#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b49 n LEU 647 N 0.00 0.00 -0.10 7.52 4.77 -1.26 -2.85 117.00 125.08 2b49 n LEU 647 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2b49 n LEU 647 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2b49 n LEU 647 CO 0.00 0.00 -1.18 -0.38 -1.33 0.00 0.00 177.39 174.50 2b49 n ILE 648 N -0.97 1.24 0.10 -0.08 2.08 -1.26 -4.32 119.36 116.15 2b49 n ILE 648 Ca 0.15 -0.53 -0.05 0.00 0.56 0.00 0.00 62.75 62.87 2b49 n ILE 648 Cb 0.07 -1.11 0.05 0.00 -0.75 0.00 0.00 39.64 37.89 2b49 n ILE 648 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2b49 h GLN 649 N 0.00 0.09 -0.44 0.38 4.20 -1.98 -2.96 115.11 114.40 2b49 h GLN 649 Ca -0.48 -0.09 0.08 0.00 0.06 0.00 0.00 58.65 58.22 2b49 h GLN 649 Cb 1.82 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 29.56 2b49 h GLN 649 CO -0.05 0.82 0.06 0.35 -0.67 0.00 0.00 178.83 179.34 2b49 h PHE 650 N 0.05 0.09 0.00 2.96 3.57 -1.77 -0.73 116.94 121.12 2b49 h PHE 650 Ca -0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2b49 h PHE 650 Cb 1.37 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 2b49 h PHE 650 CO 0.01 -0.03 -0.21 0.93 -2.23 0.00 0.00 178.31 176.78 2b49 h GLU 651 N 0.18 0.00 0.00 1.11 5.08 -1.73 -2.15 114.58 117.07 2b49 h GLU 651 Ca 0.22 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.43 2b49 h GLU 651 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2b49 h GLU 651 CO -0.31 0.21 -0.70 1.96 -1.00 0.00 0.00 179.01 179.17 2b49 h GLN 652 N 0.00 0.00 -6.99 2.33 1.08 -1.22 -3.47 115.11 106.84 2b49 h GLN 652 Ca -0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 2b49 h GLN 652 Cb 0.55 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 28.09 2b49 h GLN 652 CO 0.03 0.70 0.65 -1.17 -0.95 0.00 0.00 178.83 178.09 2b49 s LEU 653 N -6.57 4.10 0.52 1.46 2.96 -0.34 -4.95 118.68 115.86 2b49 s LEU 653 Ca 0.03 2.77 -0.22 0.00 -0.22 0.00 0.00 54.13 56.49 2b49 s LEU 653 Cb 0.09 -4.00 -0.06 0.00 0.50 0.00 0.00 46.19 42.72 2b49 s LEU 653 CO 0.78 -1.12 1.37 -0.72 -1.32 0.00 0.00 176.35 175.34 2b49 s TYR 654 N -1.26 2.33 -0.12 5.38 -0.85 -1.26 -4.96 117.35 116.61 2b49 s TYR 654 Ca 0.61 1.35 -0.26 0.00 -0.52 0.00 0.00 57.07 58.26 2b49 s TYR 654 Cb -0.40 -3.82 -0.27 0.00 0.38 0.00 0.00 41.96 37.85 2b49 s TYR 654 CO 0.51 -2.89 0.74 0.07 -1.52 0.00 0.00 175.55 172.46 2b49 h ARG 655 N 1.65 0.09 -6.36 -3.49 -0.00 -1.96 -3.47 114.38 100.84 2b49 h ARG 655 Ca -0.51 -0.15 -0.68 0.00 -0.00 0.00 0.00 59.98 58.64 2b49 h ARG 655 Cb 1.29 0.06 -0.19 0.00 -0.00 0.00 0.00 29.97 31.13 2b49 h ARG 655 CO 0.58 1.07 -0.73 0.15 -0.00 0.00 0.00 179.97 181.04 2b49 s LYS 656 N -2.30 2.44 -0.01 0.08 1.02 -1.26 -0.75 119.74 118.96 2b49 s LYS 656 Ca -0.19 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 54.73 2b49 s LYS 656 Cb -0.01 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.82 2b49 s LYS 656 CO 0.72 0.59 1.52 0.21 -0.92 0.00 0.00 175.35 177.47 2b49 s LYS 657 N -1.35 4.23 0.39 1.68 2.20 -1.26 -4.95 119.74 120.69 2b49 s LYS 657 Ca 0.16 2.09 -0.27 0.00 -0.36 0.00 0.00 55.97 57.59 2b49 s LYS 657 Cb -0.11 -3.70 -0.11 0.00 -1.51 0.00 0.00 37.83 32.40 2b49 s LYS 657 CO 0.06 -0.69 1.37 -2.30 -0.36 0.00 0.00 175.35 173.42 2b49 n PRO 658 N 5.99 2.25 0.00 4.03 -0.02 -1.26 -2.45 135.00 143.54 2b49 n PRO 658 Ca 0.15 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2b49 n PRO 658 Cb 0.43 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2b49 n PRO 658 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b49 n GLY 659 N 0.65 3.27 3.66 -1.23 0.00 -1.26 -5.03 105.19 105.26 2b49 n GLY 659 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2b49 n GLY 659 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b49 s LEU 660 N 0.00 4.10 0.27 0.99 1.43 -1.02 -5.00 118.68 119.45 2b49 s LEU 660 Ca 0.00 1.36 -0.29 0.00 -1.03 0.00 0.00 54.13 54.17 2b49 s LEU 660 Cb 0.00 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.61 2b49 s LEU 660 CO 0.00 -0.66 0.96 0.00 0.23 0.00 0.00 176.35 176.88 2b49 s ALA 661 N 3.18 3.31 -0.35 4.21 0.00 -1.26 -4.95 121.76 125.89 2b49 s ALA 661 Ca 0.44 0.63 0.02 0.00 0.00 0.00 0.00 51.96 53.04 2b49 s ALA 661 Cb -0.15 -3.22 0.11 0.00 0.00 0.00 0.00 23.12 19.86 2b49 s ALA 661 CO 0.06 0.15 0.11 0.42 0.00 0.00 0.00 175.76 176.50 2b49 s ILE 662 N -1.30 1.64 0.01 0.00 1.01 -1.26 -1.38 121.20 119.91 2b49 s ILE 662 Ca 0.44 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 59.02 2b49 s ILE 662 Cb -0.25 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.01 2b49 s ILE 662 CO 0.31 -0.68 0.00 0.35 0.00 0.00 0.00 174.94 174.92 2b49 n THR 663 N 4.32 0.07 -0.25 2.92 -2.24 -1.26 -4.74 114.28 113.10 2b49 n THR 663 Ca 0.02 0.02 -0.05 0.00 -2.27 0.00 0.00 64.05 61.77 2b49 n THR 663 Cb 0.40 -1.45 0.05 0.00 -2.10 0.00 0.00 70.33 67.23 2b49 n THR 663 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2b49 h PHE 664 N 0.00 0.89 -0.00 4.78 0.04 -1.93 -1.68 116.94 119.03 2b49 h PHE 664 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2b49 h PHE 664 Cb 0.89 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 2b49 h PHE 664 CO 0.00 0.57 0.04 0.00 -0.60 0.00 0.00 178.31 178.32 2b49 h ALA 665 N 1.24 1.09 -0.02 2.45 0.00 -1.88 -2.12 119.26 120.03 2b49 h ALA 665 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2b49 h ALA 665 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2b49 h ALA 665 CO -0.05 -0.04 -0.34 1.63 0.00 0.00 0.00 179.25 180.44 2b49 n LYS 666 N -3.13 1.51 -1.76 0.00 5.02 -0.65 -4.50 118.16 114.64 2b49 n LYS 666 Ca -0.03 -1.15 -0.40 0.00 -2.02 0.00 0.00 58.31 54.71 2b49 n LYS 666 Cb 0.11 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 2b49 n LYS 666 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2b49 n LEU 667 N 0.25 4.88 -0.36 -0.35 4.77 -0.80 -4.83 117.00 120.56 2b49 n LEU 667 Ca 0.10 1.16 0.09 0.00 -0.03 0.00 0.00 56.01 57.33 2b49 n LEU 667 Cb 0.46 -1.60 0.27 0.00 -2.33 0.00 0.00 43.42 40.23 2b49 n LEU 667 CO 0.23 -0.10 1.22 -0.65 -1.33 0.00 0.00 177.39 176.77 2b49 h PRO 668 N 2.50 0.88 0.00 3.23 0.11 -1.93 -0.43 132.00 136.36 2b49 h PRO 668 Ca -0.50 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 2b49 h PRO 668 Cb 1.26 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2b49 h PRO 668 CO 0.62 0.58 -0.09 -0.56 -0.21 0.00 0.00 178.00 178.34 2b49 h GLN 669 N 0.91 0.00 -0.00 1.05 -0.00 -1.95 -3.07 115.11 112.04 2b49 h GLN 669 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.18 2b49 h GLN 669 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.12 2b49 h GLN 669 CO -0.30 0.09 -0.64 0.09 -0.00 0.00 0.00 178.83 178.06 2b49 n ASN 670 N -3.33 1.09 -0.30 0.06 3.02 -0.19 -4.63 115.26 110.98 2b49 n ASN 670 Ca -0.01 -0.90 -0.05 0.00 -0.03 0.00 0.00 54.58 53.60 2b49 n ASN 670 Cb 0.27 0.56 0.07 0.00 -0.61 0.00 0.00 39.78 40.07 2b49 n ASN 670 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2b49 h LEU 671 N 0.71 0.99 -0.09 3.41 3.38 -1.40 -1.64 115.31 120.67 2b49 h LEU 671 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2b49 h LEU 671 Cb 0.56 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2b49 h LEU 671 CO 0.00 0.78 -0.02 -0.90 0.09 0.00 0.00 178.44 178.39 2b49 n ASP 672 N -4.44 0.16 -0.08 -0.43 3.85 -1.26 -2.16 116.55 112.19 2b49 n ASP 672 Ca 0.08 -0.63 0.15 0.00 -0.71 0.00 0.00 54.79 53.68 2b49 n ASP 672 Cb 0.07 -0.12 0.78 0.00 -1.35 0.00 0.00 41.12 40.51 2b49 n ASP 672 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2b49 n LYS 673 N -1.04 0.87 -3.89 0.11 5.02 -0.62 -4.76 118.16 113.86 2b49 n LYS 673 Ca 0.18 -0.16 -0.35 0.00 -2.02 0.00 0.00 58.31 55.97 2b49 n LYS 673 Cb 0.20 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.62 2b49 n LYS 673 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2b49 s ASN 674 N -2.24 5.78 0.16 4.39 0.01 -0.92 -4.50 114.94 117.63 2b49 s ASN 674 Ca 0.38 0.10 -0.11 0.00 -0.71 0.00 0.00 52.86 52.52 2b49 s ASN 674 Cb 0.21 -2.01 0.04 0.00 0.41 0.00 0.00 41.25 39.90 2b49 s ASN 674 CO 0.41 0.15 1.61 -0.09 -1.51 0.00 0.00 177.10 177.67 2b49 h ARG 675 N 6.91 0.97 -4.69 -0.60 2.43 -1.87 -3.42 114.38 114.11 2b49 h ARG 675 Ca -0.38 -0.31 -0.55 0.00 -0.81 0.00 0.00 59.98 57.93 2b49 h ARG 675 Cb 1.16 -0.08 -0.33 0.00 -0.42 0.00 0.00 29.97 30.30 2b49 h ARG 675 CO 0.70 0.98 -0.83 0.71 -1.51 0.00 0.00 179.97 