#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a49 n GLN 613 N 0.00 -1.57 -3.82 0.38 6.02 -1.26 -4.90 117.38 112.23 1a49 n GLN 613 Ca 0.00 -0.42 -0.21 0.00 -0.01 0.00 0.00 57.00 56.35 1a49 n GLN 613 Cb 0.00 -2.07 -0.04 0.00 1.02 0.00 0.00 30.24 29.16 1a49 n GLN 613 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1a49 s THR 614 N -2.41 3.32 -1.59 5.09 -4.23 -1.26 -4.26 115.64 110.30 1a49 s THR 614 Ca 0.64 -1.41 -0.12 0.00 -1.18 0.00 0.00 61.69 59.61 1a49 s THR 614 Cb -0.21 -3.13 0.10 0.00 1.34 0.00 0.00 72.50 70.60 1a49 s THR 614 CO 0.64 -0.15 0.69 1.67 -0.54 0.00 0.00 174.62 176.94 1a49 n GLN 615 N -1.37 -3.49 -1.56 3.99 7.27 0.76 -0.90 117.38 122.09 1a49 n GLN 615 Ca -0.01 0.41 -0.11 0.00 0.07 0.00 0.00 57.00 57.36 1a49 n GLN 615 Cb 0.60 -4.96 -0.04 0.00 2.41 0.00 0.00 30.24 28.25 1a49 n GLN 615 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1a49 n GLN 616 N -4.43 -1.47 0.12 3.69 1.13 -1.26 -4.77 117.38 110.39 1a49 n GLN 616 Ca -0.05 0.63 0.18 0.00 -1.94 0.00 0.00 57.00 55.82 1a49 n GLN 616 Cb 0.56 -4.92 0.76 0.00 0.11 0.00 0.00 30.24 26.75 1a49 n GLN 616 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a49 h LEU 617 N 0.00 0.00 -0.25 1.08 3.38 -1.35 0.54 115.31 118.72 1a49 h LEU 617 Ca -0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1a49 h LEU 617 Cb 0.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1a49 h LEU 617 CO 0.33 0.00 -0.11 -0.74 0.09 0.00 0.00 178.44 178.00 1a49 h HIS 618 N 0.00 0.59 0.00 1.13 2.76 -1.86 -2.71 115.15 115.06 1a49 h HIS 618 Ca 0.16 -0.15 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 1a49 h HIS 618 Cb 0.77 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 1a49 h HIS 618 CO 0.00 0.77 -0.22 0.00 -1.30 0.00 0.00 177.93 177.18 1a49 h ALA 619 N 0.73 0.97 -0.13 5.26 0.00 -1.05 -2.26 119.26 122.78 1a49 h ALA 619 Ca 0.06 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1a49 h ALA 619 Cb 0.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1a49 h ALA 619 CO 0.04 0.28 0.19 0.00 0.00 0.00 0.00 179.25 179.75 1a49 h ALA 620 N 1.78 1.61 -0.70 0.00 0.00 0.28 -1.02 119.26 121.21 1a49 h ALA 620 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a49 h ALA 620 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1a49 h ALA 620 CO 0.03 -0.25 0.00 -1.33 0.00 0.00 0.00 179.25 177.69 1a49 n MET 621 N -3.56 2.79 -1.66 0.00 2.81 -0.85 -4.78 117.12 111.87 1a49 n MET 621 Ca 0.00 -2.59 -0.32 0.00 -1.81 0.00 0.00 57.70 52.99 1a49 n MET 621 Cb 0.29 -1.60 0.05 0.00 -0.71 0.00 0.00 33.22 31.25 1a49 n MET 621 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a49 s ALA 622 N -1.16 2.58 -0.09 3.04 0.00 -0.39 -5.01 121.76 120.73 1a49 s ALA 622 Ca 0.48 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.77 1a49 s ALA 622 Cb 0.26 -3.23 -0.24 0.00 0.00 0.00 0.00 23.12 19.91 1a49 s ALA 622 CO 0.31 -1.23 0.47 -0.25 0.00 0.00 0.00 175.76 175.06 1a49 n ASP 623 N -2.81 1.25 -4.38 0.00 8.00 -1.26 -4.91 116.55 112.43 1a49 n ASP 623 Ca 0.09 0.28 -0.20 0.00 0.71 0.00 0.00 54.79 55.67 1a49 n ASP 623 Cb 0.53 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.29 1a49 n ASP 623 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a49 s THR 624 N -2.57 1.77 0.11 -3.53 -4.23 -1.26 -5.03 115.64 100.90 1a49 s THR 624 Ca -0.12 -2.20 -0.21 0.00 -1.18 0.00 0.00 61.69 57.98 1a49 s THR 624 Cb 0.07 -2.20 -0.08 0.00 1.34 0.00 0.00 72.50 71.63 1a49 s THR 624 CO 0.80 -0.48 1.74 0.15 -0.54 0.00 0.00 174.62 176.28 1a49 h PHE 625 N 2.44 0.03 -0.39 3.99 3.57 -2.00 -0.75 116.94 123.83 1a49 h PHE 625 Ca -0.39 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.20 1a49 h PHE 625 Cb 1.23 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.89 1a49 h PHE 625 CO 0.71 0.01 -0.26 1.25 -2.23 0.00 0.00 178.31 177.79 1a49 h LEU 626 N 0.07 -0.86 -1.03 0.59 5.85 -1.99 -1.00 115.31 116.94 1a49 h LEU 626 Ca 0.06 0.17 0.08 0.00 0.84 0.00 0.00 57.88 59.03 1a49 h LEU 626 Cb 0.06 0.43 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 1a49 h LEU 626 CO -0.09 -0.28 0.64 -0.08 -0.34 0.00 0.00 178.44 178.30 1a49 h GLU 627 N -0.19 1.10 -0.19 1.25 4.57 -1.83 0.62 114.58 119.90 1a49 h GLU 627 Ca 0.18 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.34 1a49 h GLU 627 Cb 0.49 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 1a49 h GLU 627 CO -0.50 0.73 -0.07 1.25 -1.18 0.00 0.00 179.01 179.23 1a49 h HIS 628 N 1.13 -0.17 0.33 0.92 2.76 0.07 -1.06 115.15 119.14 1a49 h HIS 628 Ca 0.44 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.63 1a49 h HIS 628 Cb 0.23 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 1a49 h HIS 628 CO -0.00 -0.12 -0.27 0.52 -1.30 0.00 0.00 177.93 176.76 1a49 h MET 629 N -0.04 -0.59 -0.33 5.26 2.86 -0.59 -1.51 114.93 119.97 1a49 h MET 629 Ca 0.10 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.87 1a49 h MET 629 Cb 0.19 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1a49 h MET 629 CO -0.22 -0.40 0.45 0.00 1.06 0.00 0.00 176.91 177.81 1a49 n ARG 631 N -3.50 0.41 -1.73 0.00 1.74 -0.43 -4.93 116.66 108.22 1a49 n ARG 631 Ca 0.06 -0.24 -0.42 0.00 -0.77 0.00 0.00 57.85 56.47 1a49 n ARG 631 Cb 0.60 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 1a49 n ARG 631 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1a49 n LEU 632 N -1.08 4.09 -3.88 0.55 4.77 0.33 -4.42 117.00 117.36 1a49 n LEU 632 Ca 0.09 1.15 -0.27 0.00 -0.03 0.00 0.00 56.01 56.94 1a49 n LEU 632 Cb 0.34 -1.56 -0.17 0.00 -2.33 0.00 0.00 43.42 39.71 1a49 n LEU 632 CO 0.30 0.01 -0.42 -0.62 -1.33 0.00 0.00 177.39 175.33 1a49 s ASP 633 N 0.43 2.53 0.66 -1.43 2.15 -1.26 -4.98 116.67 114.76 1a49 s ASP 633 Ca 0.65 -0.51 0.41 0.00 0.43 0.00 0.00 52.55 53.53 1a49 s ASP 633 Cb -0.53 -0.84 2.25 0.00 -0.30 0.00 0.00 42.92 43.50 1a49 s ASP 633 CO 0.49 -0.17 2.30 0.16 -0.17 0.00 0.00 175.17 177.78 1a49 h ILE 634 N 6.31 0.07 -0.05 4.11 3.07 -2.02 0.38 117.51 129.38 1a49 h ILE 634 Ca -0.25 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.16 1a49 h ILE 634 Cb 1.12 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 1a49 h ILE 634 CO 0.39 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.96 1a49 n ASP 635 N -3.16 2.49 -4.43 2.16 8.00 -1.26 -4.78 116.55 115.57 1a49 n ASP 635 Ca -0.03 -1.83 -0.43 0.00 0.71 0.00 0.00 54.79 53.21 1a49 n ASP 635 Cb 0.12 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 1a49 n ASP 635 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a49 s SER 636 N -1.96 6.18 0.46 -2.24 0.15 0.13 -4.96 113.70 111.47 1a49 s SER 636 Ca 0.32 -1.09 -0.23 0.00 0.70 0.00 0.00 55.95 55.65 1a49 s SER 636 Cb 0.20 -2.39 -0.07 0.00 -1.71 0.00 0.00 66.02 62.06 1a49 s SER 636 CO 0.31 -1.34 1.18 0.00 1.20 0.00 0.00 173.24 174.59 1a49 s ALA 637 N 3.67 2.97 0.43 5.45 0.00 -1.26 -4.28 121.76 128.74 1a49 s ALA 637 Ca 0.19 0.96 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1a49 s ALA 637 Cb -0.19 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1a49 s ALA 637 CO 0.09 -0.69 0.62 -1.25 0.00 0.00 0.00 175.76 174.54 1a49 s PRO 638 N -2.69 2.99 0.94 0.00 0.04 -1.26 0.27 135.00 135.29 1a49 s PRO 638 Ca 0.64 -0.71 -0.12 0.00 0.04 0.00 0.00 61.00 60.84 1a49 s PRO 638 Cb -0.29 -2.63 0.15 0.00 0.04 0.00 0.00 34.50 31.77 1a49 s PRO 638 CO 0.36 -0.24 1.10 0.96 0.04 0.00 0.00 177.00 179.22 1a49 s ILE 639 N -2.47 2.26 0.06 0.56 -4.36 -1.26 -4.88 121.20 111.11 1a49 s ILE 639 Ca 0.49 0.08 -0.19 0.00 -0.26 0.00 0.00 60.65 60.78 1a49 s ILE 639 Cb -0.10 -2.67 -0.13 0.00 1.25 0.00 0.00 42.46 40.81 1a49 s ILE 639 CO 0.36 -0.11 1.37 0.71 0.24 0.00 0.00 174.94 177.50 1a49 h THR 640 N -1.65 1.33 -2.41 8.37 1.35 -1.96 -3.44 112.91 114.51 1a49 h THR 640 Ca -0.52 -1.35 -0.53 0.00 -0.55 0.00 0.00 66.41 63.46 1a49 h THR 640 Cb 1.32 1.79 0.02 0.00 -1.73 0.00 0.00 68.15 69.54 1a49 h THR 640 CO 0.58 0.41 1.21 0.00 -0.25 0.00 0.00 175.52 177.47 1a49 s ALA 641 N -4.32 3.61 -0.29 6.62 0.00 -1.26 -4.99 121.76 121.13 1a49 s ALA 641 Ca -0.14 1.32 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 1a49 s ALA 641 Cb 0.06 -3.83 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 1a49 s ALA 641 CO 0.78 -1.51 0.13 0.50 0.00 0.00 0.00 175.76 175.65 1a49 s ARG 642 N 4.20 3.54 0.06 0.00 3.00 -1.26 -4.92 118.95 123.57 1a49 s ARG 642 Ca 0.86 -0.58 0.11 0.00 -1.00 0.00 0.00 55.73 55.13 1a49 s ARG 642 Cb -0.42 -3.51 -0.18 0.00 0.00 0.00 0.00 34.95 30.84 1a49 s ARG 642 CO 0.40 -0.31 1.00 -0.91 0.00 0.00 0.00 175.30 175.48 1a49 h ASN 643 N 8.32 0.00 -2.97 -2.12 -0.26 -1.93 -3.46 115.58 113.15 1a49 h ASN 643 Ca -0.35 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 54.83 1a49 h ASN 643 Cb 1.16 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.38 1a49 h ASN 643 CO 0.59 0.90 0.85 -0.89 -1.06 0.00 0.00 177.43 177.82 1a49 s THR 644 N -2.72 4.33 0.23 2.81 2.01 -1.26 -1.30 115.64 119.75 1a49 s THR 644 Ca -0.01 1.62 -0.30 0.00 0.31 0.00 0.00 61.69 63.30 1a49 s THR 644 Cb 0.09 -4.04 -0.10 0.00 0.01 0.00 0.00 72.50 68.45 1a49 s THR 644 CO 0.81 -0.12 1.45 -0.83 -0.69 0.00 0.00 174.62 175.25 1a49 s GLY 645 N 1.78 2.23 -0.31 4.40 0.00 -0.74 -4.84 107.32 109.84 1a49 s GLY 645 Ca 0.54 1.32 -0.08 0.00 0.00 0.00 0.00 44.72 46.49 1a49 s GLY 645 CO 0.15 2.32 0.13 -0.42 0.00 0.00 0.00 173.10 175.27 1a49 s ILE 646 N 0.16 4.29 -0.34 0.90 1.01 -1.26 0.05 121.20 126.01 1a49 s ILE 646 Ca 0.61 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 1a49 s ILE 646 Cb -0.42 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 1a49 s ILE 646 CO 0.41 0.02 0.32 -0.63 0.00 0.00 0.00 174.94 175.06 1a49 s ILE 647 N 1.55 5.21 -0.23 2.92 1.01 -0.18 -1.71 121.20 129.77 1a49 s ILE 647 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 1a49 s ILE 647 Cb -0.17 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1a49 s ILE 647 CO 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 174.94 174.95 1a49 s THR 649 N 1.44 3.36 0.09 0.00 2.01 0.79 -1.13 115.64 122.20 1a49 s THR 649 Ca 0.05 0.67 -0.17 0.00 0.31 0.00 0.00 61.69 62.56 1a49 s THR 649 Cb -0.15 -3.43 -0.07 0.00 0.01 0.00 0.00 72.50 68.86 1a49 s THR 649 CO 0.01 -0.02 0.54 -0.63 -0.69 0.00 0.00 174.62 173.83 1a49 s ILE 650 N 3.10 4.82 0.00 1.82 -1.09 -0.76 -2.79 121.20 126.31 1a49 s ILE 650 Ca 0.72 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.16 1a49 s ILE 650 Cb -0.36 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1a49 s ILE 650 CO 0.30 0.44 0.00 0.61 -1.23 0.00 0.00 174.94 175.06 1a49 n GLY 651 N 1.38 2.53 0.40 6.18 0.00 -1.22 -4.78 105.19 109.68 1a49 n GLY 651 Ca -0.09 -0.73 0.22 0.00 0.00 0.00 0.00 46.02 45.41 1a49 n GLY 651 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a49 h PRO 652 N 0.00 0.04 0.00 1.61 0.11 -1.67 0.74 132.00 132.83 1a49 h PRO 652 Ca 0.00 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1a49 h PRO 652 Cb 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1a49 h PRO 652 CO 0.00 0.03 -0.42 0.00 -0.21 0.00 0.00 178.00 177.40 1a49 h ALA 653 N 1.69 0.78 0.00 -0.75 0.00 -0.22 -3.40 119.26 117.36 1a49 h ALA 653 Ca 0.30 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1a49 h ALA 653 Cb 1.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1a49 h ALA 653 CO -0.02 0.52 -0.10 -1.13 0.00 0.00 0.00 179.25 178.53 1a49 n SER 654 N -3.28 0.50 -0.29 0.00 3.41 0.22 -4.82 113.62 109.36 1a49 n SER 654 Ca 0.02 -0.34 0.24 0.00 -0.26 0.00 0.00 58.87 58.52 1a49 n SER 654 Cb 0.65 0.79 0.55 0.00 -0.26 0.00 0.00 64.21 65.94 1a49 n SER 654 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1a49 h ARG 655 N 0.00 0.32 -7.14 4.33 3.08 -0.75 -3.23 114.38 110.99 1a49 h ARG 655 Ca 0.00 -0.02 -0.53 0.00 0.07 0.00 0.00 59.98 59.50 1a49 h ARG 655 Cb 0.00 -0.07 0.13 0.00 0.08 0.00 0.00 29.97 30.10 1a49 h ARG 655 CO 0.00 0.21 0.43 -1.54 -1.07 0.00 0.00 179.97 178.00 1a49 s SER 656 N -5.37 4.87 0.11 7.04 1.04 -1.26 -4.80 113.70 115.33 1a49 s SER 656 Ca -0.08 2.32 -0.21 0.00 0.48 0.00 0.00 55.95 58.46 1a49 s SER 656 Cb 0.24 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.68 1a49 s SER 656 CO 0.79 -1.81 1.74 0.58 0.98 0.00 0.00 173.24 175.53 1a49 h VAL 657 N 0.40 0.96 -0.30 5.02 2.07 -1.85 0.68 116.25 123.22 1a49 h VAL 657 Ca -0.49 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.04 1a49 h VAL 657 Cb 1.29 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1a49 h VAL 657 CO 0.53 0.01 0.07 -0.08 0.02 0.00 0.00 177.57 178.13 1a49 h GLU 658 N 0.08 0.18 0.16 1.57 4.81 -1.94 0.87 114.58 120.31 1a49 h GLU 658 Ca 0.05 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1a49 h GLU 658 Cb 0.04 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1a49 h GLU 658 CO -0.06 0.12 -0.08 1.15 -0.73 0.00 0.00 179.01 179.41 1a49 h THR 659 N 0.19 0.92 -0.89 0.32 2.02 -1.77 -1.24 112.91 112.46 1a49 h THR 659 Ca 0.14 -0.36 0.21 0.00 0.77 0.00 0.00 66.41 67.17 1a49 h THR 659 Cb 0.14 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 1a49 h THR 659 CO -0.18 0.09 0.60 -0.07 0.37 0.00 0.00 175.52 176.33 1a49 h LEU 660 N -0.39 0.32 -0.52 2.58 4.07 0.74 0.72 115.31 122.83 1a49 h LEU 660 Ca -0.02 0.03 -0.15 0.00 0.08 0.00 0.00 57.88 57.82 1a49 h LEU 660 Cb 0.30 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 1a49 h LEU 660 CO 0.04 0.12 -0.43 0.11 -1.08 0.00 0.00 178.44 177.20 1a49 h LYS 661 N 0.32 0.73 -0.45 1.13 1.57 0.15 -2.49 116.57 117.53 1a49 h LYS 661 Ca 0.46 -0.39 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 1a49 h LYS 661 Cb 1.28 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1a49 h LYS 661 CO -0.15 1.01 -0.28 0.93 -0.57 0.00 0.00 179.45 180.40 1a49 h GLU 662 N 0.59 0.98 -0.72 3.15 4.39 0.13 -0.83 114.58 122.27 1a49 h GLU 662 Ca 0.04 -0.45 0.12 0.00 0.34 0.00 0.00 59.36 59.41 1a49 h GLU 662 Cb 0.98 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.53 1a49 h GLU 662 CO 0.09 1.12 0.31 0.52 -1.16 0.00 0.00 179.01 179.90 1a49 h MET 663 N 0.82 0.49 -0.26 2.33 2.86 -0.21 0.78 114.93 121.74 1a49 h MET 663 Ca 0.09 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1a49 h MET 663 Cb 0.87 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1a49 h MET 663 CO 0.08 0.32 -0.00 0.82 1.06 0.00 0.00 176.91 179.19 1a49 h ILE 664 N 0.50 1.26 -0.25 -1.22 2.04 -1.29 0.90 117.51 119.45 1a49 h ILE 664 Ca 0.38 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 1a49 h ILE 664 Cb 0.50 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1a49 h ILE 664 CO -0.34 0.29 -0.05 0.11 0.00 0.00 0.00 178.15 178.16 1a49 h LYS 665 N 0.24 0.38 0.00 2.37 1.57 0.29 -2.47 116.57 118.96 1a49 h LYS 665 Ca 0.07 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1a49 h LYS 665 Cb 0.42 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1a49 h LYS 665 CO 0.01 0.46 -0.04 0.77 -0.57 0.00 0.00 179.45 180.08 1a49 h SER 666 N 0.37 0.00 0.00 0.86 0.02 0.86 -3.46 113.55 112.20 1a49 h SER 666 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1a49 h SER 666 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1a49 h SER 666 CO 0.01 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 1a49 n GLY 667 N 0.30 -0.10 3.69 -3.77 0.00 -0.86 -4.34 105.19 100.11 1a49 n GLY 667 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1a49 n GLY 667 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a49 n MET 668 N 0.00 2.85 -0.09 1.61 0.00 0.26 -4.62 117.12 117.13 1a49 n MET 668 Ca 0.00 1.04 -0.11 0.00 -0.00 0.00 0.00 57.70 58.63 1a49 n MET 668 Cb 0.00 -2.94 -0.10 0.00 0.00 0.00 0.00 33.22 30.17 1a49 n MET 668 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1a49 n ASN 669 N 5.90 1.95 -4.00 6.12 4.13 -0.70 -4.66 115.26 124.00 1a49 n ASN 669 Ca 0.18 -0.06 -0.25 0.00 1.68 0.00 0.00 54.58 56.13 1a49 n ASN 669 Cb 0.38 0.23 -0.17 0.00 -1.54 0.00 0.00 39.78 38.68 1a49 n ASN 669 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a49 s VAL 670 N -2.38 1.12 -0.35 2.41 1.01 -1.02 -0.99 120.40 120.20 1a49 s VAL 670 Ca -0.18 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1a49 s VAL 670 Cb 0.06 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 1a49 s VAL 670 CO 0.52 0.36 0.54 0.00 0.00 0.00 0.00 175.10 176.52 1a49 s ALA 671 N 0.88 3.48 -0.09 5.51 0.00 -0.57 -0.38 121.76 130.58 1a49 s ALA 671 Ca -0.11 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 50.75 1a49 s ALA 671 Cb -0.15 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1a49 s ALA 671 CO 0.01 -1.23 0.33 0.50 0.00 0.00 0.00 175.76 175.38 1a49 s ARG 672 N 2.45 4.02 -0.39 0.00 3.52 -0.28 -0.91 118.95 127.36 1a49 s ARG 672 Ca 0.20 0.22 -0.11 0.00 -0.13 0.00 0.00 55.73 55.90 1a49 s ARG 672 Cb -0.15 -3.32 0.04 0.00 -1.56 0.00 0.00 34.95 29.96 1a49 s ARG 672 CO 0.13 0.48 0.23 -1.64 -0.81 0.00 0.00 175.30 173.69 1a49 s MET 673 N -0.31 2.80 -0.68 5.12 -1.94 0.99 -1.83 119.30 123.46 1a49 s MET 673 Ca 0.20 -1.15 -0.25 0.00 -1.71 0.00 0.00 55.69 52.78 1a49 s MET 673 Cb -0.14 -3.78 0.05 0.00 2.01 0.00 0.00 34.83 32.97 1a49 s MET 673 CO 0.08 -0.76 1.12 1.21 -0.01 0.00 0.00 175.02 176.66 1a49 s ASN 674 N 1.69 6.20 0.00 3.03 2.47 -1.26 -0.49 114.94 126.58 1a49 s ASN 674 Ca 0.02 -0.62 0.06 0.00 0.42 0.00 0.00 52.86 52.74 1a49 s ASN 674 Cb -0.20 -2.49 0.34 0.00 -1.45 0.00 0.00 41.25 37.45 1a49 s ASN 674 CO 0.06 -1.61 0.82 0.49 -3.72 0.00 0.00 177.10 173.14 1a49 n PHE 675 N 8.50 0.00 0.24 0.43 3.01 0.27 -3.32 117.46 126.59 1a49 n PHE 675 Ca 0.01 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.56 1a49 n PHE 675 Cb 0.47 0.00 0.60 0.00 -0.01 0.00 0.00 39.48 40.55 1a49 n PHE 675 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1a49 h SER 676 N 0.00 0.00 -5.78 4.37 0.02 -1.85 -3.38 113.55 106.93 1a49 h SER 676 Ca 0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 1a49 h SER 676 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 1a49 h SER 676 CO 0.00 0.18 -0.54 -1.00 -1.14 0.00 0.00 176.83 174.34 1a49 s HIS 677 N -4.24 1.53 0.00 3.45 3.76 -1.21 -4.97 115.29 113.60 1a49 s HIS 677 Ca -0.03 -1.55 0.00 0.00 -0.15 0.00 0.00 55.06 53.33 1a49 s HIS 677 Cb 0.14 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 33.18 1a49 s HIS 677 CO 0.63 -0.79 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 1a49 