -0.13 0.00 -1.84 0.00 0.00 35.03 30.70 2qrv n LYS 808 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qrv n LEU 809 N 13.18 0.32 -4.67 -0.35 4.32 -1.26 -2.15 117.00 126.39 2qrv n LEU 809 Ca 0.40 0.14 -0.38 0.00 -0.02 0.00 0.00 56.01 56.15 2qrv n LEU 809 Cb 0.40 0.20 -0.08 0.00 -1.62 0.00 0.00 43.42 42.33 2qrv n LEU 809 CO 0.74 0.23 0.01 -1.83 -1.22 0.00 0.00 177.39 175.32 2qrv s GLU 810 N -2.93 4.14 0.58 3.23 1.03 -1.26 -3.48 118.70 120.01 2qrv s GLU 810 Ca -0.07 0.06 0.29 0.00 0.03 0.00 0.00 54.97 55.27 2qrv s GLU 810 Cb 0.09 -3.53 1.52 0.00 -0.80 0.00 0.00 34.13 31.40 2qrv s GLU 810 CO 0.84 -0.00 1.95 1.25 -1.33 0.00 0.00 175.26 177.98 2qrv h LEU 811 N 7.58 0.00 -0.29 1.83 7.12 -1.39 0.15 115.31 130.31 2qrv h LEU 811 Ca -0.37 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.51 2qrv h LEU 811 Cb 1.16 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.29 2qrv h LEU 811 CO 0.70 0.00 -0.32 -0.61 -0.13 0.00 0.00 178.44 178.08 2qrv h GLN 812 N 0.00 0.73 -0.18 1.25 5.75 -1.84 -2.97 115.11 117.86 2qrv h GLN 812 Ca 0.19 -0.40 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 2qrv h GLN 812 Cb 1.00 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.57 2qrv h GLN 812 CO -0.00 1.02 0.00 0.39 -2.65 0.00 0.00 178.83 177.59 2qrv n GLU 813 N -4.23 0.43 -0.01 1.69 4.71 0.52 -1.77 120.64 122.00 2qrv n GLU 813 Ca -0.04 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.11 2qrv n GLU 813 Cb 0.49 -1.09 -0.01 0.00 -1.01 0.00 0.00 31.44 29.82 2qrv n GLU 813 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qrv s LEU 815 N -3.75 3.22 0.49 0.00 1.43 -0.73 -4.47 118.68 114.87 2qrv s LEU 815 Ca -0.01 2.21 -0.10 0.00 -1.03 0.00 0.00 54.13 55.20 2qrv s LEU 815 Cb 0.01 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.60 2qrv s LEU 815 CO 0.07 -2.28 0.86 -0.70 0.23 0.00 0.00 176.35 174.54 2qrv s GLU 816 N -4.18 3.69 0.17 1.70 2.56 -1.26 -4.98 118.70 116.40 2qrv s GLU 816 Ca 0.70 0.51 -0.32 0.00 0.00 0.00 0.00 54.97 55.86 2qrv s GLU 816 Cb -0.25 -2.28 -0.16 0.00 2.00 0.00 0.00 34.13 33.44 2qrv s GLU 816 CO 0.48 -0.24 1.04 1.58 -0.56 0.00 0.00 175.26 177.56 2qrv n HIS 817 N -1.97 0.97 -0.56 5.30 -0.00 -1.26 -2.99 115.22 114.71 2qrv n HIS 817 Ca 0.03 0.76 0.00 0.00 -0.00 0.00 0.00 57.72 58.52 2qrv n HIS 817 Cb 0.54 -2.21 0.00 0.00 -0.00 0.00 0.00 29.99 28.32 2qrv n HIS 817 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qrv n GLY 818 N 1.86 0.68 3.06 1.57 0.00 -1.26 -5.07 105.19 106.03 2qrv n GLY 818 Ca 0.15 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2qrv n GLY 818 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qrv s ARG 819 N -0.84 0.74 -0.07 1.61 0.52 -1.16 -3.86 118.95 115.89 2qrv s ARG 819 Ca 0.00 -0.52 0.02 0.00 -0.52 0.00 0.00 55.73 54.72 2qrv s ARG 819 Cb 0.00 -0.69 -0.02 0.00 0.52 0.00 0.00 34.95 34.75 2qrv s ARG 819 CO 0.00 0.18 -0.12 0.42 0.02 