180.02 2b49 s TYR 676 N -5.00 1.67 0.36 2.20 2.02 -1.26 -5.03 117.35 112.31 2b49 s TYR 676 Ca -0.12 -0.65 0.35 0.00 -0.37 0.00 0.00 57.07 56.28 2b49 s TYR 676 Cb 0.12 -1.20 1.69 0.00 -0.40 0.00 0.00 41.96 42.17 2b49 s TYR 676 CO 0.84 -0.32 2.12 1.57 -1.57 0.00 0.00 175.55 178.19 2b49 h LYS 677 N 6.97 0.00 -0.04 -0.62 2.10 -1.94 -2.43 116.57 120.61 2b49 h LYS 677 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2b49 h LYS 677 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2b49 h LYS 677 CO 0.47 0.04 0.00 -0.40 -2.00 0.00 0.00 179.45 177.57 2b49 n ASP 678 N -3.25 2.89 -4.09 7.07 5.75 -1.26 -4.79 116.55 118.86 2b49 n ASP 678 Ca -0.01 -1.94 -0.35 0.00 -0.01 0.00 0.00 54.79 52.47 2b49 n ASP 678 Cb 0.22 -0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.19 2b49 n ASP 678 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2b49 s VAL 679 N -1.87 3.25 0.03 2.12 1.01 -0.92 -5.09 120.40 118.93 2b49 s VAL 679 Ca 0.27 -2.38 0.05 0.00 0.00 0.00 0.00 61.98 59.92 2b49 s VAL 679 Cb 0.19 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2b49 s VAL 679 CO 0.28 -0.73 -0.14 -0.76 0.00 0.00 0.00 175.10 173.75 2b49 s LEU 680 N 0.75 2.14 0.44 3.92 1.43 -1.26 -4.72 118.68 121.37 2b49 s LEU 680 Ca 0.11 -0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 52.57 2b49 s LEU 680 Cb -0.22 -0.65 -0.08 0.00 0.03 0.00 0.00 46.19 45.27 2b49 s LEU 680 CO -0.04 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 175.54 2b49 s PRO 681 N -0.95 3.91 0.50 1.29 0.04 -1.26 -4.58 135.00 133.95 2b49 s PRO 681 Ca 0.03 1.56 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 2b49 s PRO 681 Cb -0.07 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 2b49 s PRO 681 CO 0.01 -0.37 1.11 0.71 0.04 0.00 0.00 177.00 178.50 2b49 s TYR 682 N -1.70 2.85 0.25 0.56 2.02 -1.26 -4.71 117.35 115.36 2b49 s TYR 682 Ca 0.63 1.56 -0.04 0.00 -0.37 0.00 0.00 57.07 58.84 2b49 s TYR 682 Cb -0.23 -3.24 0.36 0.00 -0.40 0.00 0.00 41.96 38.46 2b49 s TYR 682 CO 0.28 -1.28 1.87 -0.44 -1.57 0.00 0.00 175.55 174.40 2b49 h ASP 683 N 1.60 0.94 0.36 2.29 3.32 -1.60 -2.01 116.42 121.33 2b49 h ASP 683 Ca -0.50 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.45 2b49 h ASP 683 Cb 1.24 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2b49 h ASP 683 CO 0.59 0.60 -0.49 0.71 -1.72 0.00 0.00 179.24 178.93 2b49 h THR 684 N 1.08 1.35 -0.18 0.35 1.35 -1.92 -3.22 112.91 111.71 2b49 h THR 684 Ca 0.40 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2b49 h THR 684 Cb 0.16 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2b49 h THR 684 CO -0.17 0.50 0.00 0.35 -0.25 0.00 0.00 175.52 175.95 2b49 n THR 685 N -3.96 0.64 -2.24 6.82 -2.24 -1.14 -5.03 114.28 107.13 2b49 n THR 685 Ca -0.02 -0.82 -0.36 0.00 -2.27 0.00 0.00 64.05 60.58 2b49 n THR 685 Cb 0.52 0.75 -0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2b49 n THR 685 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b49 s ARG 686 N -0.90 3.52 0.05 -0.78 1.70 -0.77 -0.53 118.95 121.25 2b49 s ARG 686 Ca 0.15 1.71 -0.30 0.00 -0.47 0.00 0.00 55.73 56.82 2b49 s ARG 686 Cb 0.09 -2.19 -0.05 0.00 -0.57 0.00 0.00 34.95 32.23 2b49 s ARG 686 CO 0.12 -0.74 1.05 0.08 -1.08 0.00 0.00 175.30 174.73 2b49 s VAL 687 N -1.65 4.47 -0.13 4.99 1.01 -0.42 -4.78 120.40 123.90 2b49 s VAL 687 Ca 0.69 1.85 -0.07 0.00 0.00 0.00 0.00 61.98 64.44 2b49 s VAL 687 Cb -0.27 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2b49 s VAL 687 CO 0.31 0.19 0.14 -0.76 0.00 0.00 0.00 175.10 174.98 2b49 s LEU 688 N 0.70 4.36 -0.04 3.92 1.43 -1.26 -4.22 118.68 123.57 2b49 s LEU 688 Ca 0.53 0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 53.98 2b49 s LEU 688 Cb -0.25 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 2b49 s LEU 688 CO 0.29 0.38 0.24 -0.76 0.23 0.00 0.00 176.35 176.73 2b49 s LEU 689 N -0.83 4.40 0.31 1.79 1.43 -0.50 -5.04 118.68 120.23 2b49 s LEU 689 Ca 0.14 0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 53.55 2b49 s LEU 689 Cb -0.12 -2.43 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 2b49 s LEU 689 CO 0.03 0.32 1.04 -1.10 0.23 0.00 0.00 176.35 176.87 2b49 s GLN 690 N -1.38 4.56 0.00 1.70 -0.21 -1.26 -4.37 119.66 118.71 2b49 s GLN 690 Ca 0.22 1.62 0.00 0.00 0.02 0.00 0.00 55.36 57.22 2b49 s GLN 690 Cb -0.13 -3.01 0.00 0.00 1.00 0.00 0.00 33.01 30.87 2b49 s GLN 690 CO 0.11 0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.89 2b49 n GLY 691 N 0.98 1.44 0.16 3.09 0.00 -1.26 -4.90 105.19 104.69 2b49 n GLY 691 Ca 0.01 -2.00 0.01 0.00 0.00 0.00 0.00 46.02 44.04 2b49 n GLY 691 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2b49 h ASN 692 N 0.00 0.00 -3.66 1.61 2.35 -2.07 -3.39 115.58 110.43 2b49 h ASN 692 Ca 0.00 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.07 2b49 h ASN 692 Cb 0.00 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 38.05 2b49 h ASN 692 CO 0.00 0.52 -0.72 -1.61 -1.65 0.00 0.00 177.43 173.96 2b49 s GLU 693 N -3.65 2.61 0.00 0.81 8.01 -1.26 -5.00 118.70 120.22 2b49 s GLU 693 Ca -0.01 -1.13 0.19 0.00 0.01 0.00 0.00 54.97 54.03 2b49 s GLU 693 Cb 0.12 -3.08 0.57 0.00 -4.31 0.00 0.00 34.13 27.43 2b49 s GLU 693 CO 0.73 -0.52 1.45 -0.40 0.01 0.00 0.00 175.26 176.53 2b49 n ASP 694 N 4.64 2.22 -4.73 -0.19 5.68 -1.26 -4.80 116.55 118.10 2b49 n ASP 694 Ca -0.15 -1.86 -0.35 0.00 -0.50 0.00 0.00 54.79 51.93 2b49 n ASP 694 Cb 0.45 -0.19 -0.08 0.00 -1.14 0.00 0.00 41.12 40.16 2b49 n ASP 694 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2b49 s TYR 695 N -1.61 3.43 0.02 2.11 5.04 -1.26 -1.41 117.35 123.66 2b49 s TYR 695 Ca 0.32 0.41 0.01 0.00 -2.44 0.00 0.00 57.07 55.37 2b49 s TYR 695 Cb 0.18 -2.21 -0.01 0.00 0.35 0.00 0.00 41.96 40.26 2b49 s TYR 695 CO 0.25 0.28 -0.03 -1.50 -1.34 0.00 0.00 175.55 173.21 2b49 s ILE 696 N 0.38 0.19 -1.20 3.14 2.07 -1.26 -4.96 121.20 119.56 2b49 s ILE 696 Ca 0.11 -0.63 -0.19 0.00 -1.41 0.00 0.00 60.65 58.53 2b49 s ILE 696 Cb -0.12 -0.26 0.08 0.00 0.13 0.00 0.00 42.46 42.29 2b49 s ILE 696 CO -0.00 -0.28 1.61 0.21 -1.91 0.00 0.00 174.94 174.56 2b49 s ASN 697 N -0.96 6.76 -0.10 4.50 3.84 -1.26 -4.61 114.94 123.11 2b49 s ASN 697 Ca -0.09 -2.22 -0.19 0.00 0.21 0.00 0.00 52.86 50.57 2b49 s ASN 697 Cb -0.07 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 38.13 2b49 s ASN 697 CO -0.00 -1.21 0.47 0.00 -2.79 0.00 0.00 177.10 173.56 2b49 s ALA 698 N 4.10 -1.19 0.02 1.71 0.00 -1.26 -3.31 121.76 121.83 2b49 s ALA 698 Ca 0.50 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.53 2b49 s ALA 698 Cb 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2b49 s ALA 698 CO 0.02 -0.27 -0.13 -1.12 0.00 0.00 0.00 175.76 174.26 2b49 s SER 699 N -0.54 1.48 -0.04 0.00 0.01 0.26 -1.30 113.70 113.57 2b49 s SER 699 Ca -0.07 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 56.55 2b49 s SER 699 Cb -0.03 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 2b49 s SER 699 CO 0.04 0.07 1.06 -0.31 0.41 0.00 0.00 173.24 174.50 2b49 s TYR 700 N -0.62 3.50 -0.17 2.43 2.02 0.31 -0.96 117.35 123.86 2b49 s TYR 700 Ca 0.02 1.53 -0.01 0.00 -0.37 0.00 0.00 57.07 58.24 2b49 s TYR 700 Cb -0.06 -3.24 0.05 0.00 -0.40 0.00 0.00 41.96 38.31 2b49 s TYR 700 CO 0.00 -0.47 -0.03 0.08 -1.57 0.00 0.00 175.55 173.56 2b49 s VAL 701 N 1.58 0.97 -0.12 0.71 1.01 -0.57 -4.80 120.40 119.17 2b49 s VAL 701 Ca 0.52 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2b49 s VAL 701 Cb -0.22 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 2b49 s VAL 701 CO 0.24 0.03 -0.18 0.20 0.00 0.00 0.00 175.10 175.39 2b49 s ASN 702 N 1.68 3.58 -0.36 3.32 0.01 -1.26 0.00 114.94 121.92 2b49 s ASN 702 Ca -0.00 -0.45 -0.07 0.00 -0.71 0.00 0.00 52.86 51.63 2b49 s ASN 702 Cb -0.16 -1.52 0.04 0.00 0.41 0.00 0.00 41.25 40.02 2b49 s ASN 702 CO -0.07 0.15 0.14 -0.04 -1.51 0.00 0.00 177.10 175.76 2b49 s MET 703 N 0.44 2.64 -0.08 -0.60 -1.94 0.48 -4.96 119.30 115.27 2b49 s MET 703 Ca -0.13 -1.21 -0.19 0.00 -1.71 0.00 0.00 55.69 52.45 2b49 s MET 703 Cb -0.17 -3.55 -0.04 0.00 2.01 0.00 0.00 34.83 33.08 2b49 s MET 703 CO 0.06 -0.71 0.54 -1.21 -0.01 0.00 0.00 175.02 173.68 2b49 s GLU 704 N 1.42 4.33 -0.57 2.03 8.01 -1.26 -0.81 118.70 131.86 2b49 s GLU 704 Ca -0.00 0.58 0.05 0.00 0.01 0.00 0.00 54.97 55.60 2b49 s GLU 704 Cb -0.20 -3.41 0.17 0.00 -4.31 0.00 0.00 34.13 26.38 2b49 