n GLY 678 N -0.49 -2.24 3.94 -2.22 0.00 -1.26 -4.90 105.19 98.02 1a49 n GLY 678 Ca 0.05 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 1a49 n GLY 678 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a49 s THR 679 N -2.80 4.69 0.31 2.61 -4.23 -1.26 -4.95 115.64 110.01 1a49 s THR 679 Ca 0.00 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.46 1a49 s THR 679 Cb 0.00 -3.62 0.30 0.00 1.34 0.00 0.00 72.50 70.51 1a49 s THR 679 CO 0.00 -0.28 1.85 0.45 -0.54 0.00 0.00 174.62 176.10 1a49 h HIS 680 N 1.15 1.05 -0.73 3.99 -0.00 -1.99 0.38 115.15 119.00 1a49 h HIS 680 Ca -0.49 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 59.89 1a49 h HIS 680 Cb 1.24 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 28.28 1a49 h HIS 680 CO 0.47 0.41 0.40 1.49 -0.00 0.00 0.00 177.93 180.69 1a49 h GLU 681 N 0.91 1.01 0.45 2.45 4.22 -1.98 0.12 114.58 121.75 1a49 h GLU 681 Ca 0.48 -0.11 -0.02 0.00 0.08 0.00 0.00 59.36 59.79 1a49 h GLU 681 Cb 0.55 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1a49 h GLU 681 CO -0.25 0.74 -0.21 -0.92 -2.18 0.00 0.00 179.01 176.19 1a49 h TYR 682 N 1.02 -0.55 -0.91 0.92 3.20 -0.74 -2.69 116.97 117.21 1a49 h TYR 682 Ca 0.26 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.13 1a49 h TYR 682 Cb 0.03 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 1a49 h TYR 682 CO 0.01 -0.25 0.60 0.45 -1.64 0.00 0.00 178.16 177.33 1a49 h HIS 683 N -1.04 1.14 -0.83 -3.82 3.86 -0.78 0.44 115.15 114.12 1a49 h HIS 683 Ca -0.06 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.25 1a49 h HIS 683 Cb 0.56 -0.38 -0.05 0.00 1.06 0.00 0.00 27.41 28.59 1a49 h HIS 683 CO 0.02 0.70 0.54 0.00 0.86 0.00 0.00 177.93 180.04 1a49 h ALA 684 N 1.35 1.62 -0.15 2.45 0.00 -0.84 0.37 119.26 124.06 1a49 h ALA 684 Ca 0.34 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 1a49 h ALA 684 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1a49 h ALA 684 CO -0.09 0.25 -0.52 1.49 0.00 0.00 0.00 179.25 180.38 1a49 h GLU 685 N 0.89 0.41 0.44 0.00 4.81 0.14 -0.91 114.58 120.36 1a49 h GLU 685 Ca 0.36 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1a49 h GLU 685 Cb 0.26 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1a49 h GLU 685 CO -0.13 0.83 -0.21 1.15 -0.73 0.00 0.00 179.01 179.92 1a49 h THR 686 N 0.32 0.55 -0.75 0.32 2.02 0.96 -2.36 112.91 113.96 1a49 h THR 686 Ca 0.01 -0.27 0.16 0.00 0.77 0.00 0.00 66.41 67.08 1a49 h THR 686 Cb 1.02 0.67 -0.11 0.00 -1.74 0.00 0.00 68.15 68.00 1a49 h THR 686 CO 0.09 0.05 0.22 0.40 0.37 0.00 0.00 175.52 176.65 1a49 h ILE 687 N -0.75 0.54 -0.35 3.11 2.04 -0.32 0.39 117.51 122.16 1a49 h ILE 687 Ca -0.06 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.73 1a49 h ILE 687 Cb 0.53 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 1a49 h ILE 687 CO 0.10 0.06 -0.48 0.50 0.00 0.00 0.00 178.15 178.32 1a49 h LYS 688 N 0.32 -0.33 -0.69 2.37 3.64 -1.08 0.28 116.57 121.07 1a49 h LYS 688 Ca 0.43 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.80 1a49 h LYS 688 Cb 0.72 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1a49 h LYS 688 CO -0.49 -0.22 0.32 -0.91 -2.27 0.00 0.00 179.45 175.88 1a49 h ASN 689 N -0.34 0.90 0.29 4.20 -0.26 -0.64 0.77 115.58 120.50 1a49 h ASN 689 Ca 0.06 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.68 1a49 h ASN 689 Cb 0.51 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1a49 h ASN 689 CO -0.52 0.77 -0.14 0.58 -1.06 0.00 0.00 177.43 177.07 1a49 h VAL 690 N 0.99 0.72 -0.88 2.81 2.07 -0.57 0.74 116.25 122.13 1a49 h VAL 690 Ca 0.24 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 1a49 h VAL 690 Cb 0.12 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1a49 h VAL 690 CO -0.03 0.00 0.47 0.03 0.02 0.00 0.00 177.57 178.06 1a49 h ARG 691 N -0.39 1.24 -0.01 1.57 3.08 0.20 0.64 114.38 120.72 1a49 h ARG 691 Ca -0.04 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1a49 h ARG 691 Cb 0.30 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1a49 h ARG 691 CO 0.06 0.92 0.00 1.15 -1.07 0.00 0.00 179.97 181.03 1a49 h THR 692 N 1.24 1.02 -0.20 2.04 2.02 0.11 -2.26 112.91 116.88 1a49 h THR 692 Ca 0.31 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.46 1a49 h THR 692 Cb 0.05 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 1a49 h THR 692 CO -0.05 0.02 -0.04 0.00 0.37 0.00 0.00 175.52 175.82 1a49 h ALA 693 N 0.98 0.14 -0.29 6.16 0.00 0.86 -2.91 119.26 124.20 1a49 h ALA 693 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1a49 h ALA 693 Cb 0.03 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1a49 h ALA 693 CO -0.00 -0.47 -0.21 1.15 0.00 0.00 0.00 179.25 179.72 1a49 h THR 694 N 0.01 0.43 0.00 0.00 2.02 -0.63 -1.75 112.91 112.98 1a49 h THR 694 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1a49 h THR 694 Cb 0.14 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1a49 h THR 694 CO -0.20 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.07 1a49 n GLU 695 N -5.37 0.09 0.31 6.66 -0.58 -0.87 -2.08 120.64 118.79 1a49 n GLU 695 Ca 0.00 0.45 0.18 0.00 -0.42 0.00 0.00 57.16 57.37 1a49 n GLU 695 Cb 0.28 -1.71 1.00 0.00 -0.57 0.00 0.00 31.44 30.43 1a49 n GLU 695 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a49 h SER 696 N 0.00 0.00 0.24 1.62 4.64 -1.15 -1.84 113.55 117.06 1a49 h SER 696 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a49 h SER 696 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1a49 h SER 696 CO 0.00 0.02 -1.31 0.49 -0.87 0.00 0.00 176.83 175.16 1a49 n PHE 697 N -3.50 0.16 -0.34 4.77 3.72 -0.88 -4.46 117.46 116.93 1a49 n PHE 697 Ca -0.03 0.05 0.36 0.00 -0.05 0.00 0.00 57.45 57.78 1a49 n PHE 697 Cb 0.11 -0.38 0.75 0.00 -0.94 0.00 0.00 39.48 39.02 1a49 n PHE 697 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a49 h ALA 698 N 2.46 3.14 0.00 4.37 0.00 -1.47 0.44 119.26 128.19 1a49 h ALA 698 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a49 h ALA 698 Cb 0.77 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1a49 h ALA 698 CO 0.00 -1.49 0.28 0.66 0.00 0.00 0.00 179.25 178.70 1a49 h SER 699 N 0.01 0.00 -2.49 0.00 4.64 -1.78 -2.95 113.55 110.98 1a49 h SER 699 Ca 0.58 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.30 1a49 h SER 699 Cb 2.31 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 64.00 1a49 h SER 699 CO -0.01 0.00 -0.74 -0.67 -0.87 0.00 0.00 176.83 174.54 1a49 n ASP 700 N -2.56 2.21 -0.25 4.97 2.03 0.15 -4.95 116.55 118.15 1a49 n ASP 700 Ca -0.02 -3.06 0.27 0.00 0.52 0.00 0.00 54.79 52.50 1a49 n ASP 700 Cb 0.32 -0.67 0.42 0.00 -0.72 0.00 0.00 41.12 40.46 1a49 n ASP 700 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1a49 n PRO 701 N 1.65 0.01 -0.05 -0.67 -0.04 -1.12 0.23 135.00 135.01 1a49 n PRO 701 Ca 0.25 0.88 -0.19 0.00 -0.04 0.00 0.00 63.50 64.40 1a49 n PRO 701 Cb 0.42 -2.17 -0.13 0.00 -0.04 0.00 0.00 33.50 31.59 1a49 n PRO 701 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1a49 h ILE 702 N 0.00 1.32 -0.15 0.52 1.08 -1.91 -3.33 117.51 115.04 1a49 h ILE 702 Ca 0.48 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.62 1a49 h ILE 702 Cb 2.63 2.85 0.00 0.00 -3.07 0.00 0.00 36.82 39.23 1a49 h ILE 702 CO -0.01 0.55 0.00 0.18 -0.69 0.00 0.00 178.15 178.18 1a49 n LEU 703 N -4.35 1.12 -4.70 1.44 4.32 0.63 -4.86 117.00 110.61 1a49 n LEU 703 Ca -0.21 -0.50 -0.42 0.00 -0.02 0.00 0.00 56.01 54.86 1a49 n LEU 703 Cb 0.67 -0.10 -0.03 0.00 -1.62 0.00 0.00 43.42 42.35 1a49 n LEU 703 CO 0.32 0.25 0.85 -0.47 -1.22 0.00 0.00 177.39 177.12 1a49 s TYR 704 N -1.81 3.41 -0.11 -1.77 5.04 0.27 -4.91 117.35 117.48 1a49 s TYR 704 Ca 0.26 1.40 0.02 0.00 -2.44 0.00 0.00 57.07 56.31 1a49 s TYR 704 Cb 0.13 -3.32 0.01 0.00 0.35 0.00 0.00 41.96 39.13 1a49 s TYR 704 CO 0.20 -0.87 -0.16 1.03 -1.34 0.00 0.00 175.55 174.41 1a49 s ARG 705 N 1.56 2.27 0.37 4.97 0.52 -1.26 -4.90 118.95 122.49 1a49 s ARG 705 Ca 0.55 -0.59 -0.27 0.00 -0.52 0.00 0.00 55.73 54.90 1a49 s ARG 705 Cb -0.24 -1.90 -0.09 0.00 0.52 0.00 0.00 34.95 33.23 1a49 s ARG 705 CO 0.25 -0.03 1.29 -2.14 0.02 0.00 0.00 175.30 174.69 1a49 s PRO 706 N 0.90 4.15 -0.07 3.54 0.02 -1.26 -4.95 135.00 137.33 1a49 s PRO 706 Ca -0.08 2.15 0.01 0.00 0.02 0.00 0.00 61.00 63.10 1a49 s PRO 706 Cb -0.15 -2.89 0.02 0.00 0.02 0.00 0.00 34.50 31.50 1a49 s PRO 706 CO -0.00 -0.34 -0.09 0.08 -0.33 0.00 0.00 177.00 176.32 1a49 s VAL 707 N -1.22 0.92 0.63 3.83 1.01 -1.26 -4.90 120.40 119.40 1a49 s VAL 707 Ca 0.53 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 1a49 s VAL 707 Cb -0.38 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1a49 s VAL 707 CO 0.50 0.32 0.99 0.00 0.00 0.00 0.00 175.10 176.91 1a49 s ALA 708 N 1.02 3.11 -0.09 5.51 0.00 -0.16 -4.92 121.76 126.23 1a49 s ALA 708 Ca -0.08 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.49 1a49 s ALA 708 Cb -0.15 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1a49 s ALA 708 CO -0.00 -0.86 -0.18 0.08 0.00 0.00 0.00 175.76 174.79 1a49 s VAL 709 N -3.14 1.66 0.09 0.00 1.01 -1.26 -1.52 120.40 117.24 1a49 s VAL 709 Ca 0.55 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1a49 s VAL 709 Cb -0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1a49 s VAL 709 CO 0.49 0.47 -0.23 0.00 0.00 0.00 0.00 175.10 175.84 1a49 s ALA 710 N 0.59 1.97 -0.22 5.51 0.00 -0.09 -0.95 121.76 128.57 1a49 s ALA 710 Ca -0.15 -1.27 -0.03 0.00 0.00 0.00 0.00 51.96 50.51 1a49 s ALA 710 Cb -0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1a49 s ALA 710 CO 0.05 0.42 -0.06 -1.17 0.00 0.00 0.00 175.76 175.00 1a49 s LEU 711 N -1.76 2.83 -0.32 0.00 0.20 -0.73 -0.01 118.68 118.89 1a49 s LEU 711 Ca 0.09 -0.41 -0.02 0.00 0.69 0.00 0.00 54.13 54.47 1a49 s LEU 711 Cb -0.10 -1.72 0.06 0.00 -0.43 0.00 0.00 46.19 44.01 1a49 s LEU 711 CO 0.04 -0.02 0.04 -0.62 -0.29 0.00 0.00 176.35 175.50 1a49 s ASP 712 N 1.46 4.98 0.51 3.68 -1.08 0.36 0.63 116.67 127.22 1a49 s ASP 712 Ca 0.06 -1.39 -0.22 0.00 -0.52 0.00 0.00 52.55 50.47 1a49 s ASP 712 Cb -0.14 -1.74 -0.06 0.00 -1.46 0.00 0.00 42.92 39.52 1a49 s ASP 712 CO -0.04 -0.31 1.26 0.42 0.52 0.00 0.00 175.17 177.02 1a49 s THR 713 N 1.24 2.57 0.16 1.71 -4.23 -0.72 0.95 115.64 117.32 1a49 s THR 713 Ca -0.03 0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 60.79 1a49 s THR 713 Cb -0.20 -3.21 0.05 0.00 1.34 0.00 0.00 72.50 70.48 1a49 s THR 713 CO -0.01 -0.01 1.68 0.50 -0.54 0.00 0.00 174.62 176.23 1a49 h LYS 714 N 1.67 0.86 -0.63 3.99 3.64 -1.91 -3.38 116.57 120.80 1a49 h LYS 714 Ca -0.50 -0.20 0.08 0.00 -1.27 0.00 0.00 60.65 58.76 1a49 h LYS 714 Cb 1.28 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1a49 h LYS 714 CO 0.58 0.80 -0.11 0.41 -2.27 0.00 0.00 179.45 178.86 1a49 n GLY 715 N -0.65 -1.51 3.69 5.01 0.00 -1.26 -4.89 105.19 105.57 1a49 n GLY 715 Ca 0.02 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1a49 n GLY 715 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a49 n PRO 716 N -1.84 0.73 -3.62 1.61 -0.04 -1.26 -4.79 135.00 125.78 1a49 n PRO 716 Ca 0.00 0.31 -0.16 0.00 -0.04 0.00 0.00 63.50 63.61 1a49 n PRO 716 Cb 0.13 -2.43 -0.07 0.00 -0.04 0.00 0.00 33.50 31.09 1a49 n PRO 716 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1a49 s GLU 717 N -3.54 0.87 -0.13 0.54 2.02 -1.26 -4.98 118.70 112.21 1a49 s GLU 717 Ca 0.78 0.30 0.01 0.00 0.02 0.00 0.00 54.97 56.08 1a49 s GLU 717 Cb -0.35 0.41 -0.01 0.00 0.10 0.00 0.00 34.13 34.28 1a49 s GLU 717 CO 0.45 -0.23 -0.17 0.42 0.02 0.00 0.00 175.26 175.76 1a49 s ILE 718 N -0.82 2.64 0.02 -1.63 1.01 -1.26 -4.88 121.20 116.27 1a49 s ILE 718 Ca -0.09 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1a49 s ILE 718 Cb -0.02 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 1a49 s ILE 718 CO 0.06 0.53 -0.06 -0.13 0.00 0.00 0.00 174.94 175.34 1a49 s ARG 719 N 0.55 0.44 0.80 2.79 0.52 -1.26 -2.03 118.95 120.76 1a49 s ARG 719 Ca -0.10 -0.42 -0.09 0.00 -0.52 0.00 0.00 55.73 54.59 1a49 s ARG 719 Cb -0.16 -0.32 0.12 0.00 0.52 0.00 0.00 34.95 35.11 1a49 s ARG 719 CO 0.04 0.07 1.12 0.95 0.02 0.00 0.00 175.30 177.51 1a49 s THR 720 N -0.67 2.13 0.00 0.02 -4.23 -0.44 -0.77 115.64 111.68 1a49 s THR 720 Ca -0.04 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1a49 s THR 720 Cb -0.05 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1a49 s THR 720 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1a49 n GLY 721 N -3.21 0.54 3.76 3.99 0.00 0.57 -3.20 105.19 107.65 1a49 n GLY 721 Ca 0.12 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 1a49 n GLY 721 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a49 s LEU 722 N 0.00 4.58 -0.28 0.99 1.43 -1.15 -0.48 118.68 123.76 1a49 s LEU 722 Ca 0.00 1.67 -0.26 0.00 -1.03 0.00 0.00 54.13 54.51 1a49 s LEU 722 Cb 0.00 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 42.88 1a49 s LEU 722 CO 0.00 0.15 0.93 -0.63 0.23 0.00 0.00 176.35 177.03 1a49 s ILE 723 N -0.91 4.70 -1.59 -0.59 -1.09 -1.07 -2.11 121.20 118.54 1a49 s ILE 723 Ca 0.38 1.59 -0.13 0.00 -2.23 0.00 0.00 60.65 60.25 1a49 s ILE 723 Cb -0.23 -4.25 0.10 0.00 -1.58 0.00 0.00 42.46 36.50 1a49 s ILE 723 CO 0.27 -0.27 0.75 0.29 -1.23 0.00 0.00 174.94 174.75 1a49 n LYS 724 N 6.38 -3.81 -1.02 2.79 4.76 -1.00 -0.68 118.16 125.59 1a49 n LYS 724 Ca 0.08 0.44 -0.01 0.00 -2.87 0.00 0.00 58.31 55.95 1a49 n LYS 724 Cb 0.47 -5.07 -0.00 0.00 -1.84 0.00 0.00 35.03 28.59 1a49 n LYS 724 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a49 n GLY 725 N -1.60 0.20 3.39 0.72 0.00 -0.17 -4.94 105.19 102.79 1a49 n GLY 725 Ca -0.03 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1a49 n GLY 725 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a49 s SER 726 N -2.04 3.40 0.21 1.61 0.15 0.14 -5.01 113.70 112.17 1a49 s SER 726 Ca 0.00 -0.53 0.25 0.00 0.70 0.00 0.00 55.95 56.37 1a49 s SER 726 Cb 0.00 -0.41 0.53 0.00 -1.71 0.00 0.00 66.02 64.43 1a49 s SER 726 CO 0.00 0.26 1.55 1.23 1.20 0.00 0.00 173.24 177.48 1a49 h GLY 727 N 4.70 0.00 -0.16 9.45 0.00 -1.92 -2.84 103.07 112.29 1a49 h GLY 727 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1a49 h GLY 727 CO 0.45 0.00 -0.53 -1.30 0.00 0.00 0.00 176.54 175.16 1a49 n THR 728 N -2.36 0.00 -1.35 4.70 -2.24 -1.26 -4.50 114.28 107.28 1a49 n THR 728 Ca 0.04 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.29 1a49 n THR 728 Cb 0.46 1.04 0.13 0.00 -2.10 0.00 0.00 70.33 69.86 1a49 n THR 728 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 s ALA 729 N -2.09 1.69 0.06 6.98 0.00 -1.25 -4.93 121.76 122.22 1a49 s ALA 729 Ca 0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 1a49 s ALA 729 Cb 0.10 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 1a49 s ALA 729 CO 0.49 -2.24 0.10 -1.21 0.00 0.00 0.00 175.76 172.90 1a49 s GLU 730 N -5.05 0.67 0.27 0.00 2.02 -1.26 -4.03 118.70 111.32 1a49 s GLU 730 Ca 0.63 -0.92 0.04 0.00 0.02 0.00 0.00 54.97 54.74 1a49 s GLU 730 Cb -0.17 0.26 -0.06 0.00 0.10 0.00 0.00 34.13 34.27 1a49 s GLU 730 CO 0.56 -0.18 0.00 0.08 0.02 0.00 0.00 175.26 175.74 1a49 s VAL 731 N -3.30 1.22 -0.19 2.63 1.01 -0.64 -4.94 120.40 116.19 1a49 s VAL 731 Ca 0.01 -2.05 0.01 0.00 0.00 0.00 0.00 61.98 59.95 1a49 s VAL 731 Cb 0.03 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1a49 s VAL 731 CO -0.08 -0.23 -0.18 -0.70 0.00 0.00 0.00 175.10 173.92 1a49 s GLU 732 N -3.84 2.75 0.08 2.72 2.12 -1.26 0.16 118.70 121.43 1a49 s GLU 732 Ca 0.31 -0.87 -0.22 0.00 0.36 0.00 0.00 54.97 54.54 1a49 s GLU 732 Cb 0.06 -2.56 -0.07 0.00 0.26 0.00 0.00 34.13 31.83 1a49 s GLU 732 CO 0.11 -0.28 0.66 -0.51 -0.54 0.00 0.00 175.26 174.71 1a49 s LEU 733 N 1.29 4.51 -0.12 2.70 1.43 0.78 -4.93 118.68 124.34 1a49 s LEU 733 Ca 0.03 1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 54.50 1a49 s LEU 733 Cb -0.14 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 1a49 s LEU 733 CO -0.11 0.19 -0.10 -0.54 0.23 0.00 0.00 176.35 176.01 1a49 s LYS 734 N -0.78 3.34 -0.00 1.70 1.02 -1.26 -0.82 119.74 122.93 1a49 s LYS 734 Ca 0.33 -0.63 -0.39 0.00 0.02 0.00 0.00 55.97 55.30 1a49 s LYS 734 Cb -0.20 -2.69 -0.18 0.00 -0.52 0.00 0.00 37.83 34.24 1a49 s LYS 734 CO 0.21 0.30 1.25 1.17 -0.92 0.00 0.00 175.35 177.36 1a49 n LYS 735 N 3.30 0.57 0.00 1.68 4.81 -1.26 -1.57 118.16 125.69 1a49 n LYS 735 Ca -0.18 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1a49 n LYS 735 Cb 0.53 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1a49 n LYS 735 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a49 n GLY 736 N 2.23 3.43 3.69 3.14 0.00 0.12 -4.99 105.19 112.80 1a49 n GLY 736 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1a49 n GLY 736 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 737 N -2.86 1.05 0.02 4.61 0.00 -0.61 -4.69 121.76 119.27 1a49 s ALA 737 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1a49 s ALA 737 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1a49 s ALA 737 CO 0.00 -2.81 0.03 0.99 0.00 0.00 0.00 175.76 173.97 1a49 s THR 738 N -3.04 4.34 -0.17 0.00 2.01 -1.26 -0.61 115.64 116.92 1a49 s THR 738 Ca 0.65 -0.62 -0.09 0.00 0.31 0.00 0.00 61.69 61.95 1a49 s THR 738 Cb -0.17 -2.99 0.06 0.00 0.01 0.00 0.00 72.50 69.41 1a49 s THR 738 CO 0.57 0.31 0.40 -0.22 -0.69 0.00 0.00 174.62 174.99 1a49 s LEU 739 N -1.80 -0.18 -0.24 4.42 2.96 0.67 -4.82 118.68 119.69 1a49 s LEU 739 Ca 0.22 0.89 -0.13 0.00 -0.22 0.00 0.00 54.13 54.90 1a49 s LEU 739 Cb -0.12 1.31 -0.05 0.00 0.50 0.00 0.00 46.19 47.84 1a49 s LEU 739 CO 0.14 -0.20 0.26 -0.75 -1.32 0.00 0.00 176.35 174.47 1a49 s LYS 740 N 1.64 4.08 -0.12 1.98 2.20 0.28 -0.20 119.74 129.59 1a49 s LYS 740 Ca -0.08 -0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.26 1a49 s LYS 740 Cb -0.09 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1a49 s LYS 740 CO -0.13 -0.04 0.40 0.42 -0.36 0.00 0.00 175.35 175.65 1a49 s ILE 741 N 1.35 5.22 0.24 5.43 1.01 0.93 -0.33 121.20 135.05 1a49 s ILE 741 Ca 0.12 0.80 0.09 0.00 0.00 0.00 0.00 60.65 61.65 1a49 s ILE 741 Cb -0.14 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1a49 s ILE 741 CO 0.07 0.37 -0.14 0.42 0.00 0.00 0.00 174.94 175.66 1a49 s THR 742 N 0.41 1.92 -0.67 2.92 -4.23 -0.56 -0.05 115.64 