0.00 0.00 175.30 175.79 2qrv s ILE 820 N -0.59 3.21 0.09 1.52 1.09 0.85 -4.86 121.20 122.50 2qrv s ILE 820 Ca 0.01 -0.66 -0.23 0.00 -1.10 0.00 0.00 60.65 58.67 2qrv s ILE 820 Cb -0.06 -2.29 -0.07 0.00 -1.06 0.00 0.00 42.46 38.99 2qrv s ILE 820 CO 0.00 0.58 0.69 0.00 -0.10 0.00 0.00 174.94 176.11 2qrv s ALA 821 N -0.52 3.47 -0.12 9.38 0.00 -1.26 0.40 121.76 133.12 2qrv s ALA 821 Ca 0.07 0.21 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 2qrv s ALA 821 Cb -0.12 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 2qrv s ALA 821 CO 0.02 0.24 0.01 0.87 0.00 0.00 0.00 175.76 176.90 2qrv h LYS 822 N 4.91 0.00 -6.93 0.00 1.57 -1.68 -3.46 116.57 110.98 2qrv h LYS 822 Ca -0.47 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.84 2qrv h LYS 822 Cb 1.21 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.58 2qrv h LYS 822 CO 0.67 0.09 0.02 -0.06 -0.57 0.00 0.00 179.45 179.61 2qrv s PHE 823 N -1.80 1.57 -0.13 -1.35 0.08 -1.26 -5.02 117.98 110.07 2qrv s PHE 823 Ca -0.06 -0.43 0.21 0.00 0.12 0.00 0.00 56.93 56.77 2qrv s PHE 823 Cb 0.00 -2.70 -0.17 0.00 -0.57 0.00 0.00 43.02 39.58 2qrv s PHE 823 CO 0.12 -1.47 0.71 0.45 -0.10 0.00 0.00 175.22 174.93 2qrv n SER 824 N -2.60 0.46 -3.72 1.36 2.88 -1.26 -4.59 113.62 106.15 2qrv n SER 824 Ca 0.15 0.18 -0.12 0.00 -1.33 0.00 0.00 58.87 57.75 2qrv n SER 824 Cb 0.61 1.05 -0.11 0.00 -0.75 0.00 0.00 64.21 65.01 2qrv n SER 824 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2qrv s LYS 825 N -3.29 0.42 0.40 -1.46 1.02 -1.26 -1.15 119.74 114.42 2qrv s LYS 825 Ca -0.05 0.65 -0.23 0.00 0.02 0.00 0.00 55.97 56.36 2qrv s LYS 825 Cb 0.11 0.10 -0.10 0.00 -0.52 0.00 0.00 37.83 37.42 2qrv s LYS 825 CO 0.84 -0.10 0.97 0.14 -0.92 0.00 0.00 175.35 176.28 2qrv s VAL 826 N 0.75 4.17 -0.01 3.17 -7.23 -0.50 -4.89 120.40 115.86 2qrv s VAL 826 Ca -0.04 1.51 0.00 0.00 -1.81 0.00 0.00 61.98 61.64 2qrv s VAL 826 Cb -0.05 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.17 2qrv s VAL 826 CO -0.05 -0.14 -0.01 -2.11 -0.31 0.00 0.00 175.10 172.48 2qrv n ARG 827 N -0.27 0.02 -0.13 4.82 0.00 -1.26 -1.33 116.66 118.52 2qrv n ARG 827 Ca 0.06 0.01 -0.03 0.00 -0.00 0.00 0.00 57.85 57.88 2qrv n ARG 827 Cb 0.52 -0.97 -0.00 0.00 -0.00 0.00 0.00 32.46 32.01 2qrv n ARG 827 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2qrv n PHE 844 N -2.59 0.21 0.00 2.89 3.01 -1.26 -5.00 117.46 114.72 2qrv n PHE 844 Ca -0.02 -0.67 0.00 0.00 1.01 0.00 0.00 57.45 57.77 2qrv n PHE 844 Cb 0.52 -0.75 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 2qrv n PHE 844 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2qrv n PRO 845 N 4.60 0.00 -3.75 -1.08 -0.02 -1.25 -4.17 135.00 129.33 2qrv n PRO 845 Ca 0.07 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.29 2qrv n PRO 845 Cb 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.48 2qrv n PRO 845 