s GLU 704 CO 0.03 0.20 0.43 -0.89 0.01 0.00 0.00 175.26 175.05 2b49 n ILE 705 N 3.43 0.33 0.25 -1.63 5.41 0.81 -4.98 119.36 122.99 2b49 n ILE 705 Ca -0.06 -4.21 0.08 0.00 1.00 0.00 0.00 62.75 59.56 2b49 n ILE 705 Cb 0.51 -1.94 0.62 0.00 -0.71 0.00 0.00 39.64 38.13 2b49 n ILE 705 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2b49 h PRO 706 N 5.46 0.00 0.00 0.38 0.13 -1.96 -0.90 132.00 135.11 2b49 h PRO 706 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2b49 h PRO 706 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2b49 h PRO 706 CO 0.56 0.07 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 2b49 n ALA 707 N -2.50 1.50 -0.08 -0.56 0.00 -1.26 -0.91 120.51 116.71 2b49 n ALA 707 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2b49 n ALA 707 Cb 0.15 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2b49 n ALA 707 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b49 n ALA 708 N -1.45 1.93 -3.86 0.00 0.00 -0.41 -5.01 120.51 111.71 2b49 n ALA 708 Ca 0.03 -0.97 -0.31 0.00 0.00 0.00 0.00 53.44 52.19 2b49 n ALA 708 Cb 0.11 -0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.57 2b49 n ALA 708 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2b49 n ASN 709 N -0.47 -2.89 -3.82 0.00 5.15 -0.08 -4.96 115.26 108.18 2b49 n ASN 709 Ca 0.00 -1.06 -0.13 0.00 -0.60 0.00 0.00 54.58 52.79 2b49 n ASN 709 Cb 0.27 -2.97 -0.14 0.00 -0.53 0.00 0.00 39.78 36.40 2b49 n ASN 709 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2b49 s LEU 710 N -6.83 1.52 -0.08 1.20 2.96 -0.78 -5.02 118.68 111.65 2b49 s LEU 710 Ca 0.27 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 2b49 s LEU 710 Cb -0.11 0.10 0.02 0.00 0.50 0.00 0.00 46.19 46.70 2b49 s LEU 710 CO 0.89 -0.06 -0.06 -0.69 -1.32 0.00 0.00 176.35 175.11 2b49 s VAL 711 N 0.43 0.81 -0.34 1.68 1.01 -1.26 -0.13 120.40 122.59 2b49 s VAL 711 Ca -0.03 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 2b49 s VAL 711 Cb -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2b49 s VAL 711 CO -0.01 0.32 0.20 0.20 0.00 0.00 0.00 175.10 175.80 2b49 s ASN 712 N 1.48 5.77 -0.05 3.32 0.01 0.01 -4.71 114.94 120.78 2b49 s ASN 712 Ca -0.01 -0.66 -0.12 0.00 -0.71 0.00 0.00 52.86 51.36 2b49 s ASN 712 Cb -0.13 -2.05 -0.05 0.00 0.41 0.00 0.00 41.25 39.42 2b49 s ASN 712 CO -0.04 -0.28 0.31 -0.54 -1.51 0.00 0.00 177.10 175.04 2b49 s LYS 713 N 1.63 3.76 0.10 -0.60 1.02 -1.26 -0.39 119.74 124.00 2b49 s LYS 713 Ca 0.04 0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.28 2b49 s LYS 713 Cb -0.18 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2b49 s LYS 713 CO 0.08 0.71 -0.09 0.71 -0.92 0.00 0.00 175.35 175.84 2b49 s TYR 714 N -1.02 1.01 -0.19 3.18 1.51 0.10 -1.98 117.35 119.95 2b49 s TYR 714 Ca 0.21 -0.76 -0.00 0.00 -1.01 0.00 0.00 57.07 55.50 2b49 s TYR 714 Cb -0.15 -0.55 0.01 0.00 -0.11 0.00 0.00 41.96 41.16 2b49 s TYR 714 CO 0.10 -0.05 -0.16 0.42 -1.11 0.00 0.00 175.55 174.75 2b49 s ILE 715 N -2.99 2.41 -0.17 2.71 1.01 -0.20 -1.51 121.20 122.46 2b49 s ILE 715 Ca 0.09 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 2b49 s ILE 715 Cb 0.01 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2b49 s ILE 715 CO -0.02 0.51 0.07 0.00 0.00 0.00 0.00 174.94 175.50 2b49 s ALA 716 N 1.34 3.46 0.19 9.38 0.00 -0.14 -0.83 121.76 135.17 2b49 s ALA 716 Ca 0.05 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 2b49 s ALA 716 Cb -0.13 -1.90 -0.00 0.00 0.00 0.00 0.00 23.12 21.08 2b49 s ALA 716 CO -0.10 0.26 0.36 -0.08 0.00 0.00 0.00 175.76 176.20 2b49 s THR 717 N 0.11 0.04 0.71 0.00 -1.32 -0.81 -0.58 115.64 113.79 2b49 s THR 717 Ca 0.05 -1.32 -0.11 0.00 -1.21 0.00 0.00 61.69 59.10 2b49 s THR 717 Cb -0.12 -1.92 0.02 0.00 -1.51 0.00 0.00 72.50 68.97 2b49 s THR 717 CO 0.00 -0.18 1.09 0.00 -2.21 0.00 0.00 174.62 173.32 2b49 s GLN 718 N -3.97 2.76 0.10 7.08 -2.07 -1.21 -3.34 119.66 119.00 2b49 s GLN 718 Ca 0.18 0.38 -0.31 0.00 -1.82 0.00 0.00 55.36 53.79 2b49 s GLN 718 Cb 0.02 -2.04 -0.09 0.00 -1.09 0.00 0.00 33.01 29.81 2b49 s GLN 718 CO 0.02 -1.07 1.71 0.20 -1.32 0.00 0.00 175.29 174.83 2b49 s GLY 719 N -4.38 1.48 0.57 2.60 0.00 -0.23 -4.82 107.32 102.54 2b49 s GLY 719 Ca 0.58 1.31 -0.21 0.00 0.00 0.00 0.00 44.72 46.40 2b49 s GLY 719 CO 0.51 2.95 1.25 -1.55 0.00 0.00 0.00 173.10 176.26 2b49 n PRO 720 N 5.47 1.41 -2.96 2.90 -0.04 -1.26 -4.72 135.00 135.79 2b49 n PRO 720 Ca 0.16 0.53 -0.22 0.00 -0.04 0.00 0.00 63.50 63.93 2b49 n PRO 720 Cb 0.39 -2.45 0.02 0.00 -0.04 0.00 0.00 33.50 31.42 2b49 n PRO 720 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2b49 s LEU 721 N -3.12 3.60 0.40 1.53 1.43 -1.26 -1.62 118.68 119.64 2b49 s LEU 721 Ca 0.74 0.15 0.15 0.00 -1.03 0.00 0.00 54.13 54.14 2b49 s LEU 721 Cb -0.42 -3.04 1.01 0.00 0.03 0.00 0.00 46.19 43.76 2b49 s LEU 721 CO 0.48 -0.77 1.85 -0.65 0.23 0.00 0.00 176.35 177.48 2b49 h PRO 722 N 0.38 0.47 -0.48 1.29 0.11 -1.95 -0.47 132.00 131.35 2b49 h PRO 722 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2b49 h PRO 722 Cb 1.26 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2b49 h PRO 722 CO 0.55 0.31 0.00 -2.39 -0.21 0.00 0.00 178.00 176.27 2b49 n HIS 723 N -4.55 0.63 0.13 0.65 1.44 -1.26 -4.05 115.22 108.22 2b49 n HIS 723 Ca 0.19 -0.32 0.04 0.00 -2.01 0.00 0.00 57.72 55.63 2b49 n HIS 723 Cb 0.65 -0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.82 2b49 n HIS 723 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2b49 n THR 724 N 1.56 0.43 -0.23 0.61 -2.24 -0.22 -4.66 114.28 109.53 2b49 n THR 724 Ca 0.21 -0.71 0.01 0.00 -2.27 0.00 0.00 64.05 61.28 2b49 n THR 724 Cb 0.62 0.88 0.24 0.00 -2.10 0.00 0.00 70.33 69.96 2b49 n THR 724 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b49 h ALA 726 N 1.52 0.81 -0.31 0.00 0.00 -1.85 -1.35 119.26 118.09 2b49 h ALA 726 Ca 0.29 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 2b49 h ALA 726 Cb -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2b49 h ALA 726 CO -0.06 0.15 -0.20 1.96 0.00 0.00 0.00 179.25 181.09 2b49 h GLN 727 N 0.77 0.68 -0.34 0.00 7.50 -1.71 -1.64 115.11 120.36 2b49 h GLN 727 Ca 0.25 -0.32 0.07 0.00 0.50 0.00 0.00 58.65 59.15 2b49 h GLN 727 Cb 0.00 -0.01 -0.08 0.00 0.05 0.00 0.00 27.48 27.45 2b49 h GLN 727 CO -0.09 0.92 -0.16 0.35 -1.50 0.00 0.00 178.83 178.35 2b49 h PHE 728 N 0.44 -0.39 0.00 2.96 3.57 -0.95 -1.21 116.94 121.35 2b49 h PHE 728 Ca 0.06 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 2b49 h PHE 728 Cb 0.75 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2b49 h PHE 728 CO 0.06 -0.24 -0.47 -1.49 -2.23 0.00 0.00 178.31 173.95 2b49 h TRP 729 N -0.10 0.00 -0.58 0.41 4.06 -1.22 -2.29 115.95 116.23 2b49 h TRP 729 Ca 0.17 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.11 2b49 h TRP 729 Cb 0.37 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 2b49 h TRP 729 CO -0.38 0.47 0.33 0.37 -3.56 0.00 0.00 178.44 175.67 2b49 h GLN 730 N 0.00 0.80 -0.07 0.49 5.75 -0.64 0.08 115.11 121.51 2b49 h GLN 730 Ca -0.00 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.42 2b49 h GLN 730 Cb 0.84 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 2b49 h GLN 730 CO 0.06 0.60 0.01 0.28 -2.65 0.00 0.00 178.83 177.13 2b49 h VAL 731 N 0.78 0.97 -0.64 2.39 2.07 -0.78 0.24 116.25 121.28 2b49 h VAL 731 Ca 0.20 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.80 2b49 h VAL 731 Cb 0.02 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 2b49 h VAL 731 CO -0.03 0.01 0.28 0.58 0.02 0.00 0.00 177.57 178.43 2b49 h VAL 732 N 0.05 0.82 0.15 2.57 2.07 -1.20 -1.54 116.25 119.16 2b49 h VAL 732 Ca 0.03 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2b49 h VAL 732 Cb 0.02 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2b49 h VAL 732 CO -0.04 0.09 -0.07 -0.25 0.02 0.00 0.00 177.57 177.32 2b49 h TRP 733 N 0.50 -0.19 -0.79 1.57 2.91 -0.69 -1.56 115.95 117.70 2b49 h TRP 733 Ca 0.32 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.37 2b49 h TRP 733 Cb 0.36 0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 29.03 2b49 h TRP 733 CO -0.14 0.15 0.52 -0.44 -1.03 0.00 0.00 178.44 177.50 2b49 h ASP 734 N -0.56 0.84 0.08 2.65 3.32 -0.29 -1.68 116.42 120.79 2b49 h ASP 734 Ca -0.02 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2b49 h ASP 734 Cb 0.43 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2b49 