115.38 1a49 s THR 742 Ca 0.22 -2.25 0.10 0.00 -1.18 0.00 0.00 61.69 58.59 1a49 s THR 742 Cb -0.14 -2.20 -0.07 0.00 1.34 0.00 0.00 72.50 71.43 1a49 s THR 742 CO 0.08 -0.48 0.52 0.18 -0.54 0.00 0.00 174.62 174.38 1a49 n LEU 743 N -0.49 0.79 -4.55 4.79 4.77 -0.17 -3.37 117.00 118.76 1a49 n LEU 743 Ca -0.07 -0.61 -0.34 0.00 -0.03 0.00 0.00 56.01 54.97 1a49 n LEU 743 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1a49 n LEU 743 CO 0.37 0.17 1.77 -0.62 -1.33 0.00 0.00 177.39 177.75 1a49 s ASP 744 N -1.73 4.69 0.03 -1.43 2.15 -1.26 -4.80 116.67 114.31 1a49 s ASP 744 Ca 0.06 0.63 0.01 0.00 0.43 0.00 0.00 52.55 53.67 1a49 s ASP 744 Cb 0.08 -2.52 0.05 0.00 -0.30 0.00 0.00 42.92 40.23 1a49 s ASP 744 CO 0.35 -2.82 0.72 0.59 -0.17 0.00 0.00 175.17 173.85 1a49 n ASN 745 N 15.07 0.02 0.30 -0.34 5.03 -1.26 0.46 115.26 134.54 1a49 n ASN 745 Ca 0.33 0.21 0.15 0.00 0.87 0.00 0.00 54.58 56.14 1a49 n ASN 745 Cb 0.52 -0.19 0.92 0.00 -1.02 0.00 0.00 39.78 40.01 1a49 n ASN 745 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a49 h ALA 746 N 0.72 1.48 -0.26 5.41 0.00 -2.00 -1.44 119.26 123.16 1a49 h ALA 746 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a49 h ALA 746 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1a49 h ALA 746 CO 0.00 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.92 1a49 n TYR 747 N -3.79 0.35 0.21 0.00 4.02 0.17 -4.63 117.16 113.49 1a49 n TYR 747 Ca -0.03 -0.40 0.12 0.00 -0.01 0.00 0.00 57.90 57.58 1a49 n TYR 747 Cb 0.09 -0.02 0.63 0.00 -0.02 0.00 0.00 39.34 40.02 1a49 n TYR 747 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1a49 h MET 748 N 1.93 0.00 0.00 -0.72 1.85 -1.37 0.16 114.93 116.78 1a49 h MET 748 Ca 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 1a49 h MET 748 Cb 0.66 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.65 1a49 h MET 748 CO 0.00 0.00 -0.37 0.39 -0.40 0.00 0.00 176.91 176.53 1a49 n GLU 749 N -2.40 0.68 -1.01 0.39 1.02 -1.26 -2.94 120.64 115.12 1a49 n GLU 749 Ca -0.02 -2.00 0.03 0.00 -0.02 0.00 0.00 57.16 55.15 1a49 n GLU 749 Cb 0.18 -0.96 0.14 0.00 -0.02 0.00 0.00 31.44 30.79 1a49 n GLU 749 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a49 n LYS 750 N -0.62 1.42 -2.02 3.49 5.02 0.57 -0.99 118.16 125.02 1a49 n LYS 750 Ca 0.09 -3.10 -0.36 0.00 -2.02 0.00 0.00 58.31 52.92 1a49 n LYS 750 Cb 0.73 -1.31 0.03 0.00 -0.02 0.00 0.00 35.03 34.45 1a49 n LYS 750 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a49 n ASP 752 N -1.42 0.00 0.26 0.00 5.68 0.22 -2.38 116.55 118.91 1a49 n ASP 752 Ca 0.13 -0.97 0.17 0.00 -0.50 0.00 0.00 54.79 53.62 1a49 n ASP 752 Cb 0.49 0.00 0.91 0.00 -1.14 0.00 0.00 41.12 41.38 1a49 n ASP 752 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1a49 h GLU 753 N 0.00 0.00 0.00 0.11 9.09 -1.94 -2.70 114.58 119.14 1a49 h GLU 753 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 1a49 h GLU 753 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1a49 h GLU 753 CO 0.00 0.00 -1.38 0.09 0.05 0.00 0.00 179.01 177.77 1a49 n ASN 754 N -2.69 3.39 -4.03 3.06 4.13 -1.26 -4.80 115.26 113.06 1a49 n ASN 754 Ca -0.02 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 55.98 1a49 n ASN 754 Cb 0.08 0.99 -0.17 0.00 -1.54 0.00 0.00 39.78 39.14 1a49 n ASN 754 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1a49 s ILE 755 N -2.32 1.22 -0.13 2.41 1.01 -1.02 -0.56 121.20 121.81 1a49 s ILE 755 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1a49 s ILE 755 Cb 0.03 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.40 1a49 s ILE 755 CO 0.28 0.38 -0.15 -0.22 0.00 0.00 0.00 174.94 175.23 1a49 s LEU 756 N 0.73 1.70 0.02 2.97 0.20 0.54 0.73 118.68 125.57 1a49 s LEU 756 Ca -0.13 -0.46 -0.00 0.00 0.69 0.00 0.00 54.13 54.23 1a49 s LEU 756 Cb -0.16 -1.14 -0.04 0.00 -0.43 0.00 0.00 46.19 44.42 1a49 s LEU 756 CO 0.03 -0.02 0.12 0.86 -0.29 0.00 0.00 176.35 177.04 1a49 s TRP 757 N 1.25 3.35 0.12 5.38 -0.00 -1.26 -1.50 118.94 126.28 1a49 s TRP 757 Ca -0.00 0.22 0.01 0.00 -0.00 0.00 0.00 56.10 56.33 1a49 s TRP 757 Cb -0.14 -1.74 -0.04 0.00 -0.00 0.00 0.00 33.47 31.55 1a49 s TRP 757 CO -0.06 0.57 -0.03 -0.51 -0.00 0.00 0.00 176.95 176.91 1a49 s LEU 758 N -1.97 2.34 0.35 5.86 1.43 -1.22 -0.31 118.68 125.16 1a49 s LEU 758 Ca 0.26 -1.07 0.05 0.00 -1.03 0.00 0.00 54.13 52.34 1a49 s LEU 758 Cb -0.12 -0.02 0.70 0.00 0.03 0.00 0.00 46.19 46.77 1a49 s LEU 758 CO 0.18 -0.52 1.95 0.44 0.23 0.00 0.00 176.35 178.62 1a49 h ASP 759 N 2.89 0.71 -2.23 2.29 3.32 -1.28 -3.44 116.42 118.68 1a49 h ASP 759 Ca -0.36 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.08 1a49 h ASP 759 Cb 1.18 -0.15 -0.13 0.00 0.22 0.00 0.00 39.33 40.45 1a49 h ASP 759 CO 0.64 0.46 0.90 -0.47 -1.72 0.00 0.00 179.24 179.05 1a49 s TYR 760 N -5.72 2.68 0.55 4.55 5.04 -1.26 -4.88 117.35 118.30 1a49 s TYR 760 Ca -0.10 -0.72 0.23 0.00 -2.44 0.00 0.00 57.07 54.04 1a49 s TYR 760 Cb 0.19 -4.44 1.45 0.00 0.35 0.00 0.00 41.96 39.52 1a49 s TYR 760 CO 0.78 -1.75 2.10 0.87 -1.34 0.00 0.00 175.55 176.21 1a49 h LYS 761 N 9.52 0.00 -0.40 4.97 1.57 -1.96 -2.44 116.57 127.83 1a49 h LYS 761 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1a49 h LYS 761 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1a49 h LYS 761 CO 1.23 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 180.20 1a49 n ASN 762 N -4.25 3.01 -0.38 0.86 3.02 -1.26 -4.66 115.26 111.60 1a49 n ASN 762 Ca 0.02 -1.94 -0.02 0.00 -0.03 0.00 0.00 54.58 52.61 1a49 n ASN 762 Cb 0.29 -0.26 0.02 0.00 -0.61 0.00 0.00 39.78 39.22 1a49 n ASN 762 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1a49 h ILE 763 N 3.73 0.00 -0.42 2.41 2.10 -1.86 -1.12 117.51 122.36 1a49 h ILE 763 Ca 0.00 0.00 0.12 0.00 1.08 0.00 0.00 64.86 66.06 1a49 h ILE 763 Cb 0.83 0.00 -0.02 0.00 -1.09 0.00 0.00 36.82 36.55 1a49 h ILE 763 CO 0.00 0.00 0.30 0.00 -1.08 0.00 0.00 178.15 177.37 1a49 h LYS 765 N 0.02 0.72 -0.01 0.00 1.57 -1.54 -3.31 116.57 114.03 1a49 h LYS 765 Ca 0.20 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1a49 h LYS 765 Cb 0.77 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1a49 h LYS 765 CO -0.01 0.88 -0.69 1.33 -0.57 0.00 0.00 179.45 180.39 1a49 n VAL 766 N -4.12 0.00 -4.20 0.50 0.24 -0.10 -4.97 118.33 105.68 1a49 n VAL 766 Ca 0.00 -0.10 -0.29 0.00 -2.04 0.00 0.00 64.34 61.91 1a49 n VAL 766 Cb 0.42 0.94 -0.09 0.00 -1.47 0.00 0.00 33.84 33.64 1a49 n VAL 766 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1a49 s VAL 767 N -2.77 3.55 0.26 3.34 -7.23 -0.71 -4.37 120.40 112.46 1a49 s VAL 767 Ca 0.14 -1.25 0.11 0.00 -1.81 0.00 0.00 61.98 59.16 1a49 s VAL 767 Cb 0.17 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1a49 s VAL 767 CO 0.71 0.07 -0.13 -1.81 -0.31 0.00 0.00 175.10 173.64 1a49 s ASP 768 N -2.37 3.96 0.24 4.85 1.11 -1.26 -4.88 116.67 118.32 1a49 s ASP 768 Ca 0.23 -0.84 -0.31 0.00 0.18 0.00 0.00 52.55 51.81 1a49 s ASP 768 Cb -0.11 -0.52 -0.12 0.00 1.07 0.00 0.00 42.92 43.24 1a49 s ASP 768 CO 0.15 0.04 1.63 0.52 1.18 0.00 0.00 175.17 178.70 1a49 n VAL 769 N -0.55 0.45 -0.23 -1.27 0.31 -1.26 0.64 118.33 116.41 1a49 n VAL 769 Ca -0.07 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1a49 n VAL 769 Cb 0.59 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1a49 n VAL 769 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a49 n GLY 770 N 3.09 0.70 4.02 2.92 0.00 0.56 -5.00 105.19 111.49 1a49 n GLY 770 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1a49 n GLY 770 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 771 N -2.67 5.13 0.03 1.61 0.01 0.21 -4.77 113.70 113.25 1a49 s SER 771 Ca 0.00 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 56.66 1a49 s SER 771 Cb 0.00 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 1a49 s SER 771 CO 0.00 -1.27 -0.04 -0.54 0.41 0.00 0.00 173.24 171.80 1a49 s LYS 772 N -4.67 2.58 -0.14 12.44 -0.14 -1.26 -0.63 119.74 127.93 1a49 s LYS 772 Ca 0.61 -0.74 -0.00 0.00 -1.36 0.00 0.00 55.97 54.47 1a49 s LYS 772 Cb -0.07 -2.54 -0.01 0.00 -1.68 0.00 0.00 37.83 33.53 1a49 s LYS 772 CO 0.38 0.59 -0.13 0.08 -0.76 0.00 0.00 175.35 175.51 1a49 s VAL 773 N -1.10 3.00 -0.10 3.17 1.01 0.62 -4.03 120.40 122.97 1a49 s VAL 773 Ca 0.20 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 1a49 s VAL 773 Cb -0.11 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1a49 s VAL 773 CO 0.11 0.52 -0.09 -0.31 0.00 0.00 0.00 175.10 175.33 1a49 s TYR 774 N 0.50 2.90 0.02 5.22 2.02 -0.69 0.79 117.35 128.10 1a49 s TYR 774 Ca -0.09 -0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.43 1a49 s TYR 774 Cb -0.16 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 1a49 s TYR 774 CO 0.04 0.09 -0.19 0.08 -1.57 0.00 0.00 175.55 174.01 1a49 s VAL 775 N -0.23 1.47 -0.87 0.71 1.01 0.47 -1.17 120.40 121.78 1a49 s VAL 775 Ca 0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1a49 s VAL 775 Cb -0.13 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1a49 s VAL 775 CO 0.03 0.25 0.78 -0.67 0.00 0.00 0.00 175.10 175.49 1a49 n ASP 776 N 2.18 -6.58 -3.82 3.32 -0.08 0.13 -0.22 116.55 111.48 1a49 n ASP 776 Ca -0.16 -0.47 -0.25 0.00 -1.51 0.00 0.00 54.79 52.40 1a49 n ASP 776 Cb 0.54 -4.85 0.02 0.00 2.34 0.00 0.00 41.12 39.16 1a49 n ASP 776 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1a49 n ASP 777 N -2.66 -1.73 0.00 1.67 8.00 -1.26 -0.42 116.55 120.15 1a49 n ASP 777 Ca -0.04 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1a49 n ASP 777 Cb 0.58 -3.74 0.00 0.00 -0.02 0.00 0.00 41.12 37.94 1a49 n ASP 777 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a49 n GLY 778 N -1.69 0.18 0.32 0.44 0.00 -1.22 -4.80 105.19 98.43 1a49 n GLY 778 Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 1a49 n GLY 778 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a49 h LEU 779 N 0.00 1.04 -9.12 0.99 3.38 -0.14 -3.40 115.31 108.06 1a49 h LEU 779 Ca 0.00 -0.21 -0.68 0.00 0.09 0.00 0.00 57.88 57.08 1a49 h LEU 779 Cb 0.55 -0.27 -0.18 0.00 0.09 0.00 0.00 40.66 40.85 1a49 h LEU 779 CO 0.00 0.98 -0.68 -0.63 0.09 0.00 0.00 178.44 178.20 1a49 s ILE 780 N -5.40 3.83 -0.07 1.22 1.01 0.69 -4.82 121.20 117.66 1a49 s ILE 780 Ca -0.12 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.15 1a49 s ILE 780 Cb 0.15 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1a49 s ILE 780 CO 0.84 0.59 -0.23 -0.55 0.00 0.00 0.00 174.94 175.60 1a49 s SER 781 N -0.76 3.27 0.05 3.58 0.15 -1.00 -0.39 113.70 118.60 1a49 s SER 781 Ca 0.12 -0.46 0.07 0.00 0.70 0.00 0.00 55.95 56.38 1a49 s SER 781 Cb -0.11 -0.96 -0.03 0.00 -1.71 0.00 0.00 66.02 63.21 1a49 s SER 781 CO 0.02 0.24 -0.21 -0.76 1.20 0.00 0.00 173.24 173.73 1a49 s LEU 782 N -0.14 2.19 -0.17 3.45 1.02 0.24 -1.99 118.68 123.27 1a49 s LEU 782 Ca -0.04 -0.55 -0.02 0.00 0.02 0.00 0.00 54.13 53.55 1a49 s LEU 782 Cb -0.14 -0.95 -0.01 0.00 0.02 0.00 0.00 46.19 45.10 1a49 s LEU 782 CO 0.04 0.14 -0.09 -1.58 0.02 0.00 0.00 176.35 174.88 1a49 s GLN 783 N -1.29 3.40 -0.06 1.70 0.74 -0.24 -0.28 119.66 123.62 1a49 s GLN 783 Ca 0.07 -0.65 -0.30 0.00 0.05 0.00 0.00 55.36 54.53 1a49 s GLN 783 Cb -0.09 -2.79 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 1a49 s GLN 783 CO 0.02 0.06 1.31 0.08 -0.55 0.00 0.00 175.29 176.21 1a49 s VAL 784 N 0.78 4.03 -0.01 1.34 1.01 0.20 -0.19 120.40 127.55 1a49 s VAL 784 Ca -0.04 1.35 0.05 0.00 0.00 0.00 0.00 61.98 63.34 1a49 s VAL 784 Cb -0.15 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 1a49 s VAL 784 CO 0.01 -0.04 0.10 0.29 0.00 0.00 0.00 175.10 175.46 1a49 n LYS 785 N 5.71 0.65 -3.76 2.72 5.02 0.19 -0.32 118.16 128.37 1a49 n LYS 785 Ca 0.13 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.24 1a49 n LYS 785 Cb 0.45 -1.12 -0.09 0.00 -0.02 0.00 0.00 35.03 34.24 1a49 n LYS 785 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1a49 s GLN 786 N -2.32 0.60 -0.05 1.97 -0.21 -0.82 -4.90 119.66 113.94 1a49 s GLN 786 Ca -0.02 -0.01 0.01 0.00 0.02 0.00 0.00 55.36 55.35 1a49 s GLN 786 Cb 0.03 0.27 0.02 0.00 1.00 0.00 0.00 33.01 34.34 1a49 s GLN 786 CO 0.21 -0.15 -0.03 0.21 -2.12 0.00 0.00 175.29 173.41 1a49 s LYS 787 N -0.93 0.69 0.00 2.91 2.20 -1.26 -0.24 119.74 123.11 1a49 s LYS 787 Ca -0.10 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 1a49 s LYS 787 Cb -0.04 -0.79 0.00 0.00 -1.51 0.00 0.00 37.83 35.48 1a49 s LYS 787 CO 0.03 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1a49 n GLY 788 N 4.24 6.12 0.69 5.54 0.00 0.16 -5.02 105.19 116.93 1a49 n GLY 788 Ca -0.22 -2.06 0.12 0.00 0.00 0.00 0.00 46.02 43.85 1a49 n GLY 788 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a49 n PRO 789 N -0.04 1.77 0.00 1.61 -0.02 -1.26 -4.26 135.00 132.79 1a49 n PRO 789 Ca 0.00 -1.39 0.00 0.00 -2.02 0.00 0.00 63.50 60.09 1a49 n PRO 789 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1a49 n PRO 789 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1a49 n ASP 790 N 0.60 0.01 -3.62 2.55 -0.08 -1.26 -4.92 116.55 109.83 1a49 n ASP 790 Ca 0.13 -0.03 -0.10 0.00 -1.51 0.00 0.00 54.79 53.28 1a49 n ASP 790 Cb 0.51 0.05 -0.03 0.00 2.34 0.00 0.00 41.12 43.99 1a49 n ASP 790 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1a49 s PHE 791 N -0.06 -0.28 -0.01 -0.67 -0.71 -1.26 -1.00 117.98 113.99 1a49 s PHE 791 Ca 0.00 -0.02 0.06 0.00 -1.04 0.00 0.00 56.93 55.93 1a49 s PHE 791 Cb 0.00 0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 42.23 1a49 s PHE 791 CO 0.00 -0.86 -0.18 -0.51 -1.34 0.00 0.00 175.22 172.32 1a49 s LEU 792 N -2.82 2.04 -0.28 -1.99 1.43 0.93 -0.67 118.68 117.32 1a49 s LEU 792 Ca 0.05 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1a49 s LEU 792 Cb -0.01 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 1a49 s LEU 792 CO -0.08 0.22 0.09 -0.69 0.23 0.00 0.00 176.35 176.13 1a49 s VAL 793 N -0.43 4.27 0.38 -1.59 1.01 0.67 -0.05 120.40 124.67 1a49 s VAL 793 Ca 0.07 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.72 1a49 s VAL 793 Cb -0.07 -3.10 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 1a49 s VAL 793 CO -0.01 0.20 0.02 0.42 0.00 0.00 0.00 175.10 175.73 1a49 s THR 794 N 1.58 1.77 -0.15 3.92 -4.23 0.72 0.55 115.64 119.80 1a49 s THR 794 Ca 0.05 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1a49 s THR 794 Cb -0.16 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.76 1a49 s THR 794 CO 0.04 -0.01 -0.19 -0.70 -0.54 0.00 0.00 174.62 173.22 1a49 s GLU 795 N -3.76 2.78 0.12 3.99 2.12 0.73 -0.24 118.70 124.44 1a49 s GLU 795 Ca 0.35 -0.75 -0.31 0.00 0.36 0.00 0.00 54.97 54.62 1a49 s GLU 795 Cb 0.10 -2.36 -0.10 0.00 0.26 0.00 0.00 34.13 32.02 1a49 s GLU 795 CO 0.17 -0.14 1.76 0.08 -0.54 0.00 0.00 175.26 176.59 1a49 s VAL 796 N 1.15 2.60 -0.20 3.70 1.01 0.23 -1.08 120.40 127.80 1a49 s VAL 796 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 1a49 s VAL 796 Cb -0.14 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 1a49 s VAL 796 CO -0.08 0.00 -0.23 -0.62 0.00 0.00 0.00 175.10 174.17 1a49 n GLU 797 N 5.33 0.46 -3.96 2.72 1.02 -0.84 0.15 120.64 125.51 1a49 n GLU 797 Ca 0.17 0.16 -0.31 0.00 -0.02 0.00 0.00 57.16 57.16 1a49 n GLU 797 Cb 0.38 -1.30 -0.15 0.00 -0.02 0.00 0.00 31.44 30.35 1a49 n GLU 797 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1a49 s ASN 798 N -6.46 4.59 1.31 1.62 3.04 -1.03 -4.72 114.94 113.29 1a49 s ASN 798 Ca -0.28 -2.02 -0.22 0.00 0.04 0.00 0.00 52.86 50.38 1a49 s ASN 798 Cb 0.09 -1.45 0.32 0.00 -1.54 0.00 0.00 41.25 38.67 1a49 s ASN 798 CO 0.40 -0.38 1.04 0.61 -3.04 0.00 0.00 177.10 175.72 1a49 n GLY 799 N 4.39 -3.07 0.00 1.21 0.00 -1.26 -2.37 105.19 104.09 1a49 n GLY 799 Ca 0.02 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1a49 n GLY 799 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a49 n GLY 800 N -5.01 0.15 3.73 -0.02 0.00 0.00 -4.76 105.19 99.28 1a49 n GLY 800 Ca 0.15 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1a49 n GLY 800 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a49 s PHE 801 N -1.58 3.79 -0.23 1.61 0.08 -1.25 0.27 117.98 120.67 1a49 s PHE 801 Ca 0.00 1.71 -0.07 0.00 0.12 0.00 0.00 56.93 58.70 1a49 s PHE 801 Cb 0.00 -2.99 -0.03 0.00 -0.57 0.00 0.00 43.02 39.43 1a49 s PHE 801 CO 0.00 0.23 0.04 -1.17 -0.10 0.00 0.00 175.22 174.22 1a49 s LEU 802 N -0.01 3.40 0.00 -0.37 2.96 0.42 -4.90 118.68 120.17 1a49 s LEU 802 Ca 0.45 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1a49 s LEU 802 Cb -0.23 -1.89 0.03 0.00 0.50 0.00 0.00 46.19 44.60 1a49 s LEU 802 CO 0.28 0.02 0.20 0.61 -1.32 0.00 0.00 176.35 176.14 1a49 n GLY 803 N 4.57 0.82 3.89 7.98 0.00 -1.26 -1.62 105.19 119.57 1a49 n GLY 803 Ca -0.17 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 1a49 n GLY 803 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 804 N -1.83 6.51 -1.38 1.61 0.01 -1.26 -4.54 113.70 112.82 1a49 s SER 804 Ca 0.14 0.88 -0.02 0.00 1.31 0.00 0.00 55.95 58.26 1a49 s SER 804 Cb -0.01 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 64.02 1a49 s SER 804 CO 0.09 -0.22 0.58 0.29 0.41 0.00 0.00 173.24 174.39 1a49 n LYS 805 N -0.84 -4.08 -3.11 12.44 5.02 0.37 -4.96 118.16 122.99 1a49 n LYS 805 Ca -0.00 0.50 -0.26 0.00 -2.02 0.00 0.00 58.31 56.53 1a49 n LYS 805 Cb 0.54 -4.87 -0.01 0.00 -0.02 0.00 0.00 35.03 30.66 1a49 n LYS 805 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a49 s LYS 806 N -6.33 3.56 0.47 1.97 -0.14 -1.26 -4.66 119.74 113.34 1a49 s LYS 806 Ca 0.07 -0.04 -0.20 0.00 -1.36 0.00 0.00 55.97 54.44 1a49 s LYS 806 Cb -0.04 -2.55 -0.09 0.00 -1.68 0.00 0.00 37.83 33.47 1a49 s LYS 806 CO 0.86 0.05 1.00 0.20 -0.76 0.00 0.00 175.35 176.69 1a49 s GLY 807 N -3.79 2.44 0.05 -3.33 0.00 -1.26 -1.33 107.32 100.09 1a49 s GLY 807 Ca 0.44 0.51 0.08 0.00 0.00 0.00 0.00 44.72 45.75 1a49 s GLY 807 CO 0.37 0.81 -0.22 0.14 0.00 0.00 0.00 173.10 174.20 1a49 s VAL 808 N -2.09 1.79 0.00 1.40 1.01 -0.86 0.21 120.40 121.86 1a49 s VAL 808 Ca 0.65 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1a49 s VAL 808 Cb -0.13 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1a49 s VAL 808 CO 0.18 0.24 -0.07 0.20 0.00 0.00 0.00 175.10 175.65 1a49 s ASN 809 N -1.23 0.76 -0.68 3.32 0.01 -0.32 -4.54 