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2qrv s VAL 846 N -4.44 5.23 -0.31 -1.45 -7.23 -0.90 -1.72 120.40 109.57 2qrv s VAL 846 Ca 0.00 -0.52 -0.02 0.00 -1.81 0.00 0.00 61.98 59.63 2qrv s VAL 846 Cb 0.00 -3.77 0.05 0.00 0.56 0.00 0.00 36.38 33.23 2qrv s VAL 846 CO 0.00 -0.22 0.02 0.72 -0.31 0.00 0.00 175.10 175.31 2qrv s PHE 847 N -1.90 3.28 0.05 2.82 -0.71 1.34 -2.31 117.98 120.55 2qrv s PHE 847 Ca 0.37 -1.88 0.06 0.00 -1.04 0.00 0.00 56.93 54.44 2qrv s PHE 847 Cb -0.11 -2.19 -0.04 0.00 -1.21 0.00 0.00 43.02 39.48 2qrv s PHE 847 CO 0.30 -0.81 -0.12 1.41 -1.34 0.00 0.00 175.22 174.66 2qrv s MET 848 N 1.25 2.22 0.00 1.99 1.75 0.90 0.29 119.30 127.71 2qrv s MET 848 Ca -0.04 -0.92 0.00 0.00 -1.25 0.00 0.00 55.69 53.47 2qrv s MET 848 Cb -0.20 -2.31 0.00 0.00 2.84 0.00 0.00 34.83 35.16 2qrv s MET 848 CO -0.01 0.55 0.00 0.09 -0.65 0.00 0.00 175.02 175.00 2qrv n ASN 849 N 1.26 0.00 -0.84 1.11 4.13 -1.25 0.35 115.26 120.02 2qrv n ASN 849 Ca -0.15 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.02 2qrv n ASN 849 Cb 0.52 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.74 2qrv n ASN 849 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2qrv n GLU 850 N 0.00 -0.68 -3.81 3.52 1.02 -1.26 -5.01 120.64 114.41 2qrv n GLU 850 Ca 0.00 0.68 -0.13 0.00 -0.02 0.00 0.00 57.16 57.69 2qrv n GLU 850 Cb 0.00 -4.62 -0.13 0.00 -0.02 0.00 0.00 31.44 26.67 2qrv n GLU 850 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2qrv s LYS 851 N -3.42 0.10 -0.29 3.49 2.47 1.07 -5.13 119.74 118.03 2qrv s LYS 851 Ca 0.00 0.19 -0.20 0.00 -1.56 0.00 0.00 55.97 54.40 2qrv s LYS 851 Cb 0.00 -0.01 -0.01 0.00 -1.46 0.00 0.00 37.83 36.35 2qrv s LYS 851 CO 0.00 -0.05 0.59 -2.00 0.16 0.00 0.00 175.35 174.05 2qrv s GLU 852 N 0.33 3.95 0.14 4.03 2.12 -1.26 -0.07 118.70 127.94 2qrv s GLU 852 Ca -0.02 0.30 -0.07 0.00 0.36 0.00 0.00 54.97 55.54 2qrv s GLU 852 Cb -0.04 -3.71 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 2qrv s GLU 852 CO -0.01 -0.50 0.20 0.34 -0.54 0.00 0.00 175.26 174.75 2qrv s ASP 853 N 1.60 0.13 0.16 -1.70 -1.08 -0.98 -4.98 116.67 109.83 2qrv s ASP 853 Ca 0.24 -0.91 -0.23 0.00 -0.52 0.00 0.00 52.55 51.12 2qrv s ASP 853 Cb -0.15 0.38 -0.08 0.00 -1.46 0.00 0.00 42.92 41.61 2qrv s ASP 853 CO 0.11 -0.82 0.73 -0.63 0.52 0.00 0.00 175.17 175.09 2qrv s ILE 854 N -3.97 4.46 0.43 4.11 1.01 -1.26 -2.13 121.20 123.86 2qrv s ILE 854 Ca 0.16 1.55 -0.16 0.00 0.00 0.00 0.00 60.65 62.20 2qrv s ILE 854 Cb 0.05 -4.05 -0.13 0.00 0.01 0.00 0.00 42.46 38.33 2qrv s ILE 854 CO -0.02 0.48 -0.08 -0.11 0.00 0.00 0.00 174.94 175.20 2qrv n LEU 855 N 1.46 -3.12 -4.89 2.97 0.00 -1.26 -4.90 117.00 107.27 2qrv n LEU 855 Ca -0.06 0.60 -0.35 0.00 0.00 0.00 0.00 56.01 56.20 2qrv n LEU 855 Cb 0.49 -0.75 -0.05 0.00 0.00 0.00 0.00 43.42 43.11 2qrv n LEU 855 CO 0.45 -4.13 -0.15 0.26 0.00 0.00 0.00 177.39 173.81 2qrv s TRP 856 N -1.72 3.57 0.55 1.96 0.51 -1.26 -4.95 118.94 117.60 2qrv s TRP 856 Ca 0.50 0.45 0.27 0.00 -2.12 0.00 0.00 56.10 55.20 2qrv s TRP 856 Cb -0.46 -1.89 1.44 0.00 -0.81 0.00 0.00 33.47 31.76 2qrv s TRP 856 CO 0.58 0.68 1.99 0.00 -0.51 0.00 0.00 176.95 179.69 2qrv h THR 858 N 0.00 1.28 0.04 0.00 2.02 -1.97 -0.23 112.91 114.04 2qrv h THR 858 Ca 0.24 -1.50 -0.25 0.00 0.77 0.00 0.00 66.41 65.68 2qrv h THR 858 Cb 1.03 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 2qrv h THR 858 CO -0.00 0.50 -1.23 -0.33 0.37 0.00 0.00 175.52 174.82 2qrv h GLU 859 N 0.73 0.09 -0.30 6.66 5.08 -0.94 -3.03 114.58 122.87 2qrv h GLU 859 Ca 0.07 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2qrv h GLU 859 Cb 0.90 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2qrv h GLU 859 CO 0.08 0.98 0.03 1.98 -1.00 0.00 0.00 179.01 181.09 2qrv h MET 860 N 0.02 0.50 -0.40 2.33 4.05 0.59 0.77 114.93 122.79 2qrv h MET 860 Ca -0.11 -0.14 0.07 0.00 -0.28 0.00 0.00 59.70 59.24 2qrv h MET 860 Cb 1.88 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 32.57 2qrv h MET 860 CO 0.14 0.62 0.05 0.93 0.23 0.00 0.00 176.91 178.87 2qrv h GLU 861 N 0.31 0.16 0.00 0.39 5.08 -1.12 0.43 114.58 119.84 2qrv h GLU 861 Ca 0.09 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2qrv h GLU 861 Cb 0.37 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2qrv h GLU 861 CO 0.01 0.11 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.03 2qrv h ARG 862 N 0.16 0.00 0.07 2.33 2.43 -1.25 0.72 114.38 118.85 2qrv h ARG 862 Ca 0.20 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.14 2qrv h ARG 862 Cb 0.26 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2qrv h ARG 862 CO -0.29 0.01 -0.92 0.28 -1.51 0.00 0.00 179.97 177.54 2qrv h VAL 863 N 0.00 1.38 0.00 0.20 2.07 0.48 -3.31 116.25 117.06 2qrv h VAL 863 Ca -0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 2qrv h VAL 863 Cb 0.02 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2qrv h VAL 863 CO 0.00 0.69 0.00 0.49 0.02 0.00 0.00 177.57 178.77 2qrv n PHE 864 N -4.01 0.00 -0.44 1.57 3.01 0.44 -4.28 117.46 113.74 2qrv n PHE 864 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 2qrv n PHE 864 Cb 0.83 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 2qrv n PHE 864 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qrv n GLY 865 N 1.15 0.77 3.94 1.37 0.00 -0.63 -2.40 105.19 109.39 2qrv n GLY 865 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2qrv n GLY 865 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qrv s PHE 866 N -2.15 3.31 0.41 1.61 0.08 -0.88 -4.63 117.98 115.72 2qrv s PHE 866 Ca 0.00 0.32 -0.23 0.00 0.12 0.00 0.00 56.93 57.15 2qrv s PHE 866 Cb 0.00 -2.25 -0.10 0.00 -0.57 0.00 0.00 43.02 40.10 2qrv s PHE 866 CO 0.00 -0.28 0.99 -2.14 -0.10 0.00 0.00 175.22 173.69 2qrv s PRO 867 N -4.55 4.21 0.40 0.24 0.02 -1.26 -4.17 135.00 129.89 2qrv s