h ASP 734 CO 0.03 0.58 -0.14 0.00 -1.72 0.00 0.00 179.24 178.00 2b49 n GLN 735 N -4.45 1.37 -4.12 3.56 1.13 -0.60 -4.96 117.38 109.31 2b49 n GLN 735 Ca 0.10 -0.88 -0.29 0.00 -1.94 0.00 0.00 57.00 53.99 2b49 n GLN 735 Cb 0.10 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 28.92 2b49 n GLN 735 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2b49 n LYS 736 N -0.05 -2.00 -2.45 -1.09 4.76 -0.63 -4.91 118.16 111.79 2b49 n LYS 736 Ca 0.15 0.25 -0.40 0.00 -2.87 0.00 0.00 58.31 55.43 2b49 n LYS 736 Cb 0.39 -3.98 -0.04 0.00 -1.84 0.00 0.00 35.03 29.55 2b49 n LYS 736 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2b49 s LEU 737 N -7.17 4.53 0.00 -0.35 1.43 -0.85 -4.95 118.68 111.31 2b49 s LEU 737 Ca 0.04 2.29 0.11 0.00 -1.03 0.00 0.00 54.13 55.54 2b49 s LEU 737 Cb -0.02 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.56 2b49 s LEU 737 CO 0.94 -0.19 0.71 -1.20 0.23 0.00 0.00 176.35 176.85 2b49 n SER 738 N 1.10 1.42 -3.72 2.29 7.64 -1.26 -4.77 113.62 116.32 2b49 n SER 738 Ca -0.01 -1.21 -0.18 0.00 1.01 0.00 0.00 58.87 58.48 2b49 n SER 738 Cb 0.45 0.39 -0.17 0.00 -1.01 0.00 0.00 64.21 63.86 2b49 n SER 738 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2b49 s LEU 739 N -1.58 0.54 -0.13 -3.43 2.96 -1.26 -1.02 118.68 114.75 2b49 s LEU 739 Ca 0.10 0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2b49 s LEU 739 Cb 0.09 -0.14 -0.01 0.00 0.50 0.00 0.00 46.19 46.62 2b49 s LEU 739 CO 0.26 -0.20 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.33 2b49 s ILE 740 N 1.73 3.04 -0.20 6.68 1.01 0.08 -2.19 121.20 131.35 2b49 s ILE 740 Ca -0.01 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 2b49 s ILE 740 Cb -0.12 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.08 2b49 s ILE 740 CO -0.03 0.52 -0.15 -0.69 0.00 0.00 0.00 174.94 174.59 2b49 s VAL 741 N 0.42 2.47 -0.17 2.92 1.01 0.10 -0.52 120.40 126.63 2b49 s VAL 741 Ca -0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2b49 s VAL 741 Cb -0.16 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2b49 s VAL 741 CO 0.05 0.47 -0.09 -0.32 0.00 0.00 0.00 175.10 175.21 2b49 s MET 742 N 1.34 3.40 -0.24 2.72 0.00 0.91 -0.81 119.30 126.63 2b49 s MET 742 Ca 0.05 -0.65 0.13 0.00 0.00 0.00 0.00 55.69 55.22 2b49 s MET 742 Cb -0.14 -2.80 0.59 0.00 0.00 0.00 0.00 34.83 32.48 2b49 s MET 742 CO -0.10 0.05 1.53 1.28 0.00 0.00 0.00 175.02 177.79 2b49 n LEU 743 N 4.02 4.50 -3.97 4.11 4.77 0.05 -0.20 117.00 130.28 2b49 n LEU 743 Ca -0.18 -3.22 -0.09 0.00 -0.03 0.00 0.00 56.01 52.48 2b49 n LEU 743 Cb 0.52 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 2b49 n LEU 743 CO 0.30 0.82 -0.09 0.28 -1.33 0.00 0.00 177.39 177.38 2b49 s THR 744 N -2.96 0.09 0.59 -5.08 -1.32 -1.23 -4.84 115.64 100.89 2b49 s THR 744 Ca 0.46 -1.44 -0.05 0.00 -1.21 0.00 0.00 61.69 59.45 2b49 s THR 744 Cb 0.38 -1.77 0.02 0.00 -1.51 0.00 0.00 72.50 69.62 2b49 s THR 744 CO 0.08 -0.41 0.89 0.42 -2.21 0.00 0.00 174.62 173.39 2b49 s THR 745 N -3.96 3.44 0.30 5.08 -4.23 -1.26 -4.71 115.64 110.30 2b49 s THR 745 Ca 0.16 -0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 2b49 s THR 745 Cb 0.04 -3.36 0.26 0.00 1.34 0.00 0.00 72.50 70.78 2b49 s THR 745 CO -0.02 -0.36 1.97 -0.07 -0.54 0.00 0.00 174.62 175.60 2b49 h LEU 746 N -0.16 0.93 -8.53 4.79 3.38 -1.96 -3.41 115.31 110.35 2b49 h LEU 746 Ca -0.45 -0.02 -0.49 0.00 0.09 0.00 0.00 57.88 57.00 2b49 h LEU 746 Cb 1.27 -0.23 -0.22 0.00 0.09 0.00 0.00 40.66 41.56 2b49 h LEU 746 CO 0.60 0.67 -0.81 0.42 0.09 0.00 0.00 178.44 179.41 2b49 s THR 747 N -5.91 1.41 -0.02 0.22 -4.23 -1.26 -0.37 115.64 105.48 2b49 s THR 747 Ca -0.11 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2b49 s THR 747 Cb 0.18 -1.30 0.02 0.00 1.34 0.00 0.00 72.50 72.74 2b49 s THR 747 CO 0.79 -0.10 0.02 -1.61 -0.54 0.00 0.00 174.62 173.18 2b49 s GLU 748 N -1.70 0.06 -1.31 3.99 2.02 -0.20 -4.85 118.70 116.71 2b49 s GLU 748 Ca 0.03 0.13 -0.00 0.00 0.02 0.00 0.00 54.97 55.14 2b49 s GLU 748 Cb -0.10 -0.28 0.00 0.00 0.10 0.00 0.00 34.13 33.86 2b49 s GLU 748 CO 0.03 -0.13 0.00 2.89 0.02 0.00 0.00 175.26 178.07 2b49 n ARG 749 N 3.99 -0.95 -1.16 1.61 1.85 -1.26 -0.93 116.66 119.81 2b49 n ARG 749 Ca -0.25 0.08 -0.06 0.00 -1.00 0.00 0.00 57.85 56.62 2b49 n ARG 749 Cb 0.52 -3.02 -0.02 0.00 -1.05 0.00 0.00 32.46 28.88 2b49 n ARG 749 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2b49 n GLY 750 N -2.33 0.80 3.32 2.89 0.00 -1.26 -5.00 105.19 103.60 2b49 n GLY 750 Ca -0.27 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 2b49 n GLY 750 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b49 s ARG 751 N -2.11 2.61 0.03 1.61 1.81 -0.10 -5.11 118.95 117.69 2b49 s ARG 751 Ca 0.00 -0.85 -0.30 0.00 -1.72 0.00 0.00 55.73 52.86 2b49 s ARG 751 Cb 0.00 -2.25 -0.04 0.00 -0.45 0.00 0.00 34.95 32.21 2b49 s ARG 751 CO 0.00 0.41 1.09 0.99 -0.68 0.00 0.00 175.30 177.12 2b49 s THR 752 N -0.23 4.44 -0.04 0.02 2.01 -1.26 -1.04 115.64 119.54 2b49 s THR 752 Ca -0.01 1.75 0.08 0.00 0.31 0.00 0.00 61.69 63.82 2b49 s THR 752 Cb -0.13 -4.12 -0.12 0.00 0.01 0.00 0.00 72.50 68.14 2b49 s THR 752 CO 0.03 0.13 0.11 0.29 -0.69 0.00 0.00 174.62 174.49 2b49 n LYS 753 N 3.97 1.40 -3.58 4.92 4.76 0.50 -4.93 118.16 125.20 2b49 n LYS 753 Ca 0.08 -0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.32 2b49 n LYS 753 Cb 0.49 -1.20 -0.07 0.00 -1.84 0.00 0.00 35.03 32.41 2b49 n LYS 753 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b49 s HIS 755 N -0.36 3.76 -0.57 0.00 2.46 -0.64 -4.70 115.29 115.24 2b49 s HIS 755 Ca -0.05 1.51 -0.28 0.00 0.47 0.00 0.00 55.06 56.71 2b49 s HIS 755 Cb -0.03 -2.69 0.01 0.00 -0.13 0.00 0.00 32.58 29.74 2b49 s HIS 755 CO 0.05 0.41 1.42 -1.14 -2.47 0.00 0.00 174.74 173.01 2b49 s GLN 756 N -1.61 3.27 0.00 2.88 0.74 -1.26 -4.71 119.66 118.97 2b49 s GLN 756 Ca 0.40 0.42 0.23 0.00 0.05 0.00 0.00 55.36 56.46 2b49 s GLN 756 Cb -0.19 -4.14 0.45 0.00 1.10 0.00 0.00 33.01 30.23 2b49 s GLN 756 CO 0.23 -1.98 1.41 2.48 -0.55 0.00 0.00 175.29 176.89 2b49 n TYR 757 N 9.67 0.35 -4.30 1.67 4.11 -1.26 -4.91 117.16 122.49 2b49 n TYR 757 Ca 0.12 -0.17 -0.21 0.00 -0.00 0.00 0.00 57.90 57.64 2b49 n TYR 757 Cb 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.72 2b49 n TYR 757 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 2b49 s TRP 758 N -1.65 1.71 0.41 -3.48 -2.14 -1.26 -5.05 118.94 107.48 2b49 s TRP 758 Ca 0.36 -0.48 -0.17 0.00 2.66 0.00 0.00 56.10 58.47 2b49 s TRP 758 Cb 0.21 -0.87 -0.09 0.00 -3.10 0.00 0.00 33.47 29.62 2b49 s TRP 758 CO 0.31 0.27 0.87 -1.25 -2.66 0.00 0.00 176.95 174.48 2b49 s PRO 759 N -2.64 4.04 0.01 3.25 0.04 -1.26 -5.02 135.00 133.42 2b49 s PRO 759 Ca 0.13 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 2b49 s PRO 759 Cb -0.06 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2b49 s PRO 759 CO 0.05 -0.03 1.02 -0.51 0.04 0.00 0.00 177.00 177.57 2b49 s ASP 760 N -2.54 7.32 0.53 6.66 1.01 -1.26 -4.61 116.67 123.78 2b49 s ASP 760 Ca 0.57 1.72 -0.22 0.00 0.71 0.00 0.00 52.55 55.34 2b49 s ASP 760 Cb -0.10 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 2b49 s ASP 760 CO 0.21 -0.29 1.29 -2.84 0.21 0.00 0.00 175.17 173.75 2b49 s PRO 761 N 0.99 3.25 -0.27 8.23 0.02 -1.26 -0.02 135.00 145.94 2b49 s PRO 761 Ca 0.53 2.07 0.03 0.00 0.02 0.00 0.00 61.00 63.65 2b49 s PRO 761 Cb -0.23 -2.24 0.44 0.00 0.02 0.00 0.00 34.50 32.49 2b49 s PRO 761 CO 0.28 -1.05 1.55 -0.35 -0.33 0.00 0.00 177.00 177.11 2b49 n PRO 762 N -0.99 2.01 -1.37 5.54 -0.04 -1.26 -5.11 135.00 133.78 2b49 n PRO 762 Ca 0.10 -1.93 -0.29 0.00 -0.04 0.00 0.00 63.50 61.34 2b49 n PRO 762 Cb 0.46 -1.78 0.14 0.00 -0.04 0.00 0.00 33.50 32.28 2b49 n PRO 762 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2b49 s ASP 763 N -0.47 3.33 0.21 3.54 1.01 0.98 -4.99 116.67 120.28 2b49 s ASP 763 Ca 0.36 1.15 0.06 0.00 0.71 0.00 0.00 52.55 54.84 2b49 s ASP 763 Cb 0.30 -1.80 -0.05 0.00 1.01 0.00 0.00 42.92 42.38 2b49 s ASP 763 CO 0.07 -2.68 -0.09 0.68 0.21 0.00 0.00 175.17 173.36 2b49 s VAL 764 N -3.11 1.46 0.12 -1.27 -7.23 -1.26 -4.35 120.40 104.77 2b49 s VAL 764 Ca 0.64 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 2b49 s VAL 764 Cb -0.16 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2b49 s VAL 764 CO 0.55 -0.51 -0.09 -0.04 -0.31 0.00 