114.94 112.27 1a49 s ASN 809 Ca 0.09 -0.17 0.05 0.00 -0.71 0.00 0.00 52.86 52.11 1a49 s ASN 809 Cb -0.09 -0.07 0.17 0.00 0.41 0.00 0.00 41.25 41.68 1a49 s ASN 809 CO 0.02 0.04 0.50 0.18 -1.51 0.00 0.00 177.10 176.33 1a49 n LEU 810 N 2.73 2.79 -4.66 0.60 4.32 -1.26 -1.70 117.00 119.82 1a49 n LEU 810 Ca -0.14 -5.16 -0.48 0.00 -0.02 0.00 0.00 56.01 50.20 1a49 n LEU 810 Cb 0.57 -0.65 -0.05 0.00 -1.62 0.00 0.00 43.42 41.68 1a49 n LEU 810 CO 0.25 1.78 1.21 -0.81 -1.22 0.00 0.00 177.39 178.60 1a49 n PRO 811 N 1.96 1.93 -0.95 3.23 -0.04 -1.26 -1.30 135.00 138.58 1a49 n PRO 811 Ca 0.21 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1a49 n PRO 811 Cb 0.36 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1a49 n PRO 811 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a49 n GLY 812 N 3.50 0.76 3.80 0.55 0.00 -1.26 -4.71 105.19 107.83 1a49 n GLY 812 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1a49 n GLY 812 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 813 N -2.99 3.48 -1.03 4.61 0.00 -0.42 -4.98 121.76 120.43 1a49 s ALA 813 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.01 1a49 s ALA 813 Cb 0.00 -2.80 0.21 0.00 0.00 0.00 0.00 23.12 20.53 1a49 s ALA 813 CO 0.00 0.34 1.11 0.00 0.00 0.00 0.00 175.76 177.21 1a49 s ALA 814 N -1.28 4.14 0.16 0.00 0.00 -1.26 -4.79 121.76 118.74 1a49 s ALA 814 Ca 0.36 -3.40 -0.31 0.00 0.00 0.00 0.00 51.96 48.62 1a49 s ALA 814 Cb -0.20 -3.78 -0.09 0.00 0.00 0.00 0.00 23.12 19.06 1a49 s ALA 814 CO 0.22 -2.51 1.36 0.14 0.00 0.00 0.00 175.76 174.98 1a49 s VAL 815 N 0.52 3.19 -0.64 0.00 -7.23 -1.26 -4.85 120.40 110.13 1a49 s VAL 815 Ca 0.31 0.91 0.11 0.00 -1.81 0.00 0.00 61.98 61.50 1a49 s VAL 815 Cb -0.07 -3.58 0.58 0.00 0.56 0.00 0.00 36.38 33.87 1a49 s VAL 815 CO -0.07 0.11 1.41 -0.90 -0.31 0.00 0.00 175.10 175.34 1a49 n ASP 816 N 3.25 4.27 -4.77 4.85 5.68 -1.26 -4.93 116.55 123.63 1a49 n ASP 816 Ca 0.09 -2.60 -0.36 0.00 -0.50 0.00 0.00 54.79 51.42 1a49 n ASP 816 Cb 0.42 -0.60 -0.01 0.00 -1.14 0.00 0.00 41.12 39.79 1a49 n ASP 816 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1a49 s LEU 817 N -1.89 3.93 0.77 -2.12 1.02 -1.26 -4.95 118.68 114.18 1a49 s LEU 817 Ca 0.39 2.26 -0.14 0.00 0.02 0.00 0.00 54.13 56.66 1a49 s LEU 817 Cb 0.29 -4.35 0.06 0.00 0.02 0.00 0.00 46.19 42.21 1a49 s LEU 817 CO 0.13 -1.01 1.22 -0.81 0.02 0.00 0.00 176.35 175.91 1a49 n PRO 818 N -0.74 0.41 -0.16 1.29 -0.04 -1.26 -4.91 135.00 129.58 1a49 n PRO 818 Ca 0.09 0.21 -0.04 0.00 -0.04 0.00 0.00 63.50 63.72 1a49 n PRO 818 Cb 0.49 -2.46 0.05 0.00 -0.04 0.00 0.00 33.50 31.54 1a49 n PRO 818 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a49 h ALA 819 N -0.56 0.62 -3.77 0.55 0.00 -1.92 -3.41 119.26 110.76 1a49 h ALA 819 Ca -0.47 0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.80 1a49 h ALA 819 Cb 1.31 -0.03 -0.32 0.00 0.00 0.00 0.00 17.79 18.75 1a49 h ALA 819 CO 0.48 -0.15 -0.88 0.14 0.00 0.00 0.00 179.25 178.84 1a49 s VAL 820 N -6.13 1.96 1.04 0.00 -7.23 -1.26 -4.59 120.40 104.19 1a49 s VAL 820 Ca -0.13 -1.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.89 1a49 s VAL 820 Cb 0.14 -1.68 0.21 0.00 0.56 0.00 0.00 36.38 35.61 1a49 s VAL 820 CO 0.73 0.54 1.15 -0.94 -0.31 0.00 0.00 175.10 176.27 1a49 s SER 821 N 0.04 2.34 0.20 4.85 1.04 -1.26 -4.83 113.70 116.08 1a49 s SER 821 Ca -0.09 0.78 -0.09 0.00 0.48 0.00 0.00 55.95 57.03 1a49 s SER 821 Cb -0.15 -1.17 0.12 0.00 0.10 0.00 0.00 66.02 64.92 1a49 s SER 821 CO 0.05 -3.26 1.74 -0.08 0.98 0.00 0.00 173.24 172.67 1a49 h GLU 822 N -1.99 1.09 -0.71 4.02 4.81 -1.99 -2.09 114.58 117.73 1a49 h GLU 822 Ca -0.49 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 58.51 1a49 h GLU 822 Cb 1.30 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1a49 h GLU 822 CO 0.48 0.93 0.41 -0.22 -0.73 0.00 0.00 179.01 179.87 1a49 h LYS 823 N 1.04 0.97 0.25 1.92 3.64 -1.98 -2.27 116.57 120.14 1a49 h LYS 823 Ca 0.23 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1a49 h LYS 823 Cb 0.28 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1a49 h LYS 823 CO -0.01 0.71 -0.44 -0.44 -2.27 0.00 0.00 179.45 177.00 1a49 h ASP 824 N 0.97 -1.25 -0.84 4.20 3.32 -1.76 0.16 116.42 121.22 1a49 h ASP 824 Ca 0.25 0.12 0.21 0.00 0.02 0.00 0.00 57.03 57.64 1a49 h ASP 824 Cb 0.00 0.45 -0.14 0.00 0.22 0.00 0.00 39.33 39.87 1a49 h ASP 824 CO -0.04 -0.54 0.19 0.40 -1.72 0.00 0.00 179.24 177.53 1a49 h ILE 825 N -0.76 0.35 -0.74 0.35 2.04 -1.04 0.67 117.51 118.39 1a49 h ILE 825 Ca -0.01 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 1a49 h ILE 825 Cb 0.73 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1a49 h ILE 825 CO -0.18 0.04 0.25 1.56 0.00 0.00 0.00 178.15 179.83 1a49 h GLN 826 N 0.21 1.13 -0.10 2.37 4.20 -0.82 -2.01 115.11 120.09 1a49 h GLN 826 Ca 0.51 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.84 1a49 h GLN 826 Cb 0.99 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1a49 h GLN 826 CO -0.64 0.95 -0.60 -0.44 -0.67 0.00 0.00 178.83 177.43 1a49 h ASP 827 N 1.08 0.36 -0.37 1.46 3.32 0.32 -2.03 116.42 120.57 1a49 h ASP 827 Ca 0.24 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1a49 h ASP 827 Cb 0.27 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1a49 h ASP 827 CO -0.01 0.88 0.14 -0.07 -1.72 0.00 0.00 179.24 178.45 1a49 h LEU 828 N 0.24 0.51 -1.34 1.55 3.38 -0.82 0.93 115.31 119.77 1a49 h LEU 828 Ca -0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1a49 h LEU 828 Cb 1.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1a49 h LEU 828 CO 0.10 0.55 0.05 0.11 0.09 0.00 0.00 178.44 179.33 1a49 h LYS 829 N 0.44 0.49 0.25 1.13 1.57 -1.29 0.29 116.57 119.47 1a49 h LYS 829 Ca 0.12 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1a49 h LYS 829 Cb 0.20 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1a49 h LYS 829 CO -0.01 0.48 -0.12 0.35 -0.57 0.00 0.00 179.45 179.58 1a49 h PHE 830 N 0.48 -0.32 -0.97 -1.35 3.57 -0.75 0.62 116.94 118.22 1a49 h PHE 830 Ca 0.11 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.74 1a49 h PHE 830 Cb 0.24 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.00 1a49 h PHE 830 CO 0.01 -0.07 0.61 0.78 -2.23 0.00 0.00 178.31 177.42 1a49 h GLY 831 N -0.53 1.54 0.99 2.40 0.00 0.20 0.47 103.07 108.15 1a49 h GLY 831 Ca -0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1a49 h GLY 831 CO 0.06 0.11 -0.02 -2.08 0.00 0.00 0.00 176.54 174.60 1a49 h VAL 832 N 0.87 0.96 -0.12 4.60 2.07 0.18 0.65 116.25 125.46 1a49 h VAL 832 Ca 0.50 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.98 1a49 h VAL 832 Cb 0.62 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1a49 h VAL 832 CO -0.27 0.01 0.01 -0.33 0.02 0.00 0.00 177.57 177.01 1a49 h GLU 833 N -0.08 0.16 0.00 1.57 4.39 0.16 0.14 114.58 120.92 1a49 h GLU 833 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1a49 h GLU 833 Cb 0.06 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1a49 h GLU 833 CO 0.01 0.17 0.00 1.04 -1.16 0.00 0.00 179.01 179.07 1a49 n GLN 834 N -4.45 0.13 -3.09 2.33 1.13 0.15 -4.96 117.38 108.64 1a49 n GLN 834 Ca -0.01 0.12 -0.13 0.00 -1.94 0.00 0.00 57.00 55.03 1a49 n GLN 834 Cb 0.13 -1.66 0.05 0.00 0.11 0.00 0.00 30.24 28.88 1a49 n GLN 834 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a49 n ASP 835 N -1.90 -3.81 -4.70 1.08 2.03 0.16 -5.00 116.55 104.41 1a49 n ASP 835 Ca 0.06 -0.35 -0.31 0.00 0.52 0.00 0.00 54.79 54.71 1a49 n ASP 835 Cb 0.38 -3.36 0.14 0.00 -0.72 0.00 0.00 41.12 37.57 1a49 n ASP 835 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1a49 s VAL 836 N -3.21 2.51 -0.11 5.18 -7.23 -0.81 -4.97 120.40 111.77 1a49 s VAL 836 Ca 0.24 0.17 0.15 0.00 -1.81 0.00 0.00 61.98 60.73 1a49 s VAL 836 Cb -0.11 -2.37 -0.23 0.00 0.56 0.00 0.00 36.38 34.24 1a49 s VAL 836 CO 0.46 -0.22 0.48 0.47 -0.31 0.00 0.00 175.10 175.98 1a49 n ASP 837 N -4.01 0.54 -3.99 4.85 8.00 -0.13 -4.89 116.55 116.92 1a49 n ASP 837 Ca 0.10 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.76 1a49 n ASP 837 Cb 0.53 0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 41.99 1a49 n ASP 837 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a49 s MET 838 N -2.65 1.53 -0.05 -1.24 0.23 -1.15 -1.91 119.30 114.06 1a49 s MET 838 Ca -0.06 -1.23 0.03 0.00 -1.03 0.00 0.00 55.69 53.39 1a49 s MET 838 Cb 0.08 0.47 0.01 0.00 -1.53 0.00 0.00 34.83 33.86 1a49 s MET 838 CO 0.83 -0.64 -0.12 0.08 -2.03 0.00 0.00 175.02 173.14 1a49 s VAL 839 N -4.01 1.08 -0.49 5.16 1.01 0.44 -1.77 120.40 121.82 1a49 s VAL 839 Ca 0.22 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1a49 s VAL 839 Cb -0.01 -0.97 0.07 0.00 0.00 0.00 0.00 36.38 35.47 1a49 s VAL 839 CO 0.08 0.34 0.49 -0.36 0.00 0.00 0.00 175.10 175.65 1a49 s PHE 840 N 0.47 3.16 -0.35 5.22 0.08 0.21 0.14 117.98 126.90 1a49 s PHE 840 Ca -0.10 -0.79 -0.21 0.00 0.12 0.00 0.00 56.93 55.94 1a49 s PHE 840 Cb -0.13 -3.35 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 1a49 s PHE 840 CO 0.03 -0.91 0.68 0.00 -0.10 0.00 0.00 175.22 174.92 1a49 s ALA 841 N 2.04 3.46 0.50 5.36 0.00 0.62 -1.76 121.76 131.98 1a49 s ALA 841 Ca 0.08 -0.76 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 1a49 s ALA 841 Cb -0.23 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1a49 s ALA 841 CO 0.08 -1.36 1.13 -1.12 0.00 0.00 0.00 175.76 174.50 1a49 s SER 842 N 1.79 6.00 -1.56 0.00 0.01 -1.26 -0.72 113.70 117.96 1a49 s SER 842 Ca 0.27 2.19 -0.04 0.00 1.31 0.00 0.00 55.95 59.67 1a49 s SER 842 Cb -0.14 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.51 1a49 s SER 842 CO 0.15 -1.03 0.47 0.33 0.41 0.00 0.00 173.24 173.58 1a49 n PHE 843 N -0.92 -1.78 -1.92 2.43 7.35 -1.25 -4.68 117.46 116.69 1a49 n PHE 843 Ca 0.10 0.41 -0.42 0.00 -0.76 0.00 0.00 57.45 56.78 1a49 n PHE 843 Cb 0.50 -4.23 -0.03 0.00 0.35 0.00 0.00 39.48 36.08 1a49 n PHE 843 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1a49 s ILE 844 N -3.12 3.09 -0.11 -2.13 -1.09 -0.93 -4.88 121.20 112.02 1a49 s ILE 844 Ca 0.25 0.49 0.03 0.00 -2.23 0.00 0.00 60.65 59.19 1a49 s ILE 844 Cb -0.11 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1a49 s ILE 844 CO 0.31 -0.01 0.12 0.54 -1.23 0.00 0.00 174.94 174.67 1a49 n ARG 845 N 5.81 4.59 -3.65 2.79 1.74 -1.26 -4.31 116.66 122.37 1a49 n ARG 845 Ca 0.16 -0.01 -0.02 0.00 -0.77 0.00 0.00 57.85 57.21 1a49 n ARG 845 Cb 0.41 -0.75 -0.01 0.00 -1.02 0.00 0.00 32.46 31.09 1a49 n ARG 845 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1a49 s LYS 846 N -1.51 0.75 0.20 5.56 0.00 -1.26 -4.18 119.74 119.29 1a49 s LYS 846 Ca 0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 55.97 55.49 1a49 s LYS 846 Cb 0.02 0.27 0.26 0.00 0.00 0.00 0.00 37.83 38.39 1a49 s LYS 846 CO 0.13 -0.34 1.74 0.00 0.00 0.00 0.00 175.35 176.88 1a49 h ALA 847 N 2.00 0.75 -1.02 0.59 0.00 -1.85 -1.93 119.26 117.80 1a49 h ALA 847 Ca -0.24 0.08 0.28 0.00 0.00 0.00 0.00 54.91 55.04 1a49 h ALA 847 Cb 1.21 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 1a49 h ALA 847 CO 0.27 -0.21 0.61 0.00 0.00 0.00 0.00 179.25 179.92 1a49 h ALA 848 N 1.41 1.95 -0.23 0.00 0.00 -1.96 0.62 119.26 121.05 1a49 h ALA 848 Ca 0.30 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.23 1a49 h ALA 848 Cb 0.37 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1a49 h ALA 848 CO -0.31 -0.47 -0.35 -0.44 0.00 0.00 0.00 179.25 177.68 1a49 h ASP 849 N 0.44 0.50 -0.44 0.00 3.32 -1.75 0.18 116.42 118.68 1a49 h ASP 849 Ca 0.68 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.48 1a49 h ASP 849 Cb 1.48 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 1a49 h ASP 849 CO -0.49 0.82 0.09 0.58 -1.72 0.00 0.00 179.24 178.51 1a49 h VAL 850 N 0.41 1.24 -0.58 -1.35 2.07 0.23 -2.37 116.25 115.90 1a49 h VAL 850 Ca 0.05 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1a49 h VAL 850 Cb 0.81 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1a49 h VAL 850 CO 0.07 0.30 0.36 0.45 0.02 0.00 0.00 177.57 178.76 1a49 h HIS 851 N 0.58 0.75 -0.69 1.57 3.86 -0.58 -0.63 115.15 120.02 1a49 h HIS 851 Ca 0.14 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1a49 h HIS 851 Cb 0.35 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 1a49 h HIS 851 CO 0.02 0.50 0.30 0.93 0.86 0.00 0.00 177.93 180.54 1a49 h GLU 852 N 0.80 1.01 -0.37 2.45 4.39 -0.38 -1.19 114.58 121.28 1a49 h GLU 852 Ca 0.21 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 1a49 h GLU 852 Cb -0.05 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1a49 h GLU 852 CO -0.04 0.82 -0.24 0.28 -1.16 0.00 0.00 179.01 178.68 1a49 h VAL 853 N 0.97 1.27 -0.52 3.13 2.07 -0.82 -2.67 116.25 119.68 1a49 h VAL 853 Ca 0.23 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1a49 h VAL 853 Cb 0.17 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1a49 h VAL 853 CO -0.02 0.45 0.31 -0.09 0.02 0.00 0.00 177.57 178.24 1a49 h ARG 854 N 0.65 0.71 -0.54 1.57 9.65 -0.75 -1.98 114.38 123.70 1a49 h ARG 854 Ca 0.09 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1a49 h ARG 854 Cb 0.74 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.14 1a49 h ARG 854 CO 0.06 0.52 0.35 -0.22 2.80 0.00 0.00 179.97 183.48 1a49 h LYS 855 N 0.70 0.69 -0.31 0.20 3.64 -1.06 0.11 116.57 120.54 1a49 h LYS 855 Ca 0.19 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1a49 h LYS 855 Cb -0.01 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1a49 h LYS 855 CO -0.03 0.46 0.05 0.82 -2.27 0.00 0.00 179.45 178.47 1a49 h ILE 856 N 0.71 1.24 -0.20 2.00 1.08 -1.23 -2.33 117.51 118.79 1a49 h ILE 856 Ca 0.20 -0.82 -0.04 0.00 -0.39 0.00 0.00 64.86 63.80 1a49 h ILE 856 Cb -0.07 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 1a49 h ILE 856 CO -0.05 0.27 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.54 1a49 h LEU 857 N 0.34 0.29 0.00 1.44 3.38 -1.05 -3.46 115.31 116.25 1a49 h LEU 857 Ca 0.09 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1a49 h LEU 857 Cb 0.35 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1a49 h LEU 857 CO 0.01 0.40 -0.06 0.61 0.09 0.00 0.00 178.44 179.49 1a49 n GLY 858 N -0.94 -0.61 0.31 0.83 0.00 0.37 -1.76 105.19 103.40 1a49 n GLY 858 Ca -0.00 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.55 1a49 n GLY 858 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a49 h GLU 859 N 0.00 0.58 -0.45 1.61 4.57 -1.88 0.21 114.58 119.23 1a49 h GLU 859 Ca 0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1a49 h GLU 859 Cb 0.15 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1a49 h GLU 859 CO 0.00 0.38 0.26 -0.22 -1.18 0.00 0.00 179.01 178.25 1a49 h LYS 860 N 0.60 0.60 -0.36 1.92 3.64 -1.97 -2.83 116.57 118.17 1a49 h LYS 860 Ca 0.49 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.69 1a49 h LYS 860 Cb 0.75 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 1a49 h LYS 860 CO -0.39 0.43 -0.00 0.41 -2.27 0.00 0.00 179.45 177.63 1a49 n GLY 861 N -1.37 4.55 0.17 5.01 0.00 0.52 -4.63 105.19 109.44 1a49 n GLY 861 Ca 0.04 -1.15 0.13 0.00 0.00 0.00 0.00 46.02 45.03 1a49 n GLY 861 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a49 h LYS 862 N 1.30 0.00 -0.28 1.61 2.10 -0.63 -0.67 116.57 120.00 1a49 h LYS 862 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1a49 h LYS 862 Cb 1.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.99 1a49 h LYS 862 CO 0.37 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.91 1a49 n ASN 863 N -2.37 2.42 -4.72 7.07 5.03 -1.26 -4.90 115.26 116.52 1a49 n ASN 863 Ca -0.00 -1.85 -0.41 0.00 0.87 0.00 0.00 54.58 53.19 1a49 n ASN 863 Cb 0.12 -0.18 -0.04 0.00 -1.02 0.00 0.00 39.78 38.65 1a49 n ASN 863 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a49 s ILE 864 N -1.64 4.82 -0.08 2.41 1.01 -0.26 -4.98 121.20 122.48 1a49 s ILE 864 Ca 0.34 1.78 -0.27 0.00 0.00 0.00 0.00 60.65 62.50 1a49 s ILE 864 Cb 0.19 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1a49 s ILE 864 CO 0.27 0.26 0.89 -0.54 0.00 0.00 0.00 174.94 175.83 1a49 s LYS 865 N 0.51 4.43 -0.28 2.79 -0.14 -0.80 -4.88 119.74 121.37 1a49 s LYS 865 Ca 0.44 1.19 -0.10 0.00 -1.36 0.00 0.00 55.97 56.14 1a49 s LYS 865 Cb -0.20 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.41 1a49 s LYS 865 CO 0.24 -0.16 0.15 0.42 -0.76 0.00 0.00 175.35 175.24 1a49 s ILE 866 N 1.49 4.88 -0.28 2.17 1.01 -1.26 0.17 121.20 129.38 1a49 s ILE 866 Ca 0.44 -0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.97 1a49 s ILE 866 Cb -0.18 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1a49 s ILE 866 CO 0.19 0.24 0.11 -0.63 0.00 0.00 0.00 174.94 174.85 1a49 s ILE 867 N 1.69 4.43 0.07 2.92 -1.09 0.12 -2.17 121.20 127.17 1a49 s ILE 867 Ca 0.06 -0.30 -0.25 0.00 -2.23 0.00 0.00 60.65 57.94 1a49 s ILE 867 Cb -0.16 -3.16 -0.06 0.00 -1.58 0.00 0.00 42.46 37.50 1a49 s ILE 867 CO 0.08 0.21 0.77 -0.44 -1.23 0.00 0.00 174.94 174.33 1a49 s SER 868 N 1.61 7.26 -0.30 3.58 0.01 -0.21 -0.28 113.70 125.38 1a49 s SER 868 Ca 0.05 1.50 -0.19 0.00 1.31 0.00 0.00 55.95 58.63 1a49 s SER 868 Cb -0.16 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1a49 s SER 868 CO 0.05 0.06 0.55 -0.54 0.41 0.00 0.00 173.24 173.76 1a49 s LYS 869 N -0.30 3.90 -0.37 12.44 1.02 0.11 -1.38 119.74 135.15 1a49 s LYS 869 Ca 0.38 0.19 -0.21 0.00 0.02 0.00 0.00 55.97 56.35 1a49 s LYS 869 Cb -0.21 -3.72 0.01 0.00 -0.52 0.00 0.00 37.83 33.39 1a49 s LYS 869 CO 0.24 -0.50 0.68 0.42 -0.92 0.00 0.00 175.35 175.27 1a49 s ILE 870 N 2.43 4.83 0.00 2.17 -1.09 -0.54 -2.20 121.20 126.80 1a49 s ILE 870 Ca 0.22 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 59.21 1a49 s ILE 870 Cb -0.15 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1a49 s ILE 870 CO 0.11 -0.40 0.59 -0.62 -1.23 0.00 0.00 174.94 173.38 1a49 n GLU 871 N 6.19 0.59 -3.82 2.79 1.02 -1.26 -1.96 120.64 124.20 1a49 n GLU 871 Ca -0.00 -0.68 -0.05 0.00 -0.02 0.00 0.00 57.16 56.40 1a49 n GLU 871 Cb 0.48 -0.60 -0.01 0.00 -0.02 0.00 0.00 31.44 31.29 1a49 n GLU 871 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1a49 s ASN 872 N -0.20 -0.19 0.18 1.62 4.22 -1.26 -3.20 114.94 116.11 1a49 s ASN 872 Ca 0.00 -0.57 -0.14 0.00 -2.14 0.00 0.00 52.86 50.01 1a49 