PRO 867 Ca 0.47 1.32 -0.26 0.00 0.02 0.00 0.00 61.00 62.55 2qrv s PRO 867 Cb -0.10 -2.40 -0.10 0.00 0.02 0.00 0.00 34.50 31.92 2qrv s PRO 867 CO 0.38 -0.07 1.29 0.28 -0.33 0.00 0.00 177.00 178.56 2qrv n VAL 868 N -0.28 2.42 -0.91 3.83 0.31 -1.26 -0.88 118.33 121.55 2qrv n VAL 868 Ca 0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2qrv n VAL 868 Cb 0.52 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 2qrv n VAL 868 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2qrv n HIS 869 N -0.06 0.00 0.20 3.52 8.25 -1.26 -4.89 115.22 120.98 2qrv n HIS 869 Ca 0.06 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.68 2qrv n HIS 869 Cb 0.39 -0.59 0.81 0.00 1.12 0.00 0.00 29.99 31.72 2qrv n HIS 869 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2qrv h TYR 870 N 0.00 0.00 -0.26 4.41 3.20 -1.38 -1.90 116.97 121.04 2qrv h TYR 870 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2qrv h TYR 870 Cb 0.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2qrv h TYR 870 CO 0.10 0.00 0.00 0.25 -1.64 0.00 0.00 178.16 176.87 2qrv n THR 871 N -3.90 2.21 -2.44 1.81 -2.24 -1.26 -4.80 114.28 103.67 2qrv n THR 871 Ca 0.01 -1.85 -0.42 0.00 -2.27 0.00 0.00 64.05 59.52 2qrv n THR 871 Cb 0.31 -0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.33 2qrv n THR 871 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2qrv n ASP 872 N -0.48 5.67 0.01 3.42 4.64 -0.72 -4.73 116.55 124.36 2qrv n ASP 872 Ca 0.21 -3.19 -0.03 0.00 -1.38 0.00 0.00 54.79 50.40 2qrv n ASP 872 Cb 0.86 -1.42 -0.01 0.00 -1.04 0.00 0.00 41.12 39.52 2qrv n ASP 872 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 2qrv n VAL 873 N 2.70 0.78 0.00 5.18 0.24 -1.26 -5.07 118.33 120.90 2qrv n VAL 873 Ca 0.39 0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.86 2qrv n VAL 873 Cb 0.34 -1.63 0.00 0.00 -1.47 0.00 0.00 33.84 31.08 2qrv n VAL 873 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2qrv n SER 874 N -3.42 0.00 -1.13 -1.34 7.64 -1.26 -4.80 113.62 109.31 2qrv n SER 874 Ca -0.05 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.89 2qrv n SER 874 Cb 0.30 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.77 2qrv n SER 874 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2qrv n ASN 875 N 0.00 4.03 -4.59 6.43 3.02 -1.26 -5.00 115.26 117.89 2qrv n ASN 875 Ca 0.00 -3.11 -0.61 0.00 -0.03 0.00 0.00 54.58 50.83 2qrv n ASN 875 Cb 0.00 -0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 38.50 2qrv n ASN 875 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2qrv n MET 876 N -0.43 0.14 -0.51 3.52 0.00 -1.26 -4.96 117.12 113.62 2qrv n MET 876 Ca 0.25 0.05 -0.31 0.00 -0.00 0.00 0.00 57.70 57.70 2qrv n MET 876 Cb 0.99 -1.57 0.28 0.00 0.00 0.00 0.00 33.22 32.92 2qrv n MET 876 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2qrv s SER 877 N 1.11 -0.79 -0.04 6.12 1.04 -1.26 -4.73 113.70 115.14 