0.00 175.10 174.70 2b49 s MET 765 N -3.73 0.96 -0.08 4.82 -1.94 -0.61 -4.87 119.30 113.85 2b49 s MET 765 Ca 0.24 -1.36 -0.00 0.00 -1.71 0.00 0.00 55.69 52.86 2b49 s MET 765 Cb 0.02 -0.50 0.02 0.00 2.01 0.00 0.00 34.83 36.38 2b49 s MET 765 CO 0.07 0.05 -0.05 -0.80 -0.01 0.00 0.00 175.02 174.28 2b49 s ASN 766 N -2.97 1.75 -0.07 3.03 0.01 -1.26 -0.27 114.94 115.16 2b49 s ASN 766 Ca 0.13 -0.21 -0.02 0.00 -0.71 0.00 0.00 52.86 52.05 2b49 s ASN 766 Cb 0.02 -0.66 0.03 0.00 0.41 0.00 0.00 41.25 41.05 2b49 s ASN 766 CO -0.01 -0.11 0.01 -1.00 -1.51 0.00 0.00 177.10 174.48 2b49 s HIS 767 N 1.52 0.59 -1.46 2.20 3.76 0.12 -4.88 115.29 117.14 2b49 s HIS 767 Ca -0.00 -0.14 -0.04 0.00 -0.15 0.00 0.00 55.06 54.72 2b49 s HIS 767 Cb -0.13 -0.77 0.02 0.00 1.11 0.00 0.00 32.58 32.81 2b49 s HIS 767 CO -0.04 -0.33 0.40 0.41 -0.85 0.00 0.00 174.74 174.33 2b49 n GLY 768 N 5.17 -0.51 2.00 -2.22 0.00 -1.26 -1.26 105.19 107.11 2b49 n GLY 768 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2b49 n GLY 768 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b49 n GLY 769 N -1.27 0.62 3.58 -0.02 0.00 -1.26 -4.99 105.19 101.85 2b49 n GLY 769 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2b49 n GLY 769 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b49 s PHE 770 N -2.33 3.18 -0.12 1.61 0.08 -0.38 -1.16 117.98 118.85 2b49 s PHE 770 Ca 0.00 -0.06 -0.20 0.00 0.12 0.00 0.00 56.93 56.78 2b49 s PHE 770 Cb 0.00 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 2b49 s PHE 770 CO 0.00 0.06 0.58 -1.58 -0.10 0.00 0.00 175.22 174.17 2b49 s HIS 771 N 0.50 3.50 -0.10 0.36 5.65 -0.02 -0.71 115.29 124.47 2b49 s HIS 771 Ca 0.02 1.00 0.03 0.00 0.25 0.00 0.00 55.06 56.35 2b49 s HIS 771 Cb -0.13 -2.68 -0.01 0.00 -1.18 0.00 0.00 32.58 28.58 2b49 s HIS 771 CO 0.01 0.06 -0.20 0.42 -0.65 0.00 0.00 174.74 174.39 2b49 s ILE 772 N 0.98 2.47 -0.00 0.89 1.09 0.63 -0.65 121.20 126.61 2b49 s ILE 772 Ca 0.30 -0.88 0.05 0.00 -1.10 0.00 0.00 60.65 59.02 2b49 s ILE 772 Cb -0.16 -1.98 -0.01 0.00 -1.06 0.00 0.00 42.46 39.25 2b49 s ILE 772 CO 0.13 0.55 -0.16 -1.10 -0.10 0.00 0.00 174.94 174.25 2b49 s GLN 773 N 0.23 1.30 -0.35 2.79 -0.21 -0.56 -1.57 119.66 121.29 2b49 s GLN 773 Ca -0.13 -0.62 -0.13 0.00 0.02 0.00 0.00 55.36 54.50 2b49 s GLN 773 Cb -0.16 -1.27 -0.01 0.00 1.00 0.00 0.00 33.01 32.57 2b49 s GLN 773 CO 0.07 0.34 0.24 0.00 -2.12 0.00 0.00 175.29 173.82 2b49 h GLN 775 N 8.50 0.08 -2.74 0.00 1.08 -0.90 -3.43 115.11 117.71 2b49 h GLN 775 Ca -0.30 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 56.71 2b49 h GLN 775 Cb 1.15 0.05 -0.15 0.00 -0.05 0.00 0.00 27.48 28.48 2b49 h GLN 775 CO 0.65 1.01 0.10 -1.54 -0.95 0.00 0.00 178.83 178.10 2b49 s SER 776 N -6.77 -0.49 -0.16 1.46 1.04 -1.21 -4.95 113.70 102.62 2b49 s SER 776 Ca -0.02 0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.55 2b49 s SER 776 Cb 0.09 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.81 2b49 s SER 776 CO 0.84 -0.77 0.32 -0.70 0.98 0.00 0.00 173.24 173.90 2b49 s GLU 777 N -2.64 0.21 -0.05 4.02 2.12 -1.26 -1.79 118.70 119.31 2b49 s GLU 777 Ca -0.04 0.84 0.01 0.00 0.36 0.00 0.00 54.97 56.13 2b49 s GLU 777 Cb -0.00 0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.48 2b49 s GLU 777 CO -0.03 -0.29 -0.04 -0.51 -0.54 0.00 0.00 175.26 173.85 2b49 s ASP 778 N 2.49 1.09 0.03 -1.70 1.01 0.09 -5.00 116.67 114.68 2b49 s ASP 778 Ca 0.01 -0.13 0.01 0.00 0.71 0.00 0.00 52.55 53.15 2b49 s ASP 778 Cb -0.12 -0.46 -0.04 0.00 1.01 0.00 0.00 42.92 43.31 2b49 s ASP 778 CO -0.10 -0.08 0.08 0.00 0.21 0.00 0.00 175.17 175.28 2b49 n THR 780 N 0.91 0.00 -0.10 0.00 -2.24 -0.06 -5.01 114.28 107.78 2b49 n THR 780 Ca -0.11 -1.64 -0.06 0.00 -2.27 0.00 0.00 64.05 59.97 2b49 n THR 780 Cb 0.52 0.18 0.01 0.00 -2.10 0.00 0.00 70.33 68.94 2b49 n THR 780 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2b49 h ILE 781 N 1.00 0.76 0.00 2.28 2.04 -2.03 -3.32 117.51 118.25 2b49 h ILE 781 Ca -0.28 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2b49 h ILE 781 Cb 0.90 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2b49 h ILE 781 CO 0.46 0.02 -0.72 0.00 0.00 0.00 0.00 178.15 177.91 2b49 n ALA 782 N -2.48 3.67 -3.19 1.87 0.00 -1.26 -4.84 120.51 114.29 2b49 n ALA 782 Ca 0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 2b49 n ALA 782 Cb 0.18 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 2b49 n ALA 782 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2b49 s TYR 783 N -2.34 0.15 -0.04 0.00 1.13 -1.25 -0.75 117.35 114.25 2b49 s TYR 783 Ca 0.04 -0.52 0.06 0.00 -1.41 0.00 0.00 57.07 55.24 2b49 s TYR 783 Cb 0.10 0.26 -0.01 0.00 -1.10 0.00 0.00 41.96 41.21 2b49 s TYR 783 CO 0.56 -0.93 -0.21 0.08 -2.51 0.00 0.00 175.55 172.53 2b49 s VAL 784 N -3.95 1.74 -0.16 -3.49 1.01 0.03 -0.88 120.40 114.72 2b49 s VAL 784 Ca 0.16 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2b49 s VAL 784 Cb -0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2b49 s VAL 784 CO 0.03 0.49 -0.12 -0.55 0.00 0.00 0.00 175.10 174.95 2b49 s SER 785 N -0.16 3.93 0.03 3.32 0.15 -0.03 -0.75 113.70 120.18 2b49 s SER 785 Ca -0.01 -0.39 0.05 0.00 0.70 0.00 0.00 55.95 56.30 2b49 s SER 785 Cb -0.12 -1.62 -0.02 0.00 -1.71 0.00 0.00 66.02 62.56 2b49 s SER 785 CO 0.02 0.10 -0.16 -0.13 1.20 0.00 0.00 173.24 174.27 2b49 s ARG 786 N 0.74 1.11 -0.23 5.44 0.52 -0.14 -0.73 118.95 125.65 2b49 s ARG 786 Ca -0.05 -0.73 -0.08 0.00 -0.52 0.00 0.00 55.73 54.34 2b49 s ARG 786 Cb -0.15 -1.13 -0.04 0.00 0.52 0.00 0.00 34.95 34.16 2b49 s ARG 786 CO 0.01 0.29 0.09 -1.21 0.02 0.00 0.00 175.30 174.50 2b49 s GLU 787 N -0.93 3.81 -0.10 3.54 0.41 -0.74 -0.77 118.70 123.92 2b49 s GLU 787 Ca 0.04 -0.41 -0.02 0.00 -0.41 0.00 0.00 54.97 54.18 2b49 s GLU 787 Cb -0.07 -3.34 -0.03 0.00 -1.78 0.00 0.00 34.13 28.91 2b49 s GLU 787 CO 0.01 -0.03 -0.03 -1.64 -0.49 0.00 0.00 175.26 173.08 2b49 s MET 788 N 1.21 3.10 -0.28 1.61 -1.94 0.13 -0.14 119.30 123.00 2b49 s MET 788 Ca 0.05 -0.48 -0.09 0.00 -1.71 0.00 0.00 55.69 53.46 2b49 s MET 788 Cb -0.14 -2.76 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 2b49 s MET 788 CO 0.04 0.56 0.12 -1.17 -0.01 0.00 0.00 175.02 174.56 2b49 s LEU 789 N -0.51 3.83 -0.18 -0.03 2.96 0.18 -0.94 118.68 123.99 2b49 s LEU 789 Ca 0.08 -0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 2b49 s LEU 789 Cb -0.12 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2b49 s LEU 789 CO 0.02 -0.11 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.25 2b49 s VAL 790 N 1.64 4.08 -0.12 1.68 1.01 0.06 -1.49 120.40 127.25 2b49 s VAL 790 Ca 0.06 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2b49 s VAL 790 Cb -0.16 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.40 2b49 s VAL 790 CO 0.06 0.46 -0.22 -0.89 0.00 0.00 0.00 175.10 174.51 2b49 s THR 791 N 0.63 2.01 -0.45 3.92 2.01 0.18 -0.81 115.64 123.13 2b49 s THR 791 Ca -0.01 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 60.75 2b49 s THR 791 Cb -0.14 -1.76 0.03 0.00 0.01 0.00 0.00 72.50 70.64 2b49 s THR 791 CO 0.02 0.54 1.06 0.21 -0.69 0.00 0.00 174.62 175.77 2b49 s ASN 792 N 0.64 6.64 0.29 3.53 3.84 -0.21 -0.84 114.94 128.83 2b49 s ASN 792 Ca -0.12 0.46 0.25 0.00 0.21 0.00 0.00 52.86 53.66 2b49 s ASN 792 Cb -0.16 -2.52 1.04 0.00 -0.55 0.00 0.00 41.25 39.05 2b49 s ASN 792 CO 0.02 -1.13 1.74 0.71 -2.79 0.00 0.00 177.10 175.66 2b49 h THR 793 N 6.10 0.00 0.01 -5.21 1.35 -1.46 0.39 112.91 114.08 2b49 h THR 793 Ca -0.23 -0.25 -0.24 0.00 -0.55 0.00 0.00 66.41 65.14 2b49 h THR 793 Cb 1.07 1.00 0.01 0.00 -1.73 0.00 0.00 68.15 68.49 2b49 h THR 793 CO 1.08 0.00 -1.00 1.56 -0.25 0.00 0.00 175.52 176.91 2b49 h GLN 794 N 0.00 0.51 0.00 4.72 1.08 -1.91 -3.39 115.11 116.11 2b49 h GLN 794 Ca 0.00 -0.56 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 2b49 h GLN 794 Cb 0.36 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2b49 h GLN 794 CO 0.00 1.19 -0.49 0.25 -0.95 0.00 0.00 178.83 178.83 2b49 n THR 795 N -3.78 0.00 -0.56 -0.54 -2.24 -0.89 -5.00 114.28 101.27 2b49 n THR 795 Ca -0.08 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2b49 n THR 795 Cb 0.86 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 2b49 n THR 795 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b49 n GLY 796 N 1.50 1.66 3.77 3.38 0.00 0.13 -5.00 105.19 