s ASN 872 Cb 0.00 0.63 0.17 0.00 1.28 0.00 0.00 41.25 43.34 1a49 s ASN 872 CO 0.00 -1.18 1.70 0.45 -2.04 0.00 0.00 177.10 176.04 1a49 h HIS 873 N 2.00 0.07 -0.02 1.54 3.86 -1.92 -0.64 115.15 120.04 1a49 h HIS 873 Ca -0.22 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.05 1a49 h HIS 873 Cb 1.24 0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.70 1a49 h HIS 873 CO 0.53 -0.05 -0.34 1.49 0.86 0.00 0.00 177.93 180.42 1a49 h GLU 874 N 0.18 -0.46 -0.82 2.45 4.81 -1.91 0.77 114.58 119.60 1a49 h GLU 874 Ca 0.24 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.65 1a49 h GLU 874 Cb 0.34 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 29.72 1a49 h GLU 874 CO -0.35 -0.31 0.38 0.78 -0.73 0.00 0.00 179.01 178.78 1a49 h GLY 875 N -0.48 1.31 0.75 1.92 0.00 -1.69 0.78 103.07 105.66 1a49 h GLY 875 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1a49 h GLY 875 CO -0.29 -0.09 -0.02 -2.08 0.00 0.00 0.00 176.54 174.06 1a49 h VAL 876 N 0.52 1.28 0.00 4.60 2.07 0.93 -2.37 116.25 123.29 1a49 h VAL 876 Ca 0.46 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1a49 h VAL 876 Cb 0.69 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1a49 h VAL 876 CO -0.40 0.27 -0.19 0.03 0.02 0.00 0.00 177.57 177.31 1a49 h ARG 877 N -0.05 0.00 -0.49 1.57 3.08 0.26 -2.70 114.38 116.05 1a49 h ARG 877 Ca 0.04 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.86 1a49 h ARG 877 Cb 0.43 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.35 1a49 h ARG 877 CO 0.01 0.19 0.10 0.54 -1.07 0.00 0.00 179.97 179.74 1a49 n ARG 878 N -3.92 2.22 -0.29 0.04 1.74 0.25 -4.71 116.66 111.99 1a49 n ARG 878 Ca -0.02 -3.10 -0.03 0.00 -0.77 0.00 0.00 57.85 53.93 1a49 n ARG 878 Cb 0.28 -1.92 0.08 0.00 -1.02 0.00 0.00 32.46 29.88 1a49 n ARG 878 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a49 h PHE 879 N 1.25 0.99 -0.38 -1.55 3.57 -1.08 -2.44 116.94 117.30 1a49 h PHE 879 Ca 0.27 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.86 1a49 h PHE 879 Cb 1.91 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 40.26 1a49 h PHE 879 CO 1.08 0.60 0.01 -0.44 -2.23 0.00 0.00 178.31 177.33 1a49 h ASP 880 N 1.05 -0.13 -0.46 0.41 3.32 -1.85 0.24 116.42 119.00 1a49 h ASP 880 Ca 0.31 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.31 1a49 h ASP 880 Cb -0.06 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1a49 h ASP 880 CO -0.09 -0.03 -0.22 1.05 -1.72 0.00 0.00 179.24 178.24 1a49 h GLU 881 N 0.11 0.97 -0.55 3.56 4.11 -1.92 -1.94 114.58 118.92 1a49 h GLU 881 Ca 0.18 -0.42 0.03 0.00 0.07 0.00 0.00 59.36 59.23 1a49 h GLU 881 Cb 0.25 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1a49 h GLU 881 CO -0.30 1.09 0.31 0.82 0.07 0.00 0.00 179.01 181.00 1a49 h ILE 882 N 0.81 1.02 -0.18 -1.06 2.04 -0.92 0.10 117.51 119.32 1a49 h ILE 882 Ca 0.10 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1a49 h ILE 882 Cb 0.80 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1a49 h ILE 882 CO 0.07 0.11 -0.11 0.25 0.00 0.00 0.00 178.15 178.47 1a49 h LEU 883 N 0.61 -0.36 -0.86 1.44 6.46 -0.39 -0.34 115.31 121.87 1a49 h LEU 883 Ca 0.23 0.08 0.10 0.00 -0.12 0.00 0.00 57.88 58.17 1a49 h LEU 883 Cb 0.07 0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.12 1a49 h LEU 883 CO -0.12 -0.14 0.50 -0.08 -0.62 0.00 0.00 178.44 177.97 1a49 h GLU 884 N -0.10 0.81 0.00 1.25 4.22 -0.78 -1.63 114.58 118.34 1a49 h GLU 884 Ca 0.10 -0.05 -0.08 0.00 0.08 0.00 0.00 59.36 59.42 1a49 h GLU 884 Cb 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1a49 h GLU 884 CO -0.24 0.53 -0.37 0.00 -2.18 0.00 0.00 179.01 176.75 1a49 h ALA 885 N 1.47 0.84 -2.11 2.92 0.00 -0.68 -3.46 119.26 118.23 1a49 h ALA 885 Ca 0.41 -0.34 -0.46 0.00 0.00 0.00 0.00 54.91 54.52 1a49 h ALA 885 Cb 0.37 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 18.14 1a49 h ALA 885 CO -0.25 0.46 -0.02 -1.12 0.00 0.00 0.00 179.25 178.32 1a49 s SER 886 N -6.36 5.74 0.12 0.00 0.01 -0.17 -4.93 113.70 108.11 1a49 s SER 886 Ca 0.03 0.37 0.25 0.00 1.31 0.00 0.00 55.95 57.91 1a49 s SER 886 Cb 0.09 -1.54 0.48 0.00 0.21 0.00 0.00 66.02 65.26 1a49 s SER 886 CO 0.70 -0.82 1.44 0.47 0.41 0.00 0.00 173.24 175.44 1a49 n ASP 887 N -2.22 0.67 0.00 2.44 8.00 -0.92 -4.94 116.55 119.58 1a49 n ASP 887 Ca 0.03 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1a49 n ASP 887 Cb 0.58 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1a49 n ASP 887 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a49 n GLY 888 N 1.35 0.92 3.13 0.44 0.00 -1.18 -4.25 105.19 105.61 1a49 n GLY 888 Ca 0.04 -0.98 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 1a49 n GLY 888 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a49 s ILE 889 N -2.00 0.89 -0.15 -0.61 -1.09 -0.56 -1.04 121.20 116.65 1a49 s ILE 889 Ca 0.00 -1.20 0.01 0.00 -2.23 0.00 0.00 60.65 57.23 1a49 s ILE 889 Cb 0.00 -0.89 0.02 0.00 -1.58 0.00 0.00 42.46 40.01 1a49 s ILE 889 CO 0.00 -0.27 -0.17 -0.32 -1.23 0.00 0.00 174.94 172.95 1a49 s MET 890 N -1.65 2.53 -0.93 2.79 -2.45 -0.48 -0.32 119.30 118.80 1a49 s MET 890 Ca -0.05 -0.66 -0.23 0.00 -1.25 0.00 0.00 55.69 53.51 1a49 s MET 890 Cb -0.10 -2.22 0.06 0.00 1.25 0.00 0.00 34.83 33.83 1a49 s MET 890 CO 0.02 -0.18 1.32 0.08 1.05 0.00 0.00 175.02 177.31 1a49 s VAL 891 N 1.28 4.08 -1.22 10.11 1.01 0.23 -1.47 120.40 134.42 1a49 s VAL 891 Ca 0.02 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 1a49 s VAL 891 Cb -0.13 -4.95 0.00 0.00 0.00 0.00 0.00 36.38 31.29 1a49 s VAL 891 CO -0.09 -1.81 1.80 0.00 0.00 0.00 0.00 175.10 175.01 1a49 s ALA 892 N 4.57 2.63 0.40 5.51 0.00 -0.83 -2.88 121.76 131.16 1a49 s ALA 892 Ca 0.40 -2.53 0.07 0.00 0.00 0.00 0.00 51.96 49.90 1a49 s ALA 892 Cb -0.03 -4.65 0.84 0.00 0.00 0.00 0.00 23.12 19.28 1a49 s ALA 892 CO -0.04 -4.13 2.03 0.00 0.00 0.00 0.00 175.76 173.62 1a49 h ARG 893 N 8.69 0.50 0.00 0.00 3.08 -1.82 -1.52 114.38 123.31 1a49 h ARG 893 Ca 0.33 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1a49 h ARG 893 Cb 0.91 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1a49 h ARG 893 CO 1.36 0.37 0.00 0.41 -1.07 0.00 0.00 179.97 181.04 1a49 n GLY 894 N -1.37 -2.95 0.27 0.04 0.00 -1.26 0.67 105.19 100.58 1a49 n GLY 894 Ca 0.02 0.39 -0.08 0.00 0.00 0.00 0.00 46.02 46.36 1a49 n GLY 894 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a49 h ASP 895 N 0.00 0.82 -0.80 1.61 3.32 -1.85 -2.24 116.42 117.28 1a49 h ASP 895 Ca 0.00 -0.28 0.09 0.00 0.02 0.00 0.00 57.03 56.86 1a49 h ASP 895 Cb 0.00 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.26 1a49 h ASP 895 CO 0.00 0.99 0.45 0.25 -1.72 0.00 0.00 179.24 179.21 1a49 h LEU 896 N 0.72 0.65 -1.06 1.55 5.85 -1.04 1.73 115.31 123.71 1a49 h LEU 896 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1a49 h LEU 896 Cb 0.69 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1a49 h LEU 896 CO 0.05 0.38 0.00 1.23 -0.34 0.00 0.00 178.44 179.76 1a49 h GLY 897 N 0.77 0.00 0.19 3.75 0.00 0.63 0.40 103.07 108.82 1a49 h GLY 897 Ca 0.38 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.56 1a49 h GLY 897 CO -0.23 0.00 -0.79 -2.22 0.00 0.00 0.00 176.54 173.30 1a49 h ILE 898 N 0.00 1.32 0.22 2.60 2.04 0.39 -3.36 117.51 120.72 1a49 h ILE 898 Ca 0.00 -2.33 0.01 0.00 1.00 0.00 0.00 64.86 63.54 1a49 h ILE 898 Cb 0.54 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 39.46 1a49 h ILE 898 CO 0.00 0.55 -0.24 -0.33 0.00 0.00 0.00 178.15 178.13 1a49 h GLU 899 N -0.78 -0.48 -6.18 2.37 4.39 0.27 -3.44 114.58 110.74 1a49 h GLU 899 Ca -0.19 0.03 -0.52 0.00 0.34 0.00 0.00 59.36 59.02 1a49 h GLU 899 Cb 1.33 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 30.03 1a49 h GLU 899 CO -0.04 -0.32 -0.54 0.96 -1.16 0.00 0.00 179.01 177.92 1a49 s ILE 900 N -6.08 3.70 0.19 3.13 -4.36 0.14 -4.57 121.20 113.35 1a49 s ILE 900 Ca -0.16 -1.57 -0.33 0.00 -0.26 0.00 0.00 60.65 58.33 1a49 s ILE 900 Cb 0.07 -3.14 -0.13 0.00 1.25 0.00 0.00 42.46 40.51 1a49 s ILE 900 CO 0.65 -0.28 1.65 -2.65 0.24 0.00 0.00 174.94 174.55 1a49 n PRO 901 N -1.16 2.47 0.12 0.37 -0.02 -1.26 -4.46 135.00 131.06 1a49 n PRO 901 Ca -0.05 0.89 0.20 0.00 -2.02 0.00 0.00 63.50 62.52 1a49 n PRO 901 Cb 0.59 -2.70 0.74 0.00 -0.02 0.00 0.00 33.50 32.11 1a49 n PRO 901 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a49 h ALA 902 N 6.33 2.04 -0.00 3.55 0.00 -1.91 0.99 119.26 130.26 1a49 h ALA 902 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1a49 h ALA 902 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1a49 h ALA 902 CO 0.92 -0.65 -0.03 -0.85 0.00 0.00 0.00 179.25 178.64 1a49 n GLU 903 N -3.58 0.77 -0.00 0.00 0.00 -1.26 -3.41 120.64 113.16 1a49 n GLU 903 Ca 0.07 -0.12 0.06 0.00 0.00 0.00 0.00 57.16 57.17 1a49 n GLU 903 Cb 0.62 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.48 1a49 n GLU 903 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a49 n LYS 904 N -1.01 1.51 -0.32 3.44 5.02 0.34 -4.62 118.16 122.52 1a49 n LYS 904 Ca 0.18 -0.06 0.18 0.00 -2.02 0.00 0.00 58.31 56.58 1a49 n LYS 904 Cb 0.21 -1.21 0.38 0.00 -0.02 0.00 0.00 35.03 34.39 1a49 n LYS 904 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a49 h VAL 905 N 0.00 0.40 -0.74 -0.18 2.07 -1.57 -1.30 116.25 114.93 1a49 h VAL 905 Ca 0.00 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1a49 h VAL 905 Cb 0.46 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1a49 h VAL 905 CO 0.00 0.07 0.28 2.19 0.02 0.00 0.00 177.57 180.13 1a49 h PHE 906 N 0.38 1.12 -0.50 1.57 -5.15 -1.82 0.37 116.94 112.92 1a49 h PHE 906 Ca 0.64 -0.08 -0.02 0.00 -0.20 0.00 0.00 57.97 58.30 1a49 h PHE 906 Cb 1.32 -0.34 -0.02 0.00 0.22 0.00 0.00 35.95 37.13 1a49 h PHE 906 CO -0.09 0.86 0.22 -0.07 -2.00 0.00 0.00 178.31 177.23 1a49 h LEU 907 N 1.07 0.66 -0.74 2.10 3.38 -1.58 0.13 115.31 120.33 1a49 h LEU 907 Ca 0.25 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1a49 h LEU 907 Cb 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1a49 h LEU 907 CO -0.02 0.62 -0.28 0.00 0.09 0.00 0.00 178.44 178.85 1a49 h ALA 908 N 1.06 0.92 -0.32 1.53 0.00 -0.62 -1.13 119.26 120.72 1a49 h ALA 908 Ca 0.17 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1a49 h ALA 908 Cb 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a49 h ALA 908 CO -0.02 0.62 0.15 0.37 0.00 0.00 0.00 179.25 180.37 1a49 h GLN 909 N 0.55 0.46 -0.12 0.00 4.15 0.08 -1.72 115.11 118.51 1a49 h GLN 909 Ca 0.07 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 1a49 h GLN 909 Cb 0.77 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 1a49 h GLN 909 CO 0.06 0.43 -0.58 0.87 -1.93 0.00 0.00 178.83 177.68 1a49 h LYS 910 N 0.37 0.39 -0.19 1.69 1.57 -0.94 -1.22 116.57 118.24 1a49 h LYS 910 Ca 0.11 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1a49 h LYS 910 Cb 0.12 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1a49 h LYS 910 CO -0.01 0.86 0.11 1.98 -0.57 0.00 0.00 179.45 181.81 1a49 h MET 911 N 0.30 0.22 -0.24 3.15 4.05 -0.98 -1.59 114.93 119.85 1a49 h MET 911 Ca -0.00 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1a49 h MET 911 Cb 1.10 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 1a49 h MET 911 CO 0.10 0.15 -0.03 0.82 0.23 0.00 0.00 176.91 178.18 1a49 h ILE 912 N 0.23 1.27 -0.23 1.77 2.04 -1.29 -1.59 117.51 119.71 1a49 h ILE 912 Ca 0.07 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1a49 h ILE 912 Cb -0.00 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1a49 h ILE 912 CO -0.04 0.30 0.15 0.40 0.00 0.00 0.00 178.15 178.97 1a49 h ILE 913 N 0.19 1.06 -0.12 -0.67 2.04 -1.14 -1.07 117.51 117.79 1a49 h ILE 913 Ca 0.06 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1a49 h ILE 913 Cb 0.46 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1a49 h ILE 913 CO 0.02 0.06 0.03 1.23 0.00 0.00 0.00 178.15 179.49 1a49 h GLY 914 N 0.31 0.14 1.59 5.37 0.00 -1.15 0.42 103.07 109.74 1a49 h GLY 914 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1a49 h GLY 914 CO -0.02 0.01 -0.05 3.21 0.00 0.00 0.00 176.54 179.69 1a49 h ARG 915 N 0.08 0.50 -0.26 4.80 3.08 -1.17 0.12 114.38 121.54 1a49 h ARG 915 Ca 0.05 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1a49 h ARG 915 Cb 0.04 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1a49 h ARG 915 CO -0.07 0.57 -0.28 0.00 -1.07 0.00 0.00 179.97 179.12 1a49 h ASN 917 N 0.37 0.48 -0.69 0.00 -0.26 0.02 0.93 115.58 116.44 1a49 h ASN 917 Ca 0.04 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1a49 h ASN 917 Cb 0.85 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 38.02 1a49 h ASN 917 CO 0.07 0.31 0.44 -0.09 -1.06 0.00 0.00 177.43 177.10 1a49 h ARG 918 N 0.62 0.93 -0.01 0.81 2.43 -0.71 -2.40 114.38 116.06 1a49 h ARG 918 Ca 0.28 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1a49 h ARG 918 Cb 0.19 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1a49 h ARG 918 CO -0.19 0.64 -0.29 0.00 -1.51 0.00 0.00 179.97 178.63 1a49 n ALA 919 N -2.43 3.14 -2.41 2.80 0.00 -0.26 -4.86 120.51 116.49 1a49 n ALA 919 Ca 0.07 -0.44 -0.14 0.00 0.00 0.00 0.00 53.44 52.93 1a49 n ALA 919 Cb 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1a49 n ALA 919 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a49 n GLY 920 N 1.35 -0.19 3.68 0.00 0.00 0.16 -5.01 105.19 105.18 1a49 n GLY 920 Ca 0.12 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1a49 n GLY 920 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a49 s LYS 921 N -4.88 2.94 0.57 1.61 1.02 -0.61 -4.95 119.74 115.44 1a49 s LYS 921 Ca 0.06 -0.45 -0.20 0.00 0.02 0.00 0.00 55.97 55.40 1a49 s LYS 921 Cb -0.03 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1a49 s LYS 921 CO 0.07 0.69 1.29 -2.14 -0.92 0.00 0.00 175.35 174.34 1a49 s PRO 922 N -1.02 3.04 -0.02 -1.68 0.02 -1.26 -4.42 135.00 129.66 1a49 s PRO 922 Ca 0.15 2.05 -0.01 0.00 0.02 0.00 0.00 61.00 63.20 1a49 s PRO 922 Cb -0.11 -2.10 0.01 0.00 0.02 0.00 0.00 34.50 32.31 1a49 s PRO 922 CO 0.04 -1.21 0.05 0.54 -0.33 0.00 0.00 177.00 176.08 1a49 s VAL 923 N -1.42 -0.01 -0.09 3.83 0.11 -1.26 -1.49 120.40 120.08 1a49 s VAL 923 Ca 0.75 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.85 1a49 s VAL 923 Cb -0.36 -0.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1a49 s VAL 923 CO 0.41 0.01 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.40 1a49 s ILE 924 N 0.19 2.87 -0.24 7.04 1.01 0.57 -0.41 121.20 132.22 1a49 s ILE 924 Ca -0.01 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 1a49 s ILE 924 Cb -0.02 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 1a49 s ILE 924 CO -0.01 0.56 0.14 0.00 0.00 0.00 0.00 174.94 175.64 1a49 s ALA 926 N 1.19 1.09 0.00 0.00 0.00 -1.14 -1.42 121.76 121.48 1a49 s ALA 926 Ca 0.07 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1a49 s ALA 926 Cb -0.14 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1a49 s ALA 926 CO 0.05 -0.36 0.00 2.41 0.00 0.00 0.00 175.76 177.86 1a49 n THR 927 N -0.14 -1.63 -1.03 0.00 -1.04 -1.26 -3.54 114.28 105.63 1a49 n THR 927 Ca -0.08 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.92 1a49 n THR 927 Cb 0.63 -1.79 -0.00 0.00 -1.82 0.00 0.00 70.33 67.35 1a49 n THR 927 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a49 n GLN 928 N 0.56 -1.05 -0.23 -2.82 6.02 -1.26 -4.77 117.38 113.82 1a49 n GLN 928 Ca 0.00 0.33 0.02 0.00 -0.01 0.00 0.00 57.00 57.35 1a49 n GLN 928 Cb 0.00 -4.16 0.14 0.00 1.02 0.00 0.00 30.24 27.24 1a49 n GLN 928 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a49 h MET 929 N 0.41 0.43 -0.17 -1.09 2.86 -1.88 -3.06 114.93 112.44 1a49 h MET 929 Ca -0.02 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.41 1a49 h MET 929 Cb 0.56 -0.10 -0.26 0.00 0.06 0.00 0.00 31.60 31.87 1a49 h MET 929 CO 0.03 0.28 -0.83 1.28 1.06 0.00 0.00 176.91 178.74 1a49 n LEU 930 N -4.99 2.23 -0.35 1.22 4.77 -1.26 -4.56 117.00 114.06 1a49 n LEU 930 Ca 0.11 -3.20 0.01 0.00 -0.03 0.00 0.00 56.01 52.90 1a49 n LEU 930 Cb 0.33 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1a49 n LEU 930 CO 0.21 1.12 0.55 1.21 -1.33 0.00 0.00 177.39 179.15 1a49 n GLU 931 N -0.40 -0.19 -0.24 3.23 4.07 -1.16 1.00 120.64 126.96 1a49 n GLU 931 Ca 0.16 1.42 0.32 0.00 -0.06 0.00 0.00 57.16 59.00 1a49 n GLU 931 Cb 0.91 -2.11 0.72 0.00 -0.06 0.00 0.00 31.44 30.90 1a49 n GLU 931 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1a49 h SER 932 N 0.00 0.00 0.00 4.31 4.64 -1.92 0.13 113.55 120.71 1a49 h SER 932 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1a49 h SER 932 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1a49 h SER 932 CO -0.92 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.27 1a49 n MET 933 N -3.98 0.68 0.18 4.77 2.81 0.28 -2.15 117.12 119.71 1a49 n MET 933 Ca 0.22 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.14 1a49 n MET 933 Cb 1.17 -1.42 0.35 0.00 -0.71 0.00 0.00 33.22 32.61 1a49 n MET 933 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a49 h ILE 934 N 0.00 1.24 0.00 2.02 2.04 -0.87 -3.33 117.51 118.61 1a49 h ILE 934 Ca 0.00 -1.37 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 1a49 h ILE 934 Cb 0.00 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1a49 h ILE 934 CO 0.00 0.39 -1.50 0.29 0.00 0.00 0.00 178.15 177.33 1a49 n LYS 935 N -4.01 1.37 -4.37 2.37 4.76 -1.00 -0.63 118.16 116.63 1a49 n LYS 935 Ca -0.02 -0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.07 1a49 n LYS 935 Cb 0.43 -1.22 -0.11 0.00 -1.84 0.00 0.00 35.03 32.29 1a49 n LYS 935 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a49 s LYS 936 N -2.44 2.12 0.50 1.97 1.02 -0.91 -4.92 119.74 117.08 1a49 s LYS 936 Ca -0.04 -1.00 0.32 0.00 0.02 0.00 0.00 55.97 55.28 1a49 s LYS 936 Cb 0.04 -2.28 1.30 0.00 -0.52 0.00 0.00 37.83 36.38 1a49 s LYS 936 CO 0.37 0.52 1.94 -1.00 -0.92 0.00 0.00 175.35 176.26 1a49 h PRO 937 N 3.96 0.00 -4.41 -1.68 0.13 -1.91 -3.39 132.00 124.71 1a49 h PRO 937 Ca -0.49 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.18 1a49 h PRO 937 Cb 1.16 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.97 1a49 h PRO 937 CO 0.50 0.00 -0.79 1.03 -0.23 0.00 0.00 178.00 178.51 1a49 s ARG 938 N -3.61 1.23 1.10 0.86 0.52 -1.26 -4.89 118.95 112.90 1a49 s ARG 938 Ca 0.02 -0.29 -0.18 0.00 -0.52 0.00 0.00 55.73 54.75 1a49 s ARG 938 Cb 0.09 -1.09 0.26 0.00 0.52 0.00 0.00 34.95 34.73 1a49 s ARG 938 CO 0.52 0.02 1.25 -1.25 0.02 0.00 0.00 175.30 175.86 1a49 s PRO 939 N 0.60 -0.46 0.79 3.54 0.04 -1.26 -4.81 135.00 133.44 1a49 s PRO 939 Ca -0.10 -0.38 -0.11 0.00 0.04 0.00 0.00 61.00 60.45 1a49 s PRO 939 Cb -0.13 -1.71 0.09 0.00 0.04 0.00 0.00 34.50 32.78 1a49 s PRO 939 CO 0.02 -3.15 1.14 0.95 0.04 0.00 0.00 177.00 176.00 1a49 s THR 940 N -3.56 2.08 0.18 1.26 -4.23 -1.26 -4.91 115.64 105.20 1a49 s THR 940 Ca 0.75 -0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 61.12 1a49 s THR 940 Cb -0.05 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.74 1a49 s THR 940 CO 0.55 0.00 1.48 0.03 -0.54 0.00 0.00 174.62 176.14 1a49 h ARG 941 N -0.97 0.62 -0.54 3.99 2.47 -1.99 -1.81 114.38 116.14 1a49 h ARG 941 Ca -0.45 -0.39 -0.04 0.00 -1.26 0.00 0.00 59.98 57.84 1a49 h ARG 941 Cb 1.32 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.66 1a49 h ARG 941 CO 0.61 1.01 0.18 0.00 0.56 0.00 0.00 179.97 182.33 1a49 h ALA 942 N 0.91 1.31 -0.50 0.04 0.00 -1.98 0.59 119.26 119.62 1a49 h ALA 942 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1a49 h ALA 942 Cb 1.