2qrv s SER 877 Ca 0.95 0.77 -0.25 0.00 0.48 0.00 0.00 55.95 57.90 2qrv s SER 877 Cb -1.31 -1.07 -0.22 0.00 0.10 0.00 0.00 66.02 63.53 2qrv s SER 877 CO 0.64 -5.19 1.10 -0.09 0.98 0.00 0.00 173.24 170.69 2qrv h ARG 878 N -3.30 0.12 -0.80 4.02 2.43 -1.98 -1.64 114.38 113.23 2qrv h ARG 878 Ca -0.43 -0.10 0.11 0.00 -0.81 0.00 0.00 59.98 58.75 2qrv h ARG 878 Cb 1.33 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.82 2qrv h ARG 878 CO 0.28 0.78 0.43 1.25 -1.51 0.00 0.00 179.97 181.20 2qrv h LEU 879 N -0.50 0.57 0.76 3.80 5.85 -1.97 1.75 115.31 125.57 2qrv h LEU 879 Ca -0.01 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2qrv h LEU 879 Cb 0.81 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.81 2qrv h LEU 879 CO 0.03 0.30 -0.36 0.00 -0.34 0.00 0.00 178.44 178.07 2qrv h ALA 880 N 1.48 -1.02 -0.95 1.25 0.00 -1.92 0.29 119.26 118.39 2qrv h ALA 880 Ca 0.40 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 55.22 2qrv h ALA 880 Cb 0.45 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 2qrv h ALA 880 CO -0.29 -1.04 0.57 -0.09 0.00 0.00 0.00 179.25 178.41 2qrv h ARG 881 N -1.09 0.81 0.29 0.00 2.43 -0.37 0.79 114.38 117.25 2qrv h ARG 881 Ca -0.10 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 2qrv h ARG 881 Cb 0.79 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2qrv h ARG 881 CO 0.17 0.54 -0.14 0.37 -1.51 0.00 0.00 179.97 179.40 2qrv h GLN 882 N 0.84 -0.38 -0.77 0.20 4.15 0.29 -2.95 115.11 116.49 2qrv h GLN 882 Ca 0.50 0.03 0.15 0.00 0.77 0.00 0.00 58.65 60.09 2qrv h GLN 882 Cb 0.62 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.30 2qrv h GLN 882 CO -0.31 -0.22 0.32 -0.09 -1.93 0.00 0.00 178.83 176.59 2qrv h ARG 883 N -0.44 0.45 0.00 1.69 2.43 0.15 0.39 114.38 119.05 2qrv h ARG 883 Ca -0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2qrv h ARG 883 Cb 0.33 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2qrv h ARG 883 CO 0.07 0.30 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.72 2qrv h LEU 884 N 0.46 -0.09 -0.25 3.80 -0.00 -0.77 -2.75 115.31 115.71 2qrv h LEU 884 Ca 0.43 0.01 0.06 0.00 -0.00 0.00 0.00 57.88 58.38 2qrv h LEU 884 Cb 0.65 0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 41.28 2qrv h LEU 884 CO -0.41 -0.03 -0.18 -0.07 -0.00 0.00 0.00 178.44 177.76 2qrv h LEU 885 N -0.04 -0.58 -0.51 1.67 3.38 -1.39 -2.67 115.31 115.17 2qrv h LEU 885 Ca 0.00 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2qrv h LEU 885 Cb 0.04 0.29 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 2qrv h LEU 885 CO -0.02 -0.22 -0.27 0.61 0.09 0.00 0.00 178.44 178.63 2qrv n GLY 886 N -1.34 -1.24 1.57 0.83 0.00 0.13 0.41 105.19 105.55 2qrv n GLY 886 Ca -0.01 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.52 2qrv n GLY 886 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qrv n ARG 887 N -4.67 2.09 -2.29 1.61 1.85 -1.01 -4.96 