110.64 2b49 n GLY 796 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2b49 n GLY 796 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b49 s GLU 797 N -0.05 4.20 0.08 1.61 2.12 -1.24 -4.75 118.70 120.66 2b49 s GLU 797 Ca 0.00 2.12 0.07 0.00 0.36 0.00 0.00 54.97 57.52 2b49 s GLU 797 Cb 0.00 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.43 2b49 s GLU 797 CO 0.00 -0.29 -0.14 -1.21 -0.54 0.00 0.00 175.26 173.08 2b49 s GLU 798 N -1.99 2.06 -0.01 4.30 2.02 -1.26 -1.04 118.70 122.77 2b49 s GLU 798 Ca 0.52 -1.02 -0.00 0.00 0.02 0.00 0.00 54.97 54.49 2b49 s GLU 798 Cb -0.37 -2.24 0.01 0.00 0.10 0.00 0.00 34.13 31.63 2b49 s GLU 798 CO 0.49 0.52 0.02 -1.58 0.02 0.00 0.00 175.26 174.73 2b49 s HIS 799 N -1.09 0.00 -0.15 1.61 5.65 0.01 -4.99 115.29 116.33 2b49 s HIS 799 Ca 0.18 0.08 -0.07 0.00 0.25 0.00 0.00 55.06 55.49 2b49 s HIS 799 Cb -0.11 -0.09 -0.04 0.00 -1.18 0.00 0.00 32.58 31.16 2b49 s HIS 799 CO 0.10 -0.04 0.11 0.99 -0.65 0.00 0.00 174.74 175.24 2b49 s THR 800 N 0.45 5.22 -0.06 0.89 2.01 -1.26 -0.76 115.64 122.13 2b49 s THR 800 Ca -0.04 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.09 2b49 s THR 800 Cb -0.05 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.16 2b49 s THR 800 CO -0.01 0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.67 2b49 s VAL 801 N -0.39 0.95 -0.12 3.82 1.01 -0.12 -4.69 120.40 120.87 2b49 s VAL 801 Ca 0.11 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 2b49 s VAL 801 Cb -0.12 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2b49 s VAL 801 CO 0.01 0.32 0.61 -0.89 0.00 0.00 0.00 175.10 175.15 2b49 s THR 802 N 0.76 5.09 -0.21 3.92 2.01 -0.19 0.22 115.64 127.24 2b49 s THR 802 Ca -0.13 1.22 -0.02 0.00 0.31 0.00 0.00 61.69 63.07 2b49 s THR 802 Cb -0.15 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.42 2b49 s THR 802 CO 0.02 0.24 -0.10 -2.28 -0.69 0.00 0.00 174.62 171.81 2b49 s HIS 803 N 1.03 2.92 -0.19 4.92 5.04 0.05 -0.74 115.29 128.30 2b49 s HIS 803 Ca 0.32 -1.33 -0.03 0.00 -1.54 0.00 0.00 55.06 52.47 2b49 s HIS 803 Cb -0.16 -2.03 -0.01 0.00 0.04 0.00 0.00 32.58 30.42 2b49 s HIS 803 CO 0.14 -0.68 -0.06 -0.51 -2.34 0.00 0.00 174.74 171.28 2b49 s LEU 804 N 1.38 2.93 -0.19 8.88 1.43 0.32 -0.97 118.68 132.45 2b49 s LEU 804 Ca 0.04 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2b49 s LEU 804 Cb -0.14 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.37 2b49 s LEU 804 CO -0.07 0.05 -0.17 -1.58 0.23 0.00 0.00 176.35 174.81 2b49 s GLN 805 N 1.04 3.01 -0.20 1.70 0.74 0.07 -0.06 119.66 125.95 2b49 s GLN 805 Ca 0.00 -0.83 -0.25 0.00 0.05 0.00 0.00 55.36 54.34 2b49 s GLN 805 Cb -0.15 -2.66 -0.01 0.00 1.10 0.00 0.00 33.01 31.29 2b49 s GLN 805 CO -0.00 -0.23 0.81 -0.47 -0.55 0.00 0.00 175.29 174.85 2b49 s TYR 806 N 1.31 3.37 -0.52 1.67 5.04 0.72 -0.79 117.35 128.16 2b49 s TYR 806 Ca 0.04 1.18 0.09 0.00 -2.44 0.00 0.00 57.07 55.94 2b49 s TYR 806 Cb -0.14 -3.01 -0.07 0.00 0.35 0.00 0.00 41.96 39.10 2b49 s TYR 806 CO -0.11 -0.29 0.43 1.33 -1.34 0.00 0.00 175.55 175.57 2b49 n VAL 807 N 4.93 0.00 1.02 3.14 0.24 0.07 -3.53 118.33 124.20 2b49 n VAL 807 Ca 0.04 -0.32 0.12 0.00 -2.04 0.00 0.00 64.34 62.14 2b49 n VAL 807 Cb 0.48 1.03 0.32 0.00 -1.47 0.00 0.00 33.84 34.20 2b49 n VAL 807 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b49 n ALA 808 N -0.97 2.50 -2.16 2.33 0.00 -1.15 -4.87 120.51 116.18 2b49 n ALA 808 Ca 0.02 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 2b49 n ALA 808 Cb 0.15 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 2b49 n ALA 808 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2b49 s TRP 809 N -1.79 3.38 0.68 0.00 -0.11 -1.26 -4.93 118.94 114.91 2b49 s TRP 809 Ca 0.34 1.29 -0.15 0.00 1.22 0.00 0.00 56.10 58.81 2b49 s TRP 809 Cb 0.20 -3.49 0.01 0.00 -1.50 0.00 0.00 33.47 28.69 2b49 s TRP 809 CO 0.29 -1.50 1.13 -1.25 -4.62 0.00 0.00 176.95 171.00 2b49 s PRO 810 N 0.34 2.65 0.48 5.86 0.04 -1.26 -4.91 135.00 138.19 2b49 s PRO 810 Ca 0.57 1.44 0.27 0.00 0.04 0.00 0.00 61.00 63.32 2b49 s PRO 810 Cb -0.33 -1.93 1.12 0.00 0.04 0.00 0.00 34.50 33.40 2b49 s PRO 810 CO 0.34 -1.38 1.90 -0.44 0.04 0.00 0.00 177.00 177.46 2b49 h ASP 811 N -0.10 0.00 -4.32 6.66 3.45 -1.99 -3.42 116.42 116.71 2b49 h ASP 811 Ca -0.47 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.38 2b49 h ASP 811 Cb 1.25 0.00 -0.27 0.00 -0.56 0.00 0.00 39.33 39.76 2b49 h ASP 811 CO 0.53 0.16 -0.85 -1.00 -1.57 0.00 0.00 179.24 176.51 2b49 s HIS 812 N -3.74 1.95 0.00 4.55 3.76 -1.26 -4.90 115.29 115.65 2b49 s HIS 812 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2b49 s HIS 812 Cb 0.10 -1.18 0.00 0.00 1.11 0.00 0.00 32.58 32.62 2b49 s HIS 812 CO 0.61 0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.98 2b49 n GLY 813 N 1.96 2.10 3.19 -2.22 0.00 -1.26 -4.88 105.19 104.08 2b49 n GLY 813 Ca -0.17 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 2b49 n GLY 813 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2b49 s VAL 814 N 0.00 0.83 0.21 1.61 -7.23 -1.26 -4.70 120.40 109.86 2b49 s VAL 814 Ca 0.00 -1.95 -0.31 0.00 -1.81 0.00 0.00 61.98 57.90 2b49 s VAL 814 Cb 0.00 -1.71 -0.15 0.00 0.56 0.00 0.00 36.38 35.08 2b49 s VAL 814 CO 0.00 -0.83 1.17 -2.65 -0.31 0.00 0.00 175.10 172.48 2b49 n PRO 815 N -0.05 1.37 -0.09 4.82 -0.02 -1.26 -4.83 135.00 134.94 2b49 n PRO 815 Ca -0.12 0.49 -0.08 0.00 -2.02 0.00 0.00 63.50 61.77 2b49 n PRO 815 Cb 0.61 -1.98 0.08 0.00 -0.02 0.00 0.00 33.50 32.18 2b49 n PRO 815 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2b49 h ASP 816 N 3.17 0.81 -3.15 2.55 3.32 -1.98 -3.41 116.42 117.73 2b49 h ASP 816 Ca -0.43 -0.30 -0.67 0.00 0.02 0.00 0.00 57.03 55.65 2b49 h ASP 816 Cb 1.33 -0.22 -0.34 0.00 0.22 0.00 0.00 39.33 40.31 2b49 h ASP 816 CO 0.69 1.02 -0.87 -0.62 -1.72 0.00 0.00 179.24 177.74 2b49 s ASP 817 N -6.76 3.10 0.00 6.45 -1.08 -1.26 -5.02 116.67 112.10 2b49 s ASP 817 Ca -0.09 -0.62 0.29 0.00 -0.52 0.00 0.00 52.55 51.61 2b49 s ASP 817 Cb 0.13 -1.45 1.29 0.00 -1.46 0.00 0.00 42.92 41.43 2b49 s ASP 817 CO 0.84 0.05 1.94 -1.20 0.52 0.00 0.00 175.17 177.32 2b49 n SER 818 N 4.26 0.00 0.07 -0.34 7.64 -1.26 -4.41 113.62 119.58 2b49 n SER 818 Ca -0.20 0.33 -0.12 0.00 1.01 0.00 0.00 58.87 59.89 2b49 n SER 818 Cb 0.51 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 63.21 2b49 n SER 818 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2b49 h SER 819 N 0.00 -0.95 -0.95 6.43 0.87 -1.98 -0.48 113.55 116.48 2b49 h SER 819 Ca 0.00 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 2b49 h SER 819 Cb 0.43 0.38 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 2b49 h SER 819 CO 0.00 -0.39 0.63 0.44 -0.53 0.00 0.00 176.83 176.98 2b49 h ASP 820 N -0.48 1.08 -0.43 6.23 3.32 -2.00 -0.90 116.42 123.24 2b49 h ASP 820 Ca 0.06 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 2b49 h ASP 820 Cb 0.56 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2b49 h ASP 820 CO -0.26 0.77 -0.07 0.15 -1.72 0.00 0.00 179.24 178.11 2b49 h PHE 821 N 1.27 0.96 -0.56 4.55 3.57 -1.71 -1.55 116.94 123.47 2b49 h PHE 821 Ca 0.36 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 2b49 h PHE 821 Cb -0.12 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 2b49 h PHE 821 CO -0.01 0.90 0.07 -0.07 -2.23 0.00 0.00 178.31 176.98 2b49 h LEU 822 N 0.80 0.91 -1.07 0.59 3.38 -0.44 -0.80 115.31 118.68 2b49 h LEU 822 Ca 0.14 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2b49 h LEU 822 Cb 0.58 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 2b49 h LEU 822 CO 0.04 0.95 0.63 -0.33 0.09 0.00 0.00 178.44 179.82 2b49 h GLU 823 N 0.83 1.21 -0.25 1.13 5.08 -1.04 -0.87 114.58 120.69 2b49 h GLU 823 Ca 0.17 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2b49 h GLU 823 Cb 0.44 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2b49 h GLU 823 CO 0.02 0.80 0.05 0.35 -1.00 0.00 0.00 179.01 179.23 2b49 h PHE 824 N 1.25 0.42 -0.91 4.33 3.57 -0.75 -0.60 116.94 124.25 2b49 h PHE 824 Ca 0.36 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 2b49 h PHE 824 Cb -0.07 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 2b49 h PHE 824 CO -0.00 0.50 0.50 0.28 -2.23 0.00 0.00 178.31 177.36 2b49 h VAL 825 N 0.22 1.26 -0.86 1.41 2.07 -0.88 0.03 116.25 119.50 2b49 h VAL 825 Ca 0.08 