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1a49 h ALA 942 CO 0.11 0.50 0.32 0.93 0.00 0.00 0.00 179.25 181.11 1a49 h GLU 943 N 0.78 0.68 -0.73 0.00 5.08 -1.67 0.33 114.58 119.05 1a49 h GLU 943 Ca 0.18 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 1a49 h GLU 943 Cb 0.21 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1a49 h GLU 943 CO -0.01 0.47 0.27 0.78 -1.00 0.00 0.00 179.01 179.52 1a49 h GLY 944 N 0.68 1.18 0.98 -3.84 0.00 -0.52 -2.52 103.07 99.03 1a49 h GLY 944 Ca 0.18 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1a49 h GLY 944 CO -0.04 0.61 0.20 0.23 0.00 0.00 0.00 176.54 177.55 1a49 h SER 945 N 1.07 0.40 -0.10 0.19 0.87 0.09 -2.81 113.55 113.27 1a49 h SER 945 Ca 0.24 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1a49 h SER 945 Cb 0.24 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1a49 h SER 945 CO -0.02 0.34 0.02 -0.78 -0.53 0.00 0.00 176.83 175.86 1a49 h ASP 946 N 0.43 0.00 -0.87 6.23 3.58 0.05 -1.13 116.42 124.71 1a49 h ASP 946 Ca 0.12 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.59 1a49 h ASP 946 Cb 0.02 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 1a49 h ASP 946 CO -0.02 0.02 0.57 0.58 -2.88 0.00 0.00 179.24 177.50 1a49 h VAL 947 N 0.06 1.23 -0.52 2.25 2.07 -1.45 -0.21 116.25 119.68 1a49 h VAL 947 Ca 0.04 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 1a49 h VAL 947 Cb 0.04 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1a49 h VAL 947 CO -0.06 0.22 0.03 0.00 0.02 0.00 0.00 177.57 177.78 1a49 h ALA 948 N 1.31 0.69 -0.27 1.67 0.00 -1.27 -2.16 119.26 119.24 1a49 h ALA 948 Ca 0.32 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1a49 h ALA 948 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1a49 h ALA 948 CO -0.07 0.48 -0.38 -0.91 0.00 0.00 0.00 179.25 178.37 1a49 h ASN 949 N 0.76 0.65 0.22 0.00 -0.26 -0.91 0.32 115.58 116.36 1a49 h ASN 949 Ca 0.15 -0.28 0.01 0.00 -0.56 0.00 0.00 56.30 55.62 1a49 h ASN 949 Cb 0.48 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 1a49 h ASN 949 CO 0.02 0.97 -0.29 0.00 -1.06 0.00 0.00 177.43 177.06 1a49 h ALA 950 N 1.07 -0.56 -0.43 -0.83 0.00 -0.99 0.80 119.26 118.31 1a49 h ALA 950 Ca 0.05 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1a49 h ALA 950 Cb 0.89 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1a49 h ALA 950 CO 0.08 -0.86 0.15 0.28 0.00 0.00 0.00 179.25 178.89 1a49 h VAL 951 N -0.57 0.85 -0.70 0.00 2.07 -0.86 -1.69 116.25 115.36 1a49 h VAL 951 Ca 0.01 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1a49 h VAL 951 Cb 0.55 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1a49 h VAL 951 CO -0.11 0.06 0.47 -0.07 0.02 0.00 0.00 177.57 177.93 1a49 h LEU 952 N 0.31 0.80 -1.24 2.57 4.07 0.07 -2.11 115.31 119.78 1a49 h LEU 952 Ca 0.20 -0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.19 1a49 h LEU 952 Cb 0.20 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 1a49 h LEU 952 CO -0.21 0.58 0.53 0.44 -1.08 0.00 0.00 178.44 178.70 1a49 h ASP 953 N 0.95 0.83 0.00 -0.43 3.32 0.16 -3.46 116.42 117.79 1a49 h ASP 953 Ca 0.26 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1a49 h ASP 953 Cb -0.11 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.26 1a49 h ASP 953 CO -0.06 0.56 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 1a49 n GLY 954 N -1.42 0.05 3.65 2.75 0.00 -0.79 -4.64 105.19 104.79 1a49 n GLY 954 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 1a49 n GLY 954 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 n ALA 955 N 0.00 0.80 0.07 4.61 0.00 -1.08 -4.90 120.51 120.02 1a49 n ALA 955 Ca 0.00 0.43 -0.19 0.00 0.00 0.00 0.00 53.44 53.68 1a49 n ALA 955 Cb 0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.10 1a49 n ALA 955 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a49 h ASP 956 N 4.45 0.77 -4.70 0.00 5.19 -1.05 -3.45 116.42 117.63 1a49 h ASP 956 Ca -0.45 -0.66 -0.23 0.00 -0.62 0.00 0.00 57.03 55.07 1a49 h ASP 956 Cb 1.28 -0.24 -0.17 0.00 0.18 0.00 0.00 39.33 40.38 1a49 h ASP 956 CO 0.78 1.47 -0.71 0.00 -3.12 0.00 0.00 179.24 177.66 1a49 s ILE 958 N -2.81 2.06 0.17 0.00 -4.36 0.11 -1.93 121.20 114.44 1a49 s ILE 958 Ca 0.03 -2.18 0.07 0.00 -0.26 0.00 0.00 60.65 58.31 1a49 s ILE 958 Cb -0.00 -2.08 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 1a49 s ILE 958 CO -0.03 -0.41 -0.14 -0.32 0.24 0.00 0.00 174.94 174.28 1a49 s MET 959 N -3.28 1.19 -0.07 0.37 1.75 -0.51 -1.01 119.30 117.74 1a49 s MET 959 Ca 0.23 -1.46 0.01 0.00 -1.25 0.00 0.00 55.69 53.22 1a49 s MET 959 Cb -0.04 -0.98 0.02 0.00 2.84 0.00 0.00 34.83 36.67 1a49 s MET 959 CO 0.10 0.17 -0.08 -0.51 -0.65 0.00 0.00 175.02 174.04 1a49 s LEU 960 N -3.01 1.38 0.00 4.11 1.43 0.74 -4.33 118.68 119.00 1a49 s LEU 960 Ca 0.17 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1a49 s LEU 960 Cb -0.02 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.50 1a49 s LEU 960 CO 0.04 -0.04 0.00 -1.20 0.23 0.00 0.00 176.35 175.38 1a49 n SER 961 N 4.24 0.00 -0.33 2.29 7.64 -1.26 -0.15 113.62 126.04 1a49 n SER 961 Ca -0.20 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.79 1a49 n SER 961 Cb 0.51 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 64.03 1a49 n SER 961 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a49 h GLY 962 N 0.00 1.56 -0.22 0.23 0.00 -1.98 -0.61 103.07 102.06 1a49 h GLY 962 Ca 0.00 -0.36 0.25 0.00 0.00 0.00 0.00 47.33 47.22 1a49 h GLY 962 CO 0.00 0.05 0.52 0.83 0.00 0.00 0.00 176.54 177.94 1a49 h GLU 963 N 0.81 0.47 0.00 4.80 3.07 -1.89 -0.87 114.58 120.96 1a49 h GLU 963 Ca 0.52 -0.03 -0.20 0.00 -0.50 0.00 0.00 59.36 59.15 1a49 h GLU 963 Cb 0.75 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.52 1a49 h GLU 963 CO -0.29 0.31 -2.01 0.25 -1.40 0.00 0.00 179.01 175.86 1a49 n THR 964 N -4.97 0.75 -0.02 1.13 -2.24 -0.37 -3.62 114.28 104.93 1a49 n THR 964 Ca 0.26 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1a49 n THR 964 Cb 0.75 -0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.54 1a49 n THR 964 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 h ALA 965 N 1.07 0.05 0.00 6.98 0.00 -0.85 -3.25 119.26 123.25 1a49 h ALA 965 Ca -0.30 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1a49 h ALA 965 Cb 1.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1a49 h ALA 965 CO 0.02 -0.18 -0.46 0.36 0.00 0.00 0.00 179.25 178.99 1a49 n LYS 966 N -4.79 3.01 -0.68 0.00 2.85 -0.57 0.44 118.16 118.41 1a49 n LYS 966 Ca -0.08 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.86 1a49 n LYS 966 Cb 0.28 -0.73 0.17 0.00 -0.65 0.00 0.00 35.03 34.10 1a49 n LYS 966 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a49 n GLY 967 N 1.24 -2.12 0.06 2.58 0.00 -0.44 -4.64 105.19 101.86 1a49 n GLY 967 Ca 0.00 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.32 1a49 n GLY 967 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a49 n ASP 968 N -2.28 0.53 -3.00 1.61 8.00 0.19 -4.34 116.55 117.26 1a49 n ASP 968 Ca 0.04 0.43 -0.21 0.00 0.71 0.00 0.00 54.79 55.75 1a49 n ASP 968 Cb 0.58 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 1a49 n ASP 968 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a49 n TYR 969 N -1.95 1.81 -0.09 1.24 4.01 -1.26 -4.94 117.16 115.98 1a49 n TYR 969 Ca 0.06 -3.72 -0.06 0.00 -0.16 0.00 0.00 57.90 54.01 1a49 n TYR 969 Cb 0.40 -0.42 0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1a49 n TYR 969 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a49 h PRO 970 N 2.96 0.14 -0.17 -0.72 0.13 -1.75 -1.48 132.00 131.11 1a49 h PRO 970 Ca 0.10 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.15 1a49 h PRO 970 Cb 0.83 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1a49 h PRO 970 CO 0.63 0.09 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.21 1a49 h LEU 971 N 0.15 0.29 -0.58 1.56 3.38 -1.92 -2.21 115.31 115.98 1a49 h LEU 971 Ca 0.15 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1a49 h LEU 971 Cb 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1a49 h LEU 971 CO -0.22 0.52 -0.47 -0.33 0.09 0.00 0.00 178.44 178.04 1a49 h GLU 972 N 0.27 0.60 -0.41 1.13 3.07 -1.82 -1.14 114.58 116.28 1a49 h GLU 972 Ca 0.05 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.55 1a49 h GLU 972 Cb 0.54 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 1a49 h GLU 972 CO 0.04 0.94 0.18 0.00 -1.40 0.00 0.00 179.01 178.77 1a49 h ALA 973 N 1.01 0.54 0.40 3.43 0.00 -0.87 -0.12 119.26 123.65 1a49 h ALA 973 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1a49 h ALA 973 Cb 0.99 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1a49 h ALA 973 CO 0.09 0.12 -0.27 0.28 0.00 0.00 0.00 179.25 179.48 1a49 h VAL 974 N 0.52 0.45 -0.94 0.00 2.07 -1.16 -0.28 116.25 116.90 1a49 h VAL 974 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.72 1a49 h VAL 974 Cb 0.16 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 1a49 h VAL 974 CO -0.01 0.00 0.60 0.03 0.02 0.00 0.00 177.57 178.21 1a49 h ARG 975 N -0.65 1.06 0.06 1.57 3.08 -1.19 0.13 114.38 118.43 1a49 h ARG 975 Ca -0.04 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1a49 h ARG 975 Cb 0.54 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1a49 h ARG 975 CO 0.03 0.70 -0.07 1.98 -1.07 0.00 0.00 179.97 181.54 1a49 h MET 976 N 1.09 -0.15 -0.84 0.04 4.05 -0.73 0.89 114.93 119.28 1a49 h MET 976 Ca 0.41 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.91 1a49 h MET 976 Cb 0.17 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.95 1a49 h MET 976 CO -0.17 -0.10 0.55 1.96 0.23 0.00 0.00 176.91 179.37 1a49 h GLN 977 N -0.16 0.89 -0.07 0.39 4.20 0.28 -1.50 115.11 119.15 1a49 h GLN 977 Ca 0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1a49 h GLN 977 Cb 0.16 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1a49 h GLN 977 CO -0.03 0.59 0.04 1.25 -0.67 0.00 0.00 178.83 180.01 1a49 h HIS 978 N 0.92 0.09 -0.14 2.96 2.76 0.27 -0.77 115.15 121.24 1a49 h HIS 978 Ca 0.36 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.57 1a49 h HIS 978 Cb 0.23 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 1a49 h HIS 978 CO -0.00 0.09 -0.09 -0.07 -1.30 0.00 0.00 177.93 176.56 1a49 h LEU 979 N 0.06 -0.28 -0.32 0.26 3.38 0.06 -2.77 115.31 115.70 1a49 h LEU 979 Ca 0.03 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1a49 h LEU 979 Cb 0.03 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1a49 h LEU 979 CO -0.00 -0.12 0.09 0.40 0.09 0.00 0.00 178.44 178.90 1a49 h ILE 980 N -0.09 1.21 -0.89 1.22 2.04 -1.15 -3.01 117.51 116.85 1a49 h ILE 980 Ca 0.08 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.26 1a49 h ILE 980 Cb 0.21 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1a49 h ILE 980 CO -0.19 0.24 0.59 0.00 0.00 0.00 0.00 178.15 178.78 1a49 h ALA 981 N 0.93 1.14 -0.23 1.87 0.00 -0.96 0.83 119.26 122.84 1a49 h ALA 981 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1a49 h ALA 981 Cb 0.27 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1a49 h ALA 981 CO -0.00 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.75 1a49 h ARG 982 N 1.19 0.06 -0.13 0.00 3.08 -1.48 0.76 114.38 117.85 1a49 h ARG 982 Ca 0.33 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 1a49 h ARG 982 Cb -0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1a49 h ARG 982 CO -0.08 0.04 0.08 0.93 -1.07 0.00 0.00 179.97 179.86 1a49 h GLU 983 N 0.06 0.18 -0.75 0.04 4.39 -1.25 -2.67 114.58 114.58 1a49 h GLU 983 Ca 0.11 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1a49 h GLU 983 Cb 0.14 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1a49 h GLU 983 CO -0.19 0.18 0.33 0.00 -1.16 0.00 0.00 179.01 178.18 1a49 h ALA 984 N 0.99 1.17 -0.93 3.43 0.00 -0.16 -2.76 119.26 121.00 1a49 h ALA 984 Ca 0.05 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1a49 h ALA 984 Cb 0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 1a49 h ALA 984 CO -0.01 0.61 0.60 0.93 0.00 0.00 0.00 179.25 181.39 1a49 h GLU 985 N 1.08 0.95 -0.09 0.00 5.08 0.83 -1.19 114.58 121.24 1a49 h GLU 985 Ca 0.26 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 1a49 h GLU 985 Cb 0.15 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1a49 h GLU 985 CO -0.03 0.63 -0.58 0.00 -1.00 0.00 0.00 179.01 178.03 1a49 h ALA 986 N 1.53 0.84 0.00 3.43 0.00 -1.21 -2.91 119.26 120.93 1a49 h ALA 986 Ca 0.42 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a49 h ALA 986 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1a49 h ALA 986 CO -0.18 0.71 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1a49 n ALA 987 N -2.48 2.40 -1.74 0.00 0.00 -0.47 -4.58 120.51 113.63 1a49 n ALA 987 Ca -0.02 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 1a49 n ALA 987 Cb 0.60 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.93 1a49 n ALA 987 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a49 s MET 988 N -2.00 3.40 -1.20 0.00 -1.94 -1.08 -4.94 119.30 111.54 1a49 s MET 988 Ca 0.13 0.90 -0.06 0.00 -1.71 0.00 0.00 55.69 54.95 1a49 s MET 988 Cb 0.06 -2.05 0.21 0.00 2.01 0.00 0.00 34.83 35.06 1a49 s MET 988 CO 0.10 -0.73 1.91 0.34 -0.01 0.00 0.00 175.02 176.63 1a49 n PHE 989 N -2.63 2.64 -0.27 -0.03 7.35 -1.26 -4.87 117.46 118.39 1a49 n PHE 989 Ca 0.07 -2.70 0.06 0.00 -0.76 0.00 0.00 57.45 54.11 1a49 n PHE 989 Cb 0.54 -1.63 0.16 0.00 0.35 0.00 0.00 39.48 38.90 1a49 n PHE 989 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1a49 h HIS 990 N 5.13 -0.09 -0.51 -5.13 3.86 -1.92 -0.12 115.15 116.37 1a49 h HIS 990 Ca 0.45 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.72 1a49 h HIS 990 Cb 0.49 0.16 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 1a49 h HIS 990 CO 1.30 -0.27 0.34 -0.09 0.86 0.00 0.00 177.93 180.06 1a49 h ARG 991 N 0.08 0.68 -0.28 2.45 1.12 -1.91 0.87 114.38 117.39 1a49 h ARG 991 Ca 0.43 -0.04 -0.16 0.00 -1.11 0.00 0.00 59.98 59.10 1a49 h ARG 991 Cb 0.76 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.56 1a49 h ARG 991 CO -0.71 0.45 -0.47 -0.22 -3.11 0.00 0.00 179.97 175.91 1a49 h LYS 992 N 0.69 0.74 0.87 0.20 3.64 -1.73 -2.37 116.57 118.62 1a49 h LYS 992 Ca 0.19 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 1a49 h LYS 992 Cb -0.07 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1a49 h LYS 992 CO -0.04 1.05 -0.42 1.25 -2.27 0.00 0.00 179.45 179.02 1a49 h LEU 993 N 0.59 -0.99 -0.74 5.20 5.85 -0.36 -1.35 115.31 123.50 1a49 h LEU 993 Ca 0.03 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.92 1a49 h LEU 993 Cb 1.03 0.26 -0.14 0.00 0.37 0.00 0.00 40.66 42.18 1a49 h LEU 993 CO 0.10 -0.66 -0.26 0.15 -0.34 0.00 0.00 178.44 177.43 1a49 h PHE 994 N -1.27 -0.63 -0.77 1.25 3.04 -0.94 0.19 116.94 117.80 1a49 h PHE 994 Ca -0.12 0.07 0.11 0.00 3.98 0.00 0.00 57.97 62.01 1a49 h PHE 994 Cb 0.90 0.39 -0.08 0.00 2.56 0.00 0.00 35.95 39.73 1a49 h PHE 994 CO -0.00 -0.36 0.40 0.93 -2.02 0.00 0.00 178.31 177.26 1a49 h GLU 995 N -0.05 0.63 -0.21 1.11 5.08 -1.30 0.81 114.58 120.65 1a49 h GLU 995 Ca 0.33 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.55 1a49 h GLU 995 Cb 0.57 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1a49 h GLU 995 CO -0.78 0.41 -0.28 0.93 -1.00 0.00 0.00 179.01 178.30 1a49 h GLU 996 N 0.64 0.55 0.05 2.33 5.08 0.22 -2.80 114.58 120.65 1a49 h GLU 996 Ca 0.39 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1a49 h GLU 996 Cb 0.44 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1a49 h GLU 996 CO -0.29 0.92 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.54 1a49 h LEU 997 N 0.23 -0.06 -0.91 1.33 3.38 -0.36 -1.52 115.31 117.41 1a49 h LEU 997 Ca 0.02 -0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.17 1a49 h LEU 997 Cb 0.85 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.50 1a49 h LEU 997 CO 0.07 -0.01 0.45 0.00 0.09 0.00 0.00 178.44 179.03 1a49 h ALA 998 N 0.86 1.47 -0.26 1.53 0.00 -0.80 0.52 119.26 122.58 1a49 h ALA 998 Ca -0.01 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1a49 h ALA 998 Cb 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1a49 h ALA 998 CO 0.01 -0.25 -0.34 -0.09 0.00 0.00 0.00 179.25 178.58 1a49 h ARG 999 N 0.51 0.56 -0.23 0.00 2.43 -1.24 -1.12 114.38 115.29 1a49 h ARG 999 Ca 0.55 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 59.40 1a49 h ARG 999 Cb 0.98 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1a49 h ARG 999 CO -0.47 0.83 -0.15 0.66 -1.51 0.00 0.00 179.97 179.33 1a49 h SER 1000N 0.48 0.38 0.03 -3.80 4.64 0.10 -2.84 113.55 112.53 1a49 h SER 1000Ca 0.05 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1a49 h SER 1000Cb 0.82 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1a49 h SER 1000CO 0.07 0.55 -0.22 -1.54 -0.87 0.00 0.00 176.83 174.82 1a49 n SER 1001N -4.21 2.06 0.30 4.97 3.41 -0.40 -4.57 113.62 115.18 1a49 n SER 1001Ca 0.00 -1.55 0.06 0.00 -0.26 0.00 0.00 58.87 57.12 