116.66 109.28 2qrv n ARG 887 Ca 0.02 -1.68 -0.14 0.00 -1.00 0.00 0.00 57.85 55.05 2qrv n ARG 887 Cb 0.15 -1.72 0.05 0.00 -1.05 0.00 0.00 32.46 29.89 2qrv n ARG 887 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2qrv n SER 888 N -0.21 1.36 -4.91 2.89 3.41 0.16 -5.05 113.62 111.28 2qrv n SER 888 Ca 0.28 -2.01 -0.30 0.00 -0.26 0.00 0.00 58.87 56.58 2qrv n SER 888 Cb 1.05 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 64.64 2qrv n SER 888 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2qrv s TRP 889 N -1.59 3.49 -0.22 7.33 0.51 -1.26 -5.04 118.94 122.16 2qrv s TRP 889 Ca 0.43 0.39 -0.29 0.00 -2.12 0.00 0.00 56.10 54.51 2qrv s TRP 889 Cb -0.03 -1.88 -0.00 0.00 -0.81 0.00 0.00 33.47 30.75 2qrv s TRP 889 CO 0.27 0.46 1.19 0.45 -0.51 0.00 0.00 176.95 178.81 2qrv s SER 890 N -2.72 6.95 0.26 2.95 0.15 -1.26 -4.90 113.70 115.12 2qrv s SER 890 Ca 0.38 1.48 -0.03 0.00 0.70 0.00 0.00 55.95 58.48 2qrv s SER 890 Cb -0.12 -2.54 0.52 0.00 -1.71 0.00 0.00 66.02 62.17 2qrv s SER 890 CO 0.27 -0.79 1.69 0.58 1.20 0.00 0.00 173.24 176.19 2qrv h VAL 891 N 5.57 0.51 -0.21 4.45 2.07 -1.73 0.24 116.25 127.13 2qrv h VAL 891 Ca -0.24 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.20 2qrv h VAL 891 Cb 1.09 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2qrv h VAL 891 CO 0.99 0.06 0.06 -0.65 0.02 0.00 0.00 177.57 178.04 2qrv h PRO 892 N 0.31 0.14 -0.56 1.57 0.11 -1.84 1.35 132.00 133.08 2qrv h PRO 892 Ca 0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.56 2qrv h PRO 892 Cb 0.79 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 2qrv h PRO 892 CO -0.52 0.10 0.37 0.28 -0.21 0.00 0.00 178.00 178.02 2qrv h VAL 893 N 0.15 1.12 0.00 3.15 2.07 -1.54 -0.15 116.25 121.05 2qrv h VAL 893 Ca 0.09 -0.25 -0.23 0.00 0.82 0.00 0.00 66.70 67.13 2qrv h VAL 893 Cb 0.08 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 2qrv h VAL 893 CO -0.11 0.13 -1.21 0.40 0.02 0.00 0.00 177.57 176.80 2qrv h ILE 894 N 0.74 1.39 -0.34 4.57 1.08 0.11 -2.99 117.51 122.06 2qrv h ILE 894 Ca 0.21 -3.13 -0.03 0.00 -0.39 0.00 0.00 64.86 61.52 2qrv h ILE 894 Cb -0.04 2.68 -0.01 0.00 -3.07 0.00 0.00 36.82 36.38 2qrv h ILE 894 CO -0.05 0.79 0.11 -0.09 -0.69 0.00 0.00 178.15 178.23 2qrv h ARG 895 N 0.00 0.53 -0.07 2.37 2.43 0.23 -1.97 114.38 117.90 2qrv h ARG 895 Ca -0.10 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 58.97 2qrv h ARG 895 Cb 1.83 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 31.29 2qrv h ARG 895 CO 0.11 0.55 -0.10 1.25 -1.51 0.00 0.00 179.97 180.27 2qrv h HIS 896 N 0.40 -0.30 -1.01 2.20 2.76 -1.08 0.59 115.15 118.71 2qrv h HIS 896 Ca 0.11 0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.46 2qrv h HIS 896 Cb 0.24 0.14 -0.10 0.00 1.55 0.00 0.00 27.41 29.24 2qrv h HIS 896 CO 0.01 -0.09 0.62 -0.07 -1.30 0.00 0.00 177.93 177.10 2qrv h LEU 897 N -0.07 0.85 0.08 0.26 3.38 -1.47 -2.27 115.31 116.07 2qrv h LEU 897 Ca 0.01 0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 2qrv h LEU 897 Cb 0.11 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2qrv h LEU 897 CO -0.11 0.37 -1.20 -0.26 0.09 0.00 0.00 178.44 177.33 2qrv h PHE 898 N 0.87 0.55 -0.18 1.13 0.05 -1.01 -3.39 116.94 114.95 2qrv h PHE 898 Ca 0.55 -0.38 0.02 0.00 3.82 0.00 0.00 57.97 61.97 2qrv h PHE 898 Cb 0.72 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 38.62 2qrv h PHE 898 CO -0.00 1.28 -0.11 0.00 -0.18 0.00 0.00 178.31 179.29 2qrv n ALA 899 N -2.55 -0.12 0.21 2.45 0.00 0.20 0.28 120.51 120.99 2qrv n ALA 899 Ca -0.09 0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.60 2qrv n ALA 899 Cb 0.99 0.02 0.51 0.00 0.00 0.00 0.00 19.45 20.98 2qrv n ALA 899 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2qrv h PRO 900 N 0.00 0.00 0.00 0.00 0.13 -1.76 -0.93 132.00 129.43 2qrv h PRO 900 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2qrv h PRO 900 Cb 0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.21 2qrv h PRO 900 CO -0.17 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.88 2qrv n LEU 901 N -2.31 0.33 -0.34 1.56 4.77 0.79 -2.60 117.00 119.20 2qrv n LEU 901 Ca -0.01 0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 56.54 2qrv n LEU 901 Cb 0.31 -0.53 0.14 0.00 -2.33 0.00 0.00 43.42 41.01 2qrv n LEU 901 CO 0.08 -0.40 1.29 0.11 -1.33 0.00 0.00 177.39 177.14 2qrv h LYS 902 N 0.00 1.25 0.00 3.23 1.57 -1.31 -2.88 116.57 118.43 2qrv h LYS 902 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2qrv h LYS 902 Cb 0.31 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2qrv h LYS 902 CO 0.00 0.82 0.00 0.39 -0.57 0.00 0.00 179.45 180.09 2qrv n GLU 903 N -4.39 0.26 0.00 3.15 -0.58 -1.07 -3.13 120.64 114.87 2qrv n GLU 903 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2qrv n GLU 903 Cb 0.02 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 2qrv n GLU 903 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2qrv n TYR 904 N -0.66 0.00 -4.53 -0.32 4.02 -1.09 -5.11 117.16 109.47 2qrv n TYR 904 Ca 0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.66 2qrv n TYR 904 Cb 0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.24 2qrv n TYR 904 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2qrv s PHE 905 N -0.58 1.90 -0.30 -0.72 0.40 -1.18 -4.42 117.98 113.07 2qrv s PHE 905 Ca 0.00 -1.09 -0.37 0.00 -0.60 0.00 0.00 56.93 54.87 2qrv s PHE 905 Cb 0.00 -1.30 -0.13 0.00 0.51 0.00 0.00 43.02 42.10 2qrv s PHE 905 CO 0.00 -0.07 2.02 0.00 0.70 0.00 0.00 175.22 177.87 2qrv n ALA 906 N -0.89 0.66 -2.60 5.36 0.00 0.21 -4.82 120.51 118.43 2qrv n ALA 906 Ca -0.07 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.08 2qrv n ALA 906 Cb 0.66 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 2qrv n ALA 906 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50