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 67.01 2b49 h VAL 825 Cb 0.30 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.04 2b49 h VAL 825 CO 0.00 0.29 0.53 0.78 0.02 0.00 0.00 177.57 179.20 2b49 h ASN 826 N 1.27 0.85 -0.21 0.57 2.35 -0.88 -0.18 115.58 119.34 2b49 h ASN 826 Ca 0.32 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.05 2b49 h ASN 826 Cb 0.02 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2b49 h ASN 826 CO -0.05 0.55 -0.00 0.22 -1.65 0.00 0.00 177.43 176.49 2b49 h TYR 827 N 0.98 0.41 -0.44 1.19 3.20 -0.32 -1.12 116.97 120.87 2b49 h TYR 827 Ca 0.37 -0.07 0.07 0.00 3.14 0.00 0.00 58.73 62.24 2b49 h TYR 827 Cb 0.15 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.25 2b49 h TYR 827 CO -0.03 0.56 0.06 0.28 -1.64 0.00 0.00 178.16 177.39 2b49 h VAL 828 N 0.13 0.73 -0.91 1.81 2.07 -0.63 -1.02 116.25 118.43 2b49 h VAL 828 Ca 0.06 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2b49 h VAL 828 Cb 0.40 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2b49 h VAL 828 CO 0.01 0.03 0.59 0.03 0.02 0.00 0.00 177.57 178.26 2b49 h ARG 829 N 0.18 1.04 0.00 1.57 3.08 -0.91 -1.64 114.38 117.71 2b49 h ARG 829 Ca 0.22 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2b49 h ARG 829 Cb 0.29 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2b49 h ARG 829 CO -0.31 0.69 -0.09 0.66 -1.07 0.00 0.00 179.97 179.85 2b49 h SER 830 N 1.07 0.00 0.10 7.04 4.64 0.12 -2.82 113.55 123.70 2b49 h SER 830 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2b49 h SER 830 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2b49 h SER 830 CO -0.13 0.09 -1.02 0.18 -0.87 0.00 0.00 176.83 175.08 2b49 n LEU 831 N -3.93 0.83 -4.77 5.97 4.77 -0.67 -4.96 117.00 114.24 2b49 n LEU 831 Ca -0.02 -0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.19 2b49 n LEU 831 Cb 0.18 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2b49 n LEU 831 CO 0.31 0.20 1.08 -0.60 -1.33 0.00 0.00 177.39 177.05 2b49 s ARG 832 N -3.06 4.05 -0.03 3.23 3.52 -0.91 -4.99 118.95 120.77 2b49 s ARG 832 Ca 0.07 2.45 0.05 0.00 -0.13 0.00 0.00 55.73 58.16 2b49 s ARG 832 Cb 0.16 -2.91 -0.03 0.00 -1.56 0.00 0.00 34.95 30.62 2b49 s ARG 832 CO 0.85 -0.53 -0.15 0.08 -0.81 0.00 0.00 175.30 174.73 2b49 s VAL 833 N -1.15 2.97 0.13 7.11 1.01 -1.26 -5.06 120.40 124.14 2b49 s VAL 833 Ca 0.54 -0.84 -0.35 0.00 0.00 0.00 0.00 61.98 61.32 2b49 s VAL 833 Cb -0.44 -2.18 -0.15 0.00 0.00 0.00 0.00 36.38 33.61 2b49 s VAL 833 CO 0.59 0.53 1.42 -0.67 0.00 0.00 0.00 175.10 176.97 2b49 n ASP 834 N 2.13 2.22 -0.67 3.32 -0.08 -1.26 -2.06 116.55 120.15 2b49 n ASP 834 Ca -0.17 1.11 -0.09 0.00 -1.51 0.00 0.00 54.79 54.13 2b49 n ASP 834 Cb 0.52 -1.29 -0.04 0.00 2.34 0.00 0.00 41.12 42.65 2b49 n ASP 834 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2b49 n SER 835 N 2.79 -5.01 -4.27 1.67 3.41 -1.26 -4.97 113.62 105.98 2b49 n SER 835 Ca 0.17 0.22 -0.32 0.00 -0.26 0.00 0.00 58.87 58.67 2b49 n SER 835 Cb 0.24 -3.28 -0.16 0.00 -0.26 0.00 0.00 64.21 60.75 2b49 n SER 835 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2b49 s GLU 836 N -2.51 3.19 0.55 4.33 2.12 -0.88 -5.02 118.70 120.48 2b49 s GLU 836 Ca 0.00 -0.79 -0.19 0.00 0.36 0.00 0.00 54.97 54.35 2b49 s GLU 836 Cb 0.00 -2.47 -0.05 0.00 0.26 0.00 0.00 34.13 31.87 2b49 s GLU 836 CO 0.00 0.16 1.12 -2.14 -0.54 0.00 0.00 175.26 173.86 2b49 s PRO 837 N 0.44 3.34 -0.21 4.30 0.02 -1.26 -4.63 135.00 136.99 2b49 s PRO 837 Ca -0.14 1.56 -0.10 0.00 0.02 0.00 0.00 61.00 62.35 2b49 s PRO 837 Cb -0.17 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.30 2b49 s PRO 837 CO 0.06 -0.85 0.12 0.08 -0.33 0.00 0.00 177.00 176.08 2b49 s VAL 838 N -1.85 5.23 -0.16 3.83 1.01 -0.84 -4.66 120.40 122.97 2b49 s VAL 838 Ca 0.72 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.56 2b49 s VAL 838 Cb -0.23 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2b49 s VAL 838 CO 0.28 0.41 0.87 -0.22 0.00 0.00 0.00 175.10 176.43 2b49 s LEU 839 N 0.64 4.19 -0.05 3.92 2.96 -0.93 -1.03 118.68 128.38 2b49 s LEU 839 Ca 0.07 1.25 0.04 0.00 -0.22 0.00 0.00 54.13 55.26 2b49 s LEU 839 Cb -0.12 -3.30 0.00 0.00 0.50 0.00 0.00 46.19 43.27 2b49 s LEU 839 CO 0.01 -0.41 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.78 2b49 s VAL 840 N 2.11 1.37 0.04 1.68 1.01 -0.01 0.03 120.40 126.64 2b49 s VAL 840 Ca 0.40 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 2b49 s VAL 840 Cb -0.17 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2b49 s VAL 840 CO 0.13 0.40 0.10 -1.38 0.00 0.00 0.00 175.10 174.35 2b49 s HIS 841 N 0.18 0.21 0.00 5.22 -3.43 0.01 -1.93 115.29 115.56 2b49 s HIS 841 Ca -0.07 -0.54 0.00 0.00 -0.80 0.00 0.00 55.06 53.65 2b49 s HIS 841 Cb -0.13 -0.15 0.00 0.00 -1.43 0.00 0.00 32.58 30.87 2b49 s HIS 841 CO 0.03 -0.38 0.00 0.00 -2.00 0.00 0.00 174.74 172.39 2b49 h SER 843 N 0.00 0.00 0.14 0.00 4.64 -1.89 -2.12 113.55 114.32 2b49 h SER 843 Ca 0.00 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2b49 h SER 843 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2b49 h SER 843 CO 0.00 0.86 -0.88 0.00 -0.87 0.00 0.00 176.83 175.95 2b49 n ALA 844 N -2.84 4.41 -1.88 5.18 0.00 -1.26 -1.07 120.51 123.05 2b49 n ALA 844 Ca -0.09 -0.53 -0.08 0.00 0.00 0.00 0.00 53.44 52.75 2b49 n ALA 844 Cb 0.32 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 2b49 n ALA 844 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b49 n GLY 845 N 1.50 0.31 0.00 0.00 0.00 -1.21 -4.09 105.19 101.70 2b49 n GLY 845 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2b49 n GLY 845 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2b49 n ILE 846 N -3.66 0.00 0.00 -0.61 -5.35 -1.26 -4.47 119.36 104.02 2b49 n ILE 846 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 2b49 n ILE 846 Cb 0.48 -0.42 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 2b49 n ILE 846 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b49 n GLY 847 N 2.32 0.82 0.24 3.28 0.00 -1.26 -0.02 105.19 110.57 2b49 n GLY 847 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2b49 n GLY 847 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2b49 h ARG 848 N 0.00 0.33 -0.59 1.61 3.08 -1.95 -1.20 114.38 115.65 2b49 h ARG 848 Ca 0.00 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 59.97 2b49 h ARG 848 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2b49 h ARG 848 CO 0.00 0.48 0.39 1.15 -1.07 0.00 0.00 179.97 180.92 2b49 h THR 849 N 0.31 1.13 -0.60 2.04 2.02 -1.88 -0.91 112.91 115.02 2b49 h THR 849 Ca 0.06 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2b49 h THR 849 Cb 0.45 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2b49 h THR 849 CO 0.03 0.14 0.20 1.23 0.37 0.00 0.00 175.52 177.49 2b49 h GLY 850 N 0.78 0.99 0.56 2.16 0.00 -0.94 -1.49 103.07 105.12 2b49 h GLY 850 Ca 0.22 -0.57 0.06 0.00 0.00 0.00 0.00 47.33 47.04 2b49 h GLY 850 CO -0.06 0.54 0.17 -2.08 0.00 0.00 0.00 176.54 175.11 2b49 h VAL 851 N 0.84 0.84 0.31 4.60 2.07 -0.99 -0.10 116.25 123.82 2b49 h VAL 851 Ca 0.19 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2b49 h VAL 851 Cb 0.27 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2b49 h VAL 851 CO -0.01 0.06 -0.15 0.25 0.02 0.00 0.00 177.57 177.75 2b49 h LEU 852 N 0.35 -0.35 -0.87 2.57 7.12 -0.90 -1.01 115.31 122.22 2b49 h LEU 852 Ca 0.23 -0.01 0.06 0.00 0.13 0.00 0.00 57.88 58.29 2b49 h LEU 852 Cb 0.23 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.39 2b49 h LEU 852 CO -0.23 -0.22 0.54 0.58 -0.13 0.00 0.00 178.44 178.98 2b49 h VAL 853 N -0.44 1.04 -0.45 1.05 2.07 -1.15 -0.94 116.25 117.43 2b49 h VAL 853 Ca -0.04 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2b49 h VAL 853 Cb 0.34 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2b49 h VAL 853 CO 0.07 0.18 0.21 0.74 0.02 0.00 0.00 177.57 178.79 2b49 h THR 854 N 0.99 1.19 -0.33 2.57 2.02 -0.79 -1.81 112.91 116.75 2b49 h THR 854 Ca 0.38 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 2b49 h THR 854 Cb 0.18 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2b49 h THR 854 CO -0.18 0.21 0.14 0.24 0.37 0.00 0.00 175.52 176.30 2b49 h MET 855 N 0.59 0.48 -0.71 6.66 2.07 -0.46 0.02 114.93 123.58 2b49 h MET 855 Ca 0.16 -0.08 -0.02 0.00 -2.07 0.00 0.00 59.70 57.68 2b49 h MET 855 Cb 0.14 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.75 