1a49 n SER 1001Cb 0.32 0.20 0.31 0.00 -0.26 0.00 0.00 64.21 64.78 1a49 n SER 1001CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a49 h SER 1002N 2.89 0.00 0.92 4.04 4.64 -0.96 -0.89 113.55 124.19 1a49 h SER 1002Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1a49 h SER 1002Cb 0.75 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1a49 h SER 1002CO 0.00 0.00 -0.09 0.45 -0.87 0.00 0.00 176.83 176.32 1a49 h HIS 1003N 0.00 0.00 -3.03 4.77 3.86 -1.83 -3.43 115.15 115.48 1a49 h HIS 1003Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1a49 h HIS 1003Cb 1.37 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.74 1a49 h HIS 1003CO 0.00 0.09 -0.56 0.45 0.86 0.00 0.00 177.93 178.77 1a49 s SER 1004N -5.90 5.75 -0.18 2.45 0.15 -0.34 -4.98 113.70 110.66 1a49 s SER 1004Ca 0.01 0.25 0.16 0.00 0.70 0.00 0.00 55.95 57.06 1a49 s SER 1004Cb 0.10 -1.72 0.40 0.00 -1.71 0.00 0.00 66.02 63.09 1a49 s SER 1004CO 0.58 0.35 1.27 0.35 1.20 0.00 0.00 173.24 176.98 1a49 n THR 1005N 1.75 2.12 -1.49 6.45 -2.24 -1.26 -5.05 114.28 114.56 1a49 n THR 1005Ca -0.17 -2.40 -0.39 0.00 -2.27 0.00 0.00 64.05 58.82 1a49 n THR 1005Cb 0.54 -0.25 0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1a49 n THR 1005CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a49 n ASP 1006N -1.13 -0.66 0.14 3.42 -0.08 -1.26 -4.89 116.55 112.10 1a49 n ASP 1006Ca 0.20 0.79 -0.24 0.00 -1.51 0.00 0.00 54.79 54.02 1a49 n ASP 1006Cb 0.76 -1.20 -0.16 0.00 2.34 0.00 0.00 41.12 42.86 1a49 n ASP 1006CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1a49 h LEU 1007N 0.43 0.82 -0.74 -2.67 3.38 -1.99 -2.79 115.31 111.75 1a49 h LEU 1007Ca -0.45 -0.89 -0.06 0.00 0.09 0.00 0.00 57.88 56.57 1a49 h LEU 1007Cb 1.39 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1a49 h LEU 1007CO 0.49 1.70 0.25 -0.03 0.09 0.00 0.00 178.44 180.94 1a49 h MET 1008N 0.14 1.14 -0.83 1.13 4.05 -1.92 0.19 114.93 118.83 1a49 h MET 1008Ca -0.26 -0.24 0.03 0.00 -0.28 0.00 0.00 59.70 58.96 1a49 h MET 1008Cb 2.16 -0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 32.75 1a49 h MET 1008CO 0.27 0.96 0.53 0.93 0.23 0.00 0.00 176.91 179.83 1a49 h GLU 1009N 1.09 1.01 -0.34 0.39 5.08 -1.94 0.73 114.58 120.60 1a49 h GLU 1009Ca 0.24 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1a49 h GLU 1009Cb 0.29 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1a49 h GLU 1009CO -0.01 0.67 0.10 0.00 -1.00 0.00 0.00 179.01 178.76 1a49 h ALA 1010N 1.34 0.44 -0.90 3.43 0.00 -1.17 0.32 119.26 122.73 1a49 h ALA 1010Ca 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1a49 h ALA 1010Cb -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1a49 h ALA 1010CO -0.11 0.09 0.53 0.52 0.00 0.00 0.00 179.25 180.28 1a49 h MET 1011N 0.39 1.23 0.17 0.00 2.86 -0.05 0.11 114.93 119.63 1a49 h MET 1011Ca 0.11 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1a49 h MET 1011Cb 0.27 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1a49 h MET 1011CO -0.00 0.87 -0.08 0.00 1.06 0.00 0.00 176.91 178.76 1a49 h ALA 1012N 1.34 -0.22 0.16 6.32 0.00 0.11 -1.42 119.26 125.55 1a49 h ALA 1012Ca 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1a49 h ALA 1012Cb -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1a49 h ALA 1012CO -0.06 -0.53 -0.09 0.52 0.00 0.00 0.00 179.25 179.10 1a49 h MET 1013N -0.42 -0.23 -0.76 0.00 2.86 -0.17 -2.21 114.93 114.00 1a49 h MET 1013Ca -0.02 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.74 1a49 h MET 1013Cb 0.33 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 31.96 1a49 h MET 1013CO 0.04 -0.15 0.39 0.78 1.06 0.00 0.00 176.91 179.02 1a49 h GLY 1014N -0.24 1.17 1.08 8.32 0.00 -0.99 -1.36 103.07 111.05 1a49 h GLY 1014Ca -0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 1a49 h GLY 1014CO 0.03 0.04 -0.22 1.76 0.00 0.00 0.00 176.54 178.15 1a49 h SER 1015N 0.63 0.98 -0.19 0.19 0.02 -1.09 -1.62 113.55 112.46 1a49 h SER 1015Ca 0.38 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1a49 h SER 1015Cb 0.44 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1a49 h SER 1015CO -0.29 1.16 -0.09 0.58 -1.14 0.00 0.00 176.83 177.05 1a49 h VAL 1016N 0.79 1.31 -0.45 2.27 2.07 -1.14 -0.76 116.25 120.33 1a49 h VAL 1016Ca 0.10 -1.14 0.09 0.00 0.82 0.00 0.00 66.70 66.58 1a49 h VAL 1016Cb 0.79 1.64 -0.09 0.00 -1.52 0.00 0.00 31.29 32.11 1a49 h VAL 1016CO 0.07 0.34 -0.17 -0.08 0.02 0.00 0.00 177.57 177.75 1a49 h GLU 1017N 0.10 -0.07 -0.05 1.57 4.57 -1.27 0.11 114.58 119.54 1a49 h GLU 1017Ca 0.04 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1a49 h GLU 1017Cb 0.57 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1a49 h GLU 1017CO 0.03 -0.04 -0.22 0.00 -1.18 0.00 0.00 179.01 177.60 1a49 h ALA 1018N 1.31 1.55 -0.07 2.92 0.00 -1.18 0.01 119.26 123.81 1a49 h ALA 1018Ca 0.22 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1a49 h ALA 1018Cb 0.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1a49 h ALA 1018CO -0.50 0.33 -0.47 0.66 0.00 0.00 0.00 179.25 179.27 1a49 h SER 1019N 0.08 0.18 0.21 0.00 4.64 0.48 -1.87 113.55 117.27 1a49 h SER 1019Ca 0.01 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1a49 h SER 1019Cb 0.43 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1a49 h SER 1019CO 0.03 0.63 -0.10 1.88 -0.87 0.00 0.00 176.83 178.40 1a49 h TYR 1020N 0.14 -0.26 -0.68 4.77 0.05 0.08 0.25 116.97 121.32 1a49 h TYR 1020Ca 0.01 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.92 1a49 h TYR 1020Cb 0.89 0.08 -0.13 0.00 1.01 0.00 0.00 36.73 38.59 1a49 h TYR 1020CO 0.01 0.13 -0.11 -0.22 -1.05 0.00 0.00 178.16 176.92 1a49 h LYS 1021N -0.75 0.03 -0.55 4.88 1.63 -0.87 -0.80 116.57 120.15 1a49 h LYS 1021Ca -0.03 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1a49 h LYS 1021Cb 0.50 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1a49 h LYS 1021CO 0.05 0.02 0.00 0.00 -3.45 0.00 0.00 179.45 176.07 1a49 n LEU 1023N 1.45 -2.85 -4.51 0.00 4.77 0.63 -4.90 117.00 111.58 1a49 n LEU 1023Ca 0.21 -0.94 -0.33 0.00 -0.03 0.00 0.00 56.01 54.91 1a49 n LEU 1023Cb 0.59 -2.46 0.12 0.00 -2.33 0.00 0.00 43.42 39.34 1a49 n LEU 1023CO 0.15 0.42 0.21 0.00 -1.33 0.00 0.00 177.39 176.85 1a49 n ALA 1024N -4.24 -1.67 0.92 -1.18 0.00 0.15 -4.89 120.51 109.60 1a49 n ALA 1024Ca -0.22 -0.49 0.11 0.00 0.00 0.00 0.00 53.44 52.84 1a49 n ALA 1024Cb 0.65 -1.95 0.13 0.00 0.00 0.00 0.00 19.45 18.28 1a49 n ALA 1024CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 n ALA 1025N -3.45 3.77 -3.68 0.00 0.00 0.05 -4.73 120.51 112.47 1a49 n ALA 1025Ca 0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.12 1a49 n ALA 1025Cb 0.52 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 1a49 n ALA 1025CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 s ALA 1026N -3.04 -1.96 -0.12 0.00 0.00 -1.26 -4.28 121.76 111.10 1a49 s ALA 1026Ca 0.09 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.49 1a49 s ALA 1026Cb 0.17 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.80 1a49 s ALA 1026CO 0.75 -1.04 -0.04 -0.51 0.00 0.00 0.00 175.76 174.92 1a49 s LEU 1027N -2.95 1.13 -0.29 0.00 1.43 -0.54 -1.43 118.68 116.03 1a49 s LEU 1027Ca 0.13 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 1a49 s LEU 1027Cb 0.02 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 1a49 s LEU 1027CO -0.01 -0.16 0.29 -0.63 0.23 0.00 0.00 176.35 176.07 1a49 s ILE 1028N 1.77 5.23 -0.16 -0.59 1.01 0.04 0.99 121.20 129.50 1a49 s ILE 1028Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.99 1a49 s ILE 1028Cb -0.13 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.72 1a49 s ILE 1028CO -0.07 0.15 -0.13 -0.69 0.00 0.00 0.00 174.94 174.20 1a49 s VAL 1029N 1.92 1.57 -0.24 2.92 1.01 -0.87 0.86 120.40 127.56 1a49 s VAL 1029Ca 0.11 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 1a49 s VAL 1029Cb -0.16 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1a49 s VAL 1029CO 0.11 0.39 0.47 -0.76 0.00 0.00 0.00 175.10 175.30 1a49 s LEU 1030N 1.47 4.08 0.07 3.92 1.02 -1.06 -1.53 118.68 126.65 1a49 s LEU 1030Ca 0.04 0.49 -0.15 0.00 0.02 0.00 0.00 54.13 54.53 1a49 s LEU 1030Cb -0.14 -2.60 0.03 0.00 0.02 0.00 0.00 46.19 43.51 1a49 s LEU 1030CO -0.10 -0.22 0.36 0.28 0.02 0.00 0.00 176.35 176.69 1a49 s THR 1031N 2.01 0.08 -0.04 5.49 -1.32 -0.67 -4.76 115.64 116.43 1a49 s THR 1031Ca 0.20 -0.62 -0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1a49 s THR 1031Cb -0.15 -1.05 -0.02 0.00 -1.51 0.00 0.00 72.50 69.76 1a49 s THR 1031CO 0.09 -0.34 -0.03 -0.62 -2.21 0.00 0.00 174.62 171.50 1a49 n GLU 1032N 0.24 0.09 0.05 7.08 -0.58 -1.26 -4.01 120.64 122.24 1a49 n GLU 1032Ca -0.17 0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.45 1a49 n GLU 1032Cb 0.61 -1.01 -0.14 0.00 -0.57 0.00 0.00 31.44 30.33 1a49 n GLU 1032CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a49 h SER 1033N -0.02 0.25 0.00 1.62 4.64 -1.97 -3.43 113.55 114.65 1a49 h SER 1033Ca -0.08 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1a49 h SER 1033Cb 1.12 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1a49 h SER 1033CO -0.02 1.29 0.00 0.61 -0.87 0.00 0.00 176.83 177.84 1a49 n GLY 1034N 1.58 0.36 0.15 -0.77 0.00 -1.26 -4.87 105.19 100.38 1a49 n GLY 1034Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1a49 n GLY 1034CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a49 h ARG 1035N 3.58 -0.14 -0.75 1.61 2.43 -1.96 0.26 114.38 119.40 1a49 h ARG 1035Ca 0.00 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 1a49 h ARG 1035Cb 0.00 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.49 1a49 h ARG 1035CO 0.00 -0.10 0.30 0.77 -1.51 0.00 0.00 179.97 179.43 1a49 h SER 1036N -0.15 0.27 -0.32 -3.80 0.02 -1.93 0.53 113.55 108.17 1a49 h SER 1036Ca 0.05 0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1a49 h SER 1036Cb 0.22 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1a49 h SER 1036CO -0.14 0.10 -0.22 0.00 -1.14 0.00 0.00 176.83 175.44 1a49 h ALA 1037N 1.55 0.85 -0.70 3.77 0.00 -1.77 -2.89 119.26 120.07 1a49 h ALA 1037Ca 0.41 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1a49 h ALA 1037Cb 0.63 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1a49 h ALA 1037CO -0.40 0.64 0.25 0.45 0.00 0.00 0.00 179.25 180.18 1a49 h HIS 1038N 0.71 1.10 -0.73 0.00 -0.00 0.35 -2.08 115.15 114.49 1a49 h HIS 1038Ca 0.10 -0.10 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 1a49 h HIS 1038Cb 0.74 -0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 27.79 1a49 h HIS 1038CO 0.04 0.87 0.49 1.96 -0.00 0.00 0.00 177.93 181.28 1a49 h GLN 1039N 1.02 0.91 -0.01 2.45 7.50 -0.64 -2.79 115.11 123.54 1a49 h GLN 1039Ca 0.23 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.32 1a49 h GLN 1039Cb 0.26 -0.21 -0.00 0.00 0.05 0.00 0.00 27.48 27.59 1a49 h GLN 1039CO -0.01 0.60 -0.01 0.28 -1.50 0.00 0.00 178.83 178.19 1a49 h VAL 1040N 0.94 1.35 -0.82 -0.54 2.07 -1.21 -3.25 116.25 114.79 1a49 h VAL 1040Ca 0.28 -1.04 0.20 0.00 0.82 0.00 0.00 66.70 66.96 1a49 h VAL 1040Cb -0.02 2.03 -0.14 0.00 -1.52 0.00 0.00 31.29 31.64 1a49 h VAL 1040CO -0.07 0.27 0.12 0.00 0.02 0.00 0.00 177.57 177.91 1a49 h ALA 1041N 0.57 1.02 0.00 1.67 0.00 -1.23 0.24 119.26 121.52 1a49 h ALA 1041Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1a49 h ALA 1041Cb 0.45 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1a49 h ALA 1041CO 0.00 -0.44 -0.00 -0.09 0.00 0.00 0.00 179.25 178.72 1a49 h ARG 1042N 0.16 0.00 -0.21 0.00 2.43 -1.53 0.22 114.38 115.45 1a49 h ARG 1042Ca 0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1a49 h ARG 1042Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1a49 h ARG 1042CO -0.66 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 178.46 1a49 n TYR 1043N -3.65 0.26 -3.49 2.20 4.01 0.83 -4.98 117.16 112.34 1a49 n TYR 1043Ca -0.03 -0.13 -0.15 0.00 -0.16 0.00 0.00 57.90 57.43 1a49 n TYR 1043Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1a49 n TYR 1043CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a49 n ARG 1044N 0.54 -1.45 -0.90 -0.72 5.12 0.78 -4.71 116.66 115.31 1a49 n ARG 1044Ca 0.16 1.06 -0.29 0.00 -1.93 0.00 0.00 57.85 56.85 1a49 n ARG 1044Cb 0.38 -3.71 0.24 0.00 -1.16 0.00 0.00 32.46 28.20 1a49 n ARG 1044CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a49 s PRO 1045N -4.16 -1.13 -0.15 5.56 0.04 -1.26 -4.93 135.00 128.97 1a49 s PRO 1045Ca 0.00 0.22 0.13 0.00 0.04 0.00 0.00 61.00 61.39 1a49 s PRO 1045Cb -0.00 -1.58 -0.24 0.00 0.04 0.00 0.00 34.50 32.72 1a49 s PRO 1045CO 0.84 -3.71 0.27 2.89 0.04 0.00 0.00 177.00 177.32 1a49 n ARG 1046N -4.81 0.67 -2.31 4.56 1.85 -1.26 -4.93 116.66 110.44 1a49 n ARG 1046Ca 0.10 0.13 -0.33 0.00 -1.00 0.00 0.00 57.85 56.75 1a49 n ARG 1046Cb 0.58 -1.63 -0.02 0.00 -1.05 0.00 0.00 32.46 30.35 1a49 n ARG 1046CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1a49 s ALA 1047N -2.53 2.93 0.54 2.89 0.00 -1.26 -5.01 121.76 119.32 1a49 s ALA 1047Ca -0.11 0.30 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 1a49 s ALA 1047Cb 0.07 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1a49 s ALA 1047CO 0.80 -0.43 1.24 -1.25 0.00 0.00 0.00 175.76 176.13 1a49 s PRO 1048N -3.96 3.26 -0.52 0.00 0.04 -1.26 -4.76 135.00 127.80 1a49 s PRO 1048Ca 0.61 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 63.47 1a49 s PRO 1048Cb -0.13 -2.18 0.13 0.00 0.04 0.00 0.00 34.50 32.37 1a49 s PRO 1048CO 0.31 -1.01 0.44 0.42 0.04 0.00 0.00 177.00 177.20 1a49 s ILE 1049N -1.48 4.74 -0.50 0.56 1.01 0.12 -1.47 121.20 124.17 1a49 s ILE 1049Ca 0.71 -1.71 -0.23 0.00 0.00 0.00 0.00 60.65 59.43 1a49 s ILE 1049Cb -0.33 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.11 1a49 s ILE 1049CO 0.38 -0.83 0.84 -0.63 0.00 0.00 0.00 174.94 174.70 1a49 s ILE 1050N 1.39 4.56 -0.26 2.92 1.01 0.28 0.46 121.20 131.55 1a49 s ILE 1050Ca 0.05 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 1a49 s ILE 1050Cb -0.27 -4.42 -0.01 0.00 0.01 0.00 0.00 42.46 37.77 1a49 s ILE 1050CO 0.01 -0.90 0.06 0.00 0.00 0.00 0.00 174.94 174.11 1a49 s ALA 1051N 3.52 3.09 -0.18 9.38 0.00 -0.46 -2.05 121.76 135.05 1a49 s ALA 1051Ca 0.29 -1.23 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 1a49 s ALA 1051Cb -0.13 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 1a49 s ALA 1051CO 0.20 -0.62 0.29 0.08 0.00 0.00 0.00 175.76 175.72 1a49 s VAL 1052N 1.57 5.30 0.06 0.00 1.01 -0.58 -0.88 120.40 126.87 1a49 s VAL 1052Ca 0.05 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 1a49 s VAL 1052Cb -0.16 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1a49 s VAL 1052CO 0.02 0.36 0.08 0.28 0.00 0.00 0.00 175.10 175.84 1a49 s THR 1053N 0.68 0.17 -1.67 3.92 -1.32 -0.34 -1.67 115.64 115.42 1a49 s THR 1053Ca 0.16 -1.44 0.20 0.00 -1.21 0.00 0.00 61.69 59.40 1a49 s THR 1053Cb -0.13 -1.34 -0.05 0.00 -1.51 0.00 0.00 72.50 69.47 1a49 s THR 1053CO 0.04 -0.79 0.98 0.54 -2.21 0.00 0.00 174.62 173.17 1a49 n ARG 1054N 0.15 1.21 -3.22 7.08 1.74 -1.26 -0.05 116.66 122.31 1a49 n ARG 1054Ca -0.15 -0.75 -0.44 0.00 -0.77 0.00 0.00 57.85 55.74 1a49 n ARG 1054Cb 0.61 -1.41 -0.07 0.00 -1.02 0.00 0.00 32.46 30.57 1a49 n ARG 1054CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a49 s ASN 1055N -2.41 6.22 0.42 0.55 3.84 -1.26 -4.84 114.94 117.47 1a49 s ASN 1055Ca 0.15 -0.84 0.10 0.00 0.21 0.00 0.00 52.86 52.48 1a49 s ASN 1055Cb 0.16 -2.26 0.94 0.00 -0.55 0.00 0.00 41.25 39.53 1a49 s ASN 1055CO 0.58 -0.77 2.04 0.45 -2.79 0.00 0.00 177.10 176.60 1a49 h HIS 1056N 8.89 0.46 0.03 0.43 3.86 -1.94 -0.38 115.15 126.50 1a49 h HIS 1056Ca -0.27 0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 58.71 1a49 h HIS 1056Cb 1.10 -0.16 0.01 0.00 1.06 0.00 0.00 27.41 29.42 1a49 h HIS 1056CO 0.70 0.27 -1.02 0.37 0.86 0.00 0.00 177.93 179.11 1a49 h GLN 1057N 0.48 0.43 -0.81 2.45 4.15 -1.96 -0.88 115.11 118.97 1a49 h GLN 1057Ca 0.19 -0.51 -0.04 0.00 0.77 0.00 0.00 58.65 59.06 1a49 h GLN 1057Cb 0.14 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1a49 h GLN 1057CO -0.05 1.17 0.35 1.15 -1.93 0.00 0.00 178.83 179.52 1a49 h THR 1058N 0.23 1.26 0.21 2.39 2.02 -1.58 0.66 112.91 118.11 1a49 h THR 1058Ca -0.10 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1a49 h THR 1058Cb 1.68 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1a49 h THR 1058CO 0.18 0.33 -0.10 0.00 0.37 0.00 0.00 175.52 176.30 1a49 h ALA 1059N 1.19 -0.29 -0.49 6.16 0.00 -1.05 -1.35 119.26 123.42 1a49 h ALA 1059Ca 0.27 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1a49 h ALA 1059Cb 0.18 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1a49 h ALA 1059CO -0.03 -0.61 0.23 0.00 0.00 0.00 0.00 179.25 178.85 1a49 h ARG 1060N -0.40 0.44 0.00 0.00 3.08 -0.84 -2.04 114.38 114.63 1a49 h ARG 1060Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1a49 h ARG 1060Cb 0.30 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1a49 h ARG 1060CO 0.05 0.29 -0.06 1.96 -1.07 0.00 0.00 179.97 181.14 1a49 h GLN 1061N 0.45 0.00 -0.36 0.04 4.20 -0.68 -3.17 115.11 115.59 1a49 h GLN 1061Ca 0.22 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.04 1a49 h GLN 1061Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1a49 h GLN 1061CO -0.17 0.06 0.30 0.00 -0.67 0.00 0.00 178.83 178.35 1a49 h ALA 1062N 1.94 2.20 -0.03 3.87 0.00 -0.48 -0.29 119.26 126.47 1a49 h ALA 1062Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a49 h ALA 1062Cb 0.46 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a49 h ALA 1062CO 0.01 -0.49 0.04 0.45 0.00 0.00 0.00 179.25 179.26 1a49 h HIS 1063N 0.00 0.00 0.00 0.00 3.86 -1.70 0.16 115.15 117.46 1a49 h HIS 1063Ca 0.17 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1a49 h HIS 1063Cb 0.77 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.24 1a49 h HIS 1063CO 0.00 0.00 -0.01 -0.07 0.86 0.00 0.00 177.93 178.71 1a49 h LEU 1064N 0.00 0.00 -9.41 2.43 -0.00 -1.29 -3.41 115.31 103.63 1a49 h LEU 1064Ca 0.01 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.22 1a49 h LEU 1064Cb 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 40.64 1a49 h LEU 1064CO -0.00 0.01 -0.58 -0.31 -0.00 0.00 0.00 178.44 177.56 1a49 s TYR 1065N -4.30 3.28 0.17 1.13 1.51 0.54 -4.59 117.35 115.10 1a49 s TYR 1065Ca -0.05 0.28 -0.31 0.00 -1.01 0.00 0.00 57.07 55.98 1a49 s TYR 1065Cb 0.14 -1.82 -0.10 0.00 -0.11 0.00 0.00 41.96 40.07 1a49 s TYR 1065CO 0.47 0.55 1.51 0.50 -1.11 0.00 0.00 175.55 177.47 1a49 s ARG 1066N -1.04 4.25 0.00 -0.62 6.06 -1.26 -2.78 118.95 123.56 1a49 s ARG 1066Ca 0.15 2.30 0.00 0.00 -2.50 0.00 0.00 55.73 55.68 1a49 s ARG 1066Cb -0.12 -3.16 0.00 0.00 0.06 0.00 0.00 34.95 31.73 1a49 s ARG 1066CO 0.04 -0.54 0.00 0.41 -2.50 0.00 0.00 175.30 172.72 1a49 n GLY 1067N 3.38 2.59 3.67 8.12 0.00 -0.42 -4.70 105.19 117.83 1a49 n GLY 1067Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1a49 n GLY 1067CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a49 s ILE 1068N -2.21 4.74 -0.43 -0.61 1.01 -1.12 0.10 121.20 122.68 1a49 s ILE 1068Ca 0.00 2.01 -0.00 0.00 0.00 0.00 0.00 60.65 62.66 1a49 s ILE 1068Cb 0.00 -4.30 0.12 0.00 0.01 0.00 0.00 42.46 38.29 1a49 s ILE 1068CO 0.00 -0.08 0.20 0.12 0.00 0.00 0.00 174.94 175.19 1a49 s PHE 1069N 2.55 3.57 0.26 3.97 2.19 0.17 -4.62 117.98 126.07 1a49 s PHE 1069Ca 0.46 -2.70 -0.30 0.00 0.33 0.00 0.00 56.93 54.72 1a49 s PHE 1069Cb -0.17 -3.10 -0.09 0.00 -1.31 0.00 0.00 43.02 38.35 1a49 s PHE 1069CO 0.12 -0.92 1.23 -1.25 1.83 0.00 0.00 175.22 176.23 1a49 s PRO 1070N 0.75 4.47 -0.09 10.12 0.04 -1.26 -1.36 135.00 147.66 1a49 s PRO 1070Ca 0.11 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 1a49 s PRO 1070Cb -0.22 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.19 1a49 s PRO 1070CO -0.05 -0.08 -0.00 0.08 0.04 0.00 0.00 177.00 176.99 1a49 s VAL 1071N -0.62 0.46 -0.05 -0.36 1.01 -0.06 -4.69 120.40 116.09 1a49 s VAL 1071Ca 0.50 -0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.21 1a49 s VAL 1071Cb -0.36 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1a49 s VAL 1071CO 0.43 0.21 0.83 -0.69 0.00 0.00 0.00 175.10 175.87 1a49 s VAL 1072N 1.93 4.96 -0.40 2.92 1.01 -1.26 -1.20 120.40 128.37 1a49 s VAL 1072Ca 0.04 1.72 -0.19 0.00 0.00 0.00 0.00 61.98 63.55 1a49 s VAL 1072Cb -0.13 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1a49 s VAL 1072CO -0.06 0.19 0.56 0.00 0.00 0.00 0.00 175.10 175.79 1a49 n LYS 1074N 5.94 2.56 -3.56 0.00 5.02 -1.26 -4.49 118.16 122.36 1a49 n LYS 1074Ca -0.04 -2.42 -0.27 0.00 -2.02 0.00 0.00 58.31 53.56 1a49 n LYS 1074Cb 0.48 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1a49 n LYS 1074CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a49 s ASP 1075N -1.00 6.40 0.99 4.39 1.01 -1.26 -5.09 116.67 122.10 1a49 s ASP 1075Ca 0.45 0.50 -0.15 0.00 0.71 0.00 0.00 52.55 54.06 1a49 s ASP 1075Cb 0.23 -2.05 0.19 0.00 1.01 0.00 0.00 42.92 42.30 1a49 s ASP 1075CO 0.31 -0.11 1.20 -2.84 0.21 0.00 0.00 175.17 173.94 1a49 s PRO 1076N -3.47 0.48 0.09 8.23 0.02 -1.26 -5.03 135.00 134.06 1a49 s PRO 1076Ca 0.40 -0.05 -0.25 0.00 0.02 0.00 0.00 61.00 61.12 1a49 s PRO 1076Cb -0.11 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 1a49 s PRO 1076CO 0.30 -2.58 0.77 0.08 -0.33 0.00 0.00 177.00 175.23 1a49 s VAL 1077N -3.45 4.59 0.64 3.83 1.01 -1.26 -5.07 120.40 120.68 1a49 s VAL 1077Ca 0.69 1.66 -0.09 0.00 0.00 0.00 0.00 61.98 64.23 1a49 s VAL 1077Cb -0.09 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 1a49 s VAL 1077CO 0.53 0.43 1.00 -1.10 0.00 0.00 0.00 175.10 175.96 1a49 s GLN 1078N -0.50 3.08 0.44 2.72 1.11 -1.26 -4.98 119.66 120.27 1a49 s GLN 1078Ca 0.37 0.36 0.24 0.00 0.01 0.00 0.00 55.36 56.35 1a49 s GLN 1078Cb -0.22 -2.14 0.58 0.00 -1.01 0.00 0.00 33.01 30.23 1a49 s GLN 1078CO 0.24 -0.78 1.69 1.05 0.01 0.00 0.00 175.29 177.50 1a49 h GLU 1079N -0.38 0.00 -5.03 2.91 4.11 -2.01 -3.42 114.58 110.76 1a49 h GLU 1079Ca -0.45 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.35 1a49 h GLU 1079Cb 1.24 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.31 1a49 h GLU 1079CO 0.62 0.09 -0.55 0.00 0.07 0.00 0.00 179.01 179.25 1a49 s ALA 1080N -3.32 3.45 0.09 1.06 0.00 -1.26 -4.97 121.76 116.81 1a49 s ALA 1080Ca 0.05 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 50.74 1a49 s ALA 1080Cb 0.07 -2.25 -0.12 0.00 0.00 0.00 0.00 23.12 20.82 1a49 s ALA 1080CO 0.65 -0.31 1.45 2.35 0.00 0.00 0.00 175.76 179.90 1a49 h TRP 1081N 7.81 -1.27 -0.81 0.00 -0.00 -1.99 0.19 115.95 119.87 1a49 h TRP 1081Ca -0.37 0.04 0.19 0.00 -0.00 0.00 0.00 58.89 58.75 1a49 h TRP 1081Cb 1.18 0.55 -0.12 0.00 -0.00 0.00 0.00 29.16 30.76 1a49 h TRP 1081CO 0.68 -0.48 0.24 0.00 -0.00 0.00 0.00 178.44 178.88 1a49 h ALA 1082N -0.68 1.15 -0.03 2.65 0.00 -1.93 0.49 119.26 120.90 1a49 h ALA 1082Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1a49 h ALA 1082Cb 0.61 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1a49 h ALA 1082CO -0.26 -0.36 -0.01 0.93 0.00 0.00 0.00 179.25 179.54 1a49 h GLU 1083N 0.29 0.07 -0.55 0.00 5.08 -1.88 -0.76 114.58 116.82 1a49 h GLU 1083Ca 0.48 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.92 1a49 h GLU 1083Cb 0.89 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.05 1a49 h GLU 1083CO -0.55 0.44 0.06 0.22 -1.00 0.00 0.00 179.01 178.17 1a49 h ASP 1084N -0.31 -0.12 0.09 1.42 3.58 0.28 0.61 116.42 121.98 1a49 h ASP 1084Ca 0.01 0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.60 1a49 h ASP 1084Cb 0.41 0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 1a49 h ASP 1084CO 0.00 -0.04 -0.30 0.58 -2.88 0.00 0.00 179.24 176.60 1a49 h VAL 1085N 0.18 0.34 -0.55 2.25 2.07 -0.22 -1.28 116.25 119.05 1a49 h VAL 1085Ca 0.29 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.91 1a49 h VAL 1085Cb 0.43 0.34 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 1a49 h VAL 1085CO -0.42 0.00 0.07 0.44 0.02 0.00 0.00 177.57 177.69 1a49 h ASP 1086N -0.51 -0.08 0.10 0.57 3.32 0.56 0.11 116.42 120.50 1a49 h ASP 1086Ca 0.04 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.21 1a49 h ASP 1086Cb 0.55 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 1a49 h ASP 1086CO -0.20 -0.02 -0.35 0.25 -1.72 0.00 0.00 179.24 177.21 1a49 h LEU 1087N 0.20 -1.04 -0.76 1.55 6.46 -0.76 0.32 115.31 121.27 1a49 h LEU 1087Ca 0.28 0.11 0.16 0.00 -0.12 0.00 0.00 57.88 58.31 1a49 h LEU 1087Cb 0.41 0.38 -0.14 0.00 -0.73 0.00 0.00 40.66 40.59 1a49 h LEU 1087CO -0.40 -0.37 -0.10 0.03 -0.62 0.00 0.00 178.44 176.98 1a49 h ARG 1088N -0.51 0.04 -0.70 1.25 3.08 -0.21 0.72 114.38 118.05 1a49 h ARG 1088Ca -0.01 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.12 1a49 h ARG 1088Cb 0.50 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.48 1a49 h ARG 1088CO -0.18 0.03 0.37 0.28 -1.07 0.00 0.00 179.97 179.40 1a49 h VAL 1089N 0.04 0.91 -0.81 2.04 2.07 -0.24 -1.73 116.25 118.53 1a49 h VAL 1089Ca 0.39 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 1a49 h VAL 1089Cb 0.65 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1a49 h VAL 1089CO -0.74 0.12 0.43 0.78 0.02 0.00 0.00 177.57 178.19 1a49 h ASN 1090N 0.66 1.02 -0.31 0.57 2.35 0.25 -1.68 115.58 118.44 1a49 h ASN 1090Ca 0.33 -0.11 0.07 0.00 -0.55 0.00 0.00 56.30 56.04 1a49 h ASN 1090Cb 0.28 -0.26 -0.08 0.00 0.05 0.00 0.00 38.32 38.32 1a49 h ASN 1090CO -0.23 0.84 -0.24 0.25 -1.65 0.00 0.00 177.43 176.40 1a49 h LEU 1091N 1.13 -0.79 -2.54 1.61 5.85 0.08 0.99 115.31 121.65 1a49 h LEU 1091Ca 0.28 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 59.15 1a49 h LEU 1091Cb 0.05 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1a49 h LEU 1091CO -0.04 -0.27 -0.00 0.00 -0.34 0.00 0.00 178.44 177.78 1a49 h ALA 1092N 0.89 1.44 0.11 1.25 0.00 -0.92 -0.84 119.26 121.19 1a49 h ALA 1092Ca 0.16 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.79 1a49 h ALA 1092Cb 0.46 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a49 h ALA 1092CO -0.43 0.00 -1.20 1.98 0.00 0.00 0.00 179.25 179.60 1a49 h MET 1093N 0.00 0.42 0.00 0.00 4.05 0.18 -2.58 114.93 116.99 1a49 h MET 1093Ca -0.00 -0.60 -0.05 0.00 -0.28 0.00 0.00 59.70 58.77 1a49 h MET 1093Cb 0.01 0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1a49 h MET 1093CO 0.00 1.26 -0.22 -0.91 0.23 0.00 0.00 176.91 177.27 1a49 h ASN 1094N 0.17 0.00 0.31 1.39 4.21 0.63 -2.56 115.58 119.73 1a49 h ASN 1094Ca -0.15 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.35 1a49 h ASN 1094Cb 1.89 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.09 1a49 h ASN 1094CO 0.21 0.22 -0.15 0.58 -1.29 0.00 0.00 177.43 177.00 1a49 h VAL 1095N 0.00 0.00 -0.59 2.81 2.07 -1.28 0.21 116.25 119.47 1a49 h VAL 1095Ca -0.00 -0.57 0.17 0.00 0.82 0.00 0.00 66.70 67.12 1a49 h VAL 1095Cb 0.62 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1a49 h VAL 1095CO 0.03 0.00 0.48 1.23 0.02 0.00 0.00 177.57 179.33 1a49 h GLY 1096N -0.98 0.00 0.22 2.17 0.00 -1.43 0.66 103.07 103.72 1a49 h GLY 1096Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1a49 h GLY 1096CO 0.07 0.00 -0.03 0.50 0.00 0.00 0.00 176.54 177.08 1a49 h LYS 1097N 0.00 0.02 -0.23 4.80 1.57 -1.48 0.85 116.57 122.10 1a49 h LYS 1097Ca 0.28 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.09 1a49 h LYS 1097Cb 1.23 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1a49 h LYS 1097CO -0.00 0.82 0.16 0.00 -0.57 0.00 0.00 179.45 179.85 1a49 h ALA 1098N 0.20 2.11 0.00 3.86 0.00 0.13 -2.78 119.26 122.79 1a49 h ALA 1098Ca -0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1a49 h ALA 1098Cb 0.83 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1a49 h ALA 1098CO 0.01 -0.17 -1.45 0.00 0.00 0.00 0.00 179.25 177.64 1a49 h ARG 1099N 0.08 0.00 0.00 0.00 2.47 0.30 -3.48 114.38 113.75 1a49 h ARG 1099Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1a49 h ARG 1099Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1a49 h ARG 1099CO -0.01 0.54 0.00 0.41 0.56 0.00 0.00 179.97 181.47 1a49 n GLY 1100N 1.47 0.91 0.16 0.04 0.00 0.18 -4.94 105.19 103.00 1a49 n GLY 1100Ca -0.11 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 45.83 1a49 n GLY 1100CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a49 h PHE 1101N 0.00 0.00 -2.77 1.61 0.04 0.34 -3.45 116.94 112.70 1a49 h PHE 1101Ca 0.00 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.84 1a49 h PHE 1101Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1a49 h PHE 1101CO 0.00 0.50 0.38 -0.59 -0.60 0.00 0.00 178.31 178.00 1a49 s PHE 1102N -3.33 0.02 0.12 -0.55 -0.12 -1.11 -4.90 117.98 108.11 1a49 s PHE 1102Ca 0.01 -0.53 -0.01 0.00 -0.05 0.00 0.00 56.93 56.36 1a49 s PHE 1102Cb 0.10 0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 43.20 1a49 s PHE 1102CO 0.72 -1.23 0.03 -1.59 -0.05 0.00 0.00 175.22 173.10 1a49 s LYS 1103N -2.68 0.88 0.05 1.99 -2.85 -1.26 -4.31 119.74 111.55 1a49 s LYS 1103Ca 0.16 -1.41 -0.35 0.00 -1.00 0.00 0.00 55.97 53.38 1a49 s LYS 1103Cb -0.04 0.18 -0.14 0.00 -2.06 0.00 0.00 37.83 35.77 1a49 s LYS 1103CO 0.08 -0.22 1.67 1.63 0.10 0.00 0.00 175.35 178.61 1a49 n LYS 1104N -0.07 2.01 0.00 1.78 5.02 -1.26 -1.00 118.16 124.63 1a49 n LYS 1104Ca -0.07 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1a49 n LYS 1104Cb 0.63 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1a49 n LYS 1104CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a49 n GLY 1105N 3.70 2.63 3.78 0.72 0.00 0.74 -4.95 105.19 111.82 1a49 n GLY 1105Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1a49 n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a49 s ASP 1106N -1.60 4.59 0.03 1.61 1.01 -0.17 -4.73 116.67 117.41 1a49 s ASP 1106Ca 0.00 1.64 0.00 0.00 0.71 0.00 0.00 52.55 54.91 1a49 s ASP 1106Cb 0.00 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1a49 s ASP 1106CO 0.00 -1.95 0.12 0.54 0.21 0.00 0.00 175.17 174.09 1a49 s VAL 1107N -2.98 4.92 0.01 -1.27 0.11 -1.26 -1.10 120.40 118.83 1a49 s VAL 1107Ca 0.61 -0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 59.17 1a49 s VAL 1107Cb -0.16 -3.31 -0.01 0.00 -1.53 0.00 0.00 36.38 31.36 1a49 s VAL 1107CO 0.56 0.25 0.03 -0.69 -3.33 0.00 0.00 175.10 171.92 1a49 s VAL 1108N -1.32 0.10 -0.25 2.04 1.01 0.68 -0.77 120.40 121.89 1a49 s VAL 1108Ca 0.27 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 1a49 s VAL 1108Cb -0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1a49 s VAL 1108CO 0.19 -0.45 0.49 -0.63 0.00 0.00 0.00 175.10 174.70 1a49 s ILE 1109N -1.40 5.10 -0.21 2.22 -1.09 -0.52 -1.09 121.20 124.21 1a49 s ILE 1109Ca -0.15 0.84 -0.05 0.00 -2.23 0.00 0.00 60.65 59.06 1a49 s ILE 1109Cb -0.09 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1a49 s ILE 1109CO -0.00 0.12 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.13 1a49 s VAL 1110N 2.08 3.75 -0.14 2.92 1.01 0.27 -0.78 120.40 129.51 1a49 s VAL 1110Ca 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1a49 s VAL 1110Cb -0.16 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1a49 s VAL 1110CO 0.09 0.42 -0.12 -0.76 0.00 0.00 0.00 175.10 174.74 1a49 s LEU 1111N 1.16 2.80 0.20 3.92 1.43 0.25 -0.29 118.68 128.14 1a49 s LEU 1111Ca 0.03 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1a49 s LEU 1111Cb -0.14 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1a49 s LEU 1111CO 0.01 0.16 0.33 0.42 0.23 0.00 0.00 176.35 177.50 1a49 s THR 1112N 0.37 0.03 -0.09 5.49 -4.23 0.17 -2.57 115.64 114.82 1a49 s THR 1112Ca -0.10 -1.47 -0.19 0.00 -1.18 0.00 0.00 61.69 58.75 1a49 s THR 1112Cb -0.16 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 1a49 s THR 1112CO 0.05 -0.14 0.53 -0.83 -0.54 0.00 0.00 174.62 173.69 1a49 s GLY 1113N -3.01 2.47 0.15 3.99 0.00 -1.26 -0.32 107.32 109.33 1a49 s GLY 1113Ca 0.22 -0.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.68 1a49 s GLY 1113CO 0.05 0.81 1.79 -0.25 0.00 0.00 0.00 173.10 175.49 1a49 h TRP 1114N 6.46 0.51 -2.55 1.90 2.91 -1.92 -3.44 115.95 119.81 1a49 h TRP 1114Ca -0.42 0.00 -0.53 0.00 1.13 0.00 0.00 58.89 59.07 1a49 h TRP 1114Cb 1.19 -0.17 -0.13 0.00 -0.51 0.00 0.00 29.16 29.53 1a49 h TRP 1114CO 0.64 0.35 -0.56 1.03 -1.03 0.00 0.00 178.44 178.87 1a49 s ARG 1115N -6.04 1.82 0.25 2.65 0.52 -1.26 -4.97 118.95 111.93 1a49 s ARG 1115Ca -0.13 -2.08 0.22 0.00 -0.52 0.00 0.00 55.73 53.22 1a49 s ARG 1115Cb 0.10 -0.80 0.97 0.00 0.52 0.00 0.00 34.95 35.75 1a49 s ARG 1115CO 0.73 -0.34 1.66 -0.35 0.02 0.00 0.00 175.30 177.02 1a49 n PRO 1116N -0.84 0.16 -0.68 3.54 -0.05 -1.26 -2.20 135.00 133.68 1a49 n PRO 1116Ca -0.05 0.46 0.00 0.00 -0.05 0.00 0.00 63.50 63.86 1a49 n PRO 1116Cb 0.66 -1.86 0.23 0.00 -0.05 0.00 0.00 33.50 32.48 1a49 n PRO 1116CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1a49 n GLY 1117N -0.33 4.46 0.17 0.55 0.00 -1.26 -4.79 105.19 103.98 1a49 n GLY 1117Ca 0.01 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 1a49 n GLY 1117CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a49 h SER 1118N 1.40 0.16 0.00 1.61 0.02 -1.82 -3.47 113.55 111.45 1a49 h SER 1118Ca 0.15 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1a49 h SER 1118Cb 1.66 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.22 1a49 h SER 1118CO 0.37 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.80 1a49 n GLY 1119N -1.23 3.16 3.62 -3.77 0.00 -1.26 -4.99 105.19 100.73 1a49 n GLY 1119Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 1a49 n GLY 1119CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a49 s PHE 1120N -2.59 -0.20 -0.77 1.61 -0.71 -1.26 -5.01 117.98 109.06 1a49 s PHE 1120Ca 0.00 0.01 -0.26 0.00 -1.04 0.00 0.00 56.93 55.65 1a49 s PHE 1120Cb 0.00 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 1a49 s PHE 1120CO 0.00 -0.57 1.62 0.95 -1.34 0.00 0.00 175.22 175.87 1a49 s THR 1121N -3.00 3.58 -2.59 -4.49 -4.23 -1.26 -4.10 115.64 99.54 1a49 s THR 1121Ca 0.09 0.02 0.21 0.00 -1.18 0.00 0.00 61.69 60.83 1a49 s THR 1121Cb -0.00 -4.45 0.16 0.00 1.34 0.00 0.00 72.50 69.55 1a49 s THR 1121CO -0.04 -1.39 1.16 -0.46 -0.54 0.00 0.00 174.62 173.35 1a49 n ASN 1122N 11.23 2.73 -4.15 3.99 6.94 0.44 -4.76 115.26 131.68 1a49 n ASN 1122Ca 0.20 -1.86 -0.34 0.00 -0.02 0.00 0.00 54.58 52.56 1a49 n ASN 1122Cb 0.50 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.77 1a49 n ASN 1122CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1a49 s THR 1123N -1.73 2.53 -0.08 5.53 2.01 0.56 -4.93 115.64 119.52 1a49 s THR 1123Ca 0.24 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1a49 s THR 1123Cb 0.17 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 1a49 s THR 1123CO 0.26 0.24 -0.11 -0.32 -0.69 0.00 0.00 174.62 174.01 1a49 s MET 1124N 1.27 2.85 0.03 4.92 1.75 -1.26 -0.65 119.30 128.22 1a49 s MET 1124Ca -0.00 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 53.83 1a49 s MET 1124Cb -0.16 -2.54 -0.02 0.00 2.84 0.00 0.00 34.83 34.94 1a49 s MET 1124CO -0.07 0.53 -0.08 0.50 -0.65 0.00 0.00 175.02 175.25 1a49 s ARG 1125N -0.46 0.53 -0.23 4.11 3.52 0.60 -4.96 118.95 122.06 1a49 s ARG 1125Ca 0.06 -0.64 -0.10 0.00 -0.13 0.00 0.00 55.73 54.91 1a49 s ARG 1125Cb -0.12 -0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 32.87 1a49 s ARG 1125CO 0.02 0.07 0.15 0.08 -0.81 0.00 0.00 175.30 174.81 1a49 s VAL 1126N -1.10 5.33 0.08 7.11 1.01 -1.26 0.94 120.40 132.51 1a49 s VAL 1126Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1a49 s VAL 1126Cb -0.08 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1a49 s VAL 1126CO 0.00 0.36 -0.04 -0.69 0.00 0.00 0.00 175.10 174.74 1a49 s VAL 1127N 0.93 0.42 -0.16 2.92 1.01 -0.25 -4.97 120.40 120.31 1a49 s VAL 1127Ca 0.07 -1.87 -0.05 0.00 0.00 0.00 0.00 61.98 60.14 1a49 s VAL 1127Cb -0.13 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1a49 s VAL 1127CO 0.03 -0.91 -0.00 -2.84 0.00 0.00 0.00 175.10 171.38 1a49 s PRO 1128N -3.89 3.70 0.14 2.72 0.02 -1.26 -0.23 135.00 136.19 1a49 s PRO 1128Ca 0.10 -0.46 -0.31 0.00 0.02 0.00 0.00 61.00 60.35 1a49 s PRO 1128Cb 0.07 -2.99 -0.10 0.00 0.02 0.00 0.00 34.50 31.50 1a49 s PRO 1128CO -0.07 0.30 1.62 0.08 -0.33 0.00 0.00 177.00 178.60 1a49 s VAL 1129N 0.23 2.68 -2.00 3.83 1.01 -0.25 -4.86 120.40 121.05 1a49 s VAL 1129Ca -0.00 0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.45 1a49 s VAL 1129Cb -0.13 -3.25 0.22 0.00 0.00 0.00 0.00 36.38 33.22 1a49 s VAL 1129CO 0.02 0.02 0.93 -2.65 0.00 0.00 0.00 175.10 173.41