2b49 h MET 855 CO -0.02 0.48 0.37 1.49 1.07 0.00 0.00 176.91 180.29 2b49 h GLU 856 N 0.38 1.01 -0.21 1.72 4.81 -1.11 -0.34 114.58 120.84 2b49 h GLU 856 Ca 0.11 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2b49 h GLU 856 Cb 0.17 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2b49 h GLU 856 CO -0.01 0.78 0.11 1.15 -0.73 0.00 0.00 179.01 180.31 2b49 h THR 857 N 0.99 1.12 -0.49 0.32 2.02 -1.05 -1.67 112.91 114.16 2b49 h THR 857 Ca 0.25 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 2b49 h THR 857 Cb 0.08 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2b49 h THR 857 CO -0.04 0.12 0.20 0.00 0.37 0.00 0.00 175.52 176.17 2b49 h ALA 858 N 0.98 1.44 -0.30 6.16 0.00 -0.64 -1.63 119.26 125.28 2b49 h ALA 858 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2b49 h ALA 858 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2b49 h ALA 858 CO -0.01 0.43 -0.28 0.52 0.00 0.00 0.00 179.25 179.91 2b49 h MET 859 N 0.69 0.61 -0.48 0.00 2.07 -0.75 0.10 114.93 117.16 2b49 h MET 859 Ca 0.17 -0.26 -0.09 0.00 -2.07 0.00 0.00 59.70 57.46 2b49 h MET 859 Cb 0.13 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.82 2b49 h MET 859 CO -0.02 0.83 -0.03 0.00 1.07 0.00 0.00 176.91 178.76 2b49 h LEU 861 N 0.73 0.22 -0.52 0.00 3.38 -1.09 -3.01 115.31 115.03 2b49 h LEU 861 Ca 0.13 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.83 2b49 h LEU 861 Cb 0.56 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2b49 h LEU 861 CO 0.03 0.50 0.25 0.74 0.09 0.00 0.00 178.44 180.05 2b49 h THR 862 N -0.06 0.92 -0.59 0.22 2.02 -0.81 0.11 112.91 114.72 2b49 h THR 862 Ca 0.03 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.12 2b49 h THR 862 Cb 0.39 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2b49 h THR 862 CO 0.01 0.09 0.39 -0.08 0.37 0.00 0.00 175.52 176.30 2b49 h GLU 863 N 0.48 0.52 -0.70 6.66 4.81 -1.29 -0.92 114.58 124.14 2b49 h GLU 863 Ca 0.23 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2b49 h GLU 863 Cb 0.17 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2b49 h GLU 863 CO -0.18 0.34 0.00 0.54 -0.73 0.00 0.00 179.01 178.98 2b49 n ARG 864 N -4.48 3.05 -3.49 1.92 5.12 -0.99 -4.96 116.66 112.84 2b49 n ARG 864 Ca 0.09 -2.69 -0.20 0.00 -1.93 0.00 0.00 57.85 53.11 2b49 n ARG 864 Cb 0.26 -1.68 0.08 0.00 -1.16 0.00 0.00 32.46 29.96 2b49 n ARG 864 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2b49 n ASN 865 N 1.45 -4.38 -4.68 0.55 5.15 -0.35 -5.01 115.26 107.98 2b49 n ASN 865 Ca 0.25 -0.56 -0.30 0.00 -0.60 0.00 0.00 54.58 53.37 2b49 n ASN 865 Cb 0.71 -4.97 -0.08 0.00 -0.53 0.00 0.00 39.78 34.91 2b49 n ASN 865 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2b49 s LEU 866 N -6.76 3.43 0.46 1.20 1.43 0.33 -5.02 118.68 113.75 2b49 s LEU 866 Ca 0.32 -0.20 -0.24 0.00 -1.03 0.00 0.00 54.13 52.97 2b49 s LEU 866 Cb -0.14 -2.16 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 2b49 s LEU 866 CO 0.71 0.17 1.28 -2.16 0.23 0.00 0.00 176.35 176.58 2b49 s PRO 867 N -2.35 3.70 -0.20 1.29 0.04 -1.26 -4.35 135.00 131.87 2b49 s PRO 867 Ca 0.26 2.08 0.01 0.00 0.04 0.00 0.00 61.00 63.38 2b49 s PRO 867 Cb -0.11 -2.53 0.03 0.00 0.04 0.00 0.00 34.50 31.92 2b49 s PRO 867 CO 0.18 -0.69 -0.16 0.42 0.04 0.00 0.00 177.00 176.79 2b49 s ILE 868 N -1.35 1.97 -0.40 0.56 1.01 -1.26 -4.99 121.20 116.75 2b49 s ILE 868 Ca 0.62 -1.07 0.04 0.00 0.00 0.00 0.00 60.65 60.24 2b49 s ILE 868 Cb -0.36 -1.89 0.11 0.00 0.01 0.00 0.00 42.46 40.33 2b49 s ILE 868 CO 0.45 0.35 0.13 -0.31 0.00 0.00 0.00 174.94 175.56 2b49 s TYR 869 N 1.28 3.33 0.35 3.97 1.51 -1.26 -5.00 117.35 121.53 2b49 s TYR 869 Ca 0.01 -2.93 0.07 0.00 -1.01 0.00 0.00 57.07 53.20 2b49 s TYR 869 Cb -0.15 -2.75 0.75 0.00 -0.11 0.00 0.00 41.96 39.70 2b49 s TYR 869 CO -0.10 -0.87 1.90 -1.35 -1.11 0.00 0.00 175.55 174.02 2b49 h PRO 870 N 7.26 0.74 -0.41 -1.71 0.11 -1.99 -1.36 132.00 134.64 2b49 h PRO 870 Ca -0.06 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 2b49 h PRO 870 Cb 0.97 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 2b49 h PRO 870 CO 0.57 0.49 0.11 1.25 -0.21 0.00 0.00 178.00 180.21 2b49 h LEU 871 N 0.77 0.55 -0.46 2.35 7.12 -1.97 0.13 115.31 123.80 2b49 h LEU 871 Ca 0.40 -0.08 -0.06 0.00 0.13 0.00 0.00 57.88 58.27 2b49 h LEU 871 Cb 0.50 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.47 2b49 h LEU 871 CO -0.17 0.55 0.04 0.44 -0.13 0.00 0.00 178.44 179.17 2b49 h ASP 872 N 0.59 0.76 -0.50 1.25 3.32 -1.71 -1.39 116.42 118.75 2b49 h ASP 872 Ca 0.14 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2b49 h ASP 872 Cb 0.21 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2b49 h ASP 872 CO -0.01 0.85 0.12 0.40 -1.72 0.00 0.00 179.24 178.89 2b49 h ILE 873 N 0.63 1.24 -0.24 0.35 2.04 -0.69 -1.05 117.51 119.79 2b49 h ILE 873 Ca 0.13 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 2b49 h ILE 873 Cb 0.44 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2b49 h ILE 873 CO 0.02 0.30 0.05 0.58 0.00 0.00 0.00 178.15 179.09 2b49 h VAL 874 N 0.68 1.22 -0.78 1.67 2.07 -0.79 -2.24 116.25 118.09 2b49 h VAL 874 Ca 0.16 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.97 2b49 h VAL 874 Cb 0.33 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 2b49 h VAL 874 CO 0.00 0.23 0.49 -0.09 0.02 0.00 0.00 177.57 178.23 2b49 h ARG 875 N 0.21 0.93 -0.81 1.57 2.43 -1.06 -0.73 114.38 116.92 2b49 h ARG 875 Ca 0.07 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2b49 h ARG 875 Cb 0.31 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 2b49 h ARG 875 CO 0.00 0.62 0.52 -0.22 -1.51 0.00 0.00 179.97 179.38 2b49 h LYS 876 N 0.96 1.00 -0.50 0.20 1.63 -1.02 -1.08 116.57 117.75 2b49 h LYS 876 Ca 0.31 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 60.00 2b49 h LYS 876 Cb 0.01 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.40 2b49 h LYS 876 CO -0.11 0.66 0.11 0.52 -3.45 0.00 0.00 179.45 177.18 2b49 h MET 877 N 1.03 0.81 0.00 1.90 2.86 -0.78 -3.22 114.93 117.52 2b49 h MET 877 Ca 0.32 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 2b49 h MET 877 Cb -0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2b49 h MET 877 CO -0.10 0.79 -0.18 0.00 1.06 0.00 0.00 176.91 178.48 2b49 h ARG 878 N 0.69 0.00 0.00 1.72 3.08 -0.49 0.18 114.38 119.56 2b49 h ARG 878 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2b49 h ARG 878 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2b49 h ARG 878 CO 0.00 0.18 0.00 -0.25 -1.07 0.00 0.00 179.97 178.84 2b49 n ASP 879 N -3.46 0.11 0.00 7.04 8.00 -0.47 -3.81 116.55 123.96 2b49 n ASP 879 Ca -0.01 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.03 2b49 n ASP 879 Cb 0.35 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 2b49 n ASP 879 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b49 n GLN 880 N -1.63 3.57 -3.67 -1.24 6.02 0.01 -4.97 117.38 115.47 2b49 n GLN 880 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.90 2b49 n GLN 880 Cb 0.13 -0.98 -0.11 0.00 1.02 0.00 0.00 30.24 30.29 2b49 n GLN 880 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2b49 s ARG 881 N -1.96 0.25 0.58 -1.09 3.52 0.42 -4.66 118.95 116.01 2b49 s ARG 881 Ca 0.00 0.85 -0.19 0.00 -0.13 0.00 0.00 55.73 56.26 2b49 s ARG 881 Cb 0.00 0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 2b49 s ARG 881 CO 0.00 -0.24 1.17 0.00 -0.81 0.00 0.00 175.30 175.42 2b49 s ALA 882 N 2.25 2.59 0.00 6.12 0.00 -1.25 -3.59 121.76 127.88 2b49 s ALA 882 Ca -0.02 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2b49 s ALA 882 Cb -0.11 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2b49 s ALA 882 CO -0.11 -1.03 0.00 -1.33 0.00 0.00 0.00 175.76 173.29 2b49 n MET 883 N -1.54 -0.16 -1.70 0.00 2.81 0.07 -4.93 117.12 111.67 2b49 n MET 883 Ca 0.13 0.04 -0.43 0.00 -1.81 0.00 0.00 57.70 55.62 2b49 n MET 883 Cb 0.50 -3.06 -0.02 0.00 -0.71 0.00 0.00 33.22 29.94 2b49 n MET 883 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2b49 n MET 884 N -2.23 2.26 -2.56 0.03 0.00 -1.24 -3.42 117.12 109.96 2b49 n MET 884 Ca 0.00 0.80 -0.00 0.00 0.00 0.00 0.00 57.70 58.50 2b49 n MET 884 Cb 0.04 -2.48 -0.00 0.00 0.00 0.00 0.00 33.22 30.78 2b49 n MET 884 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2b49 n VAL 885 N 1.57-10.86 0.12 2.03 0.31 0.98 -4.86 118.33 107.62 2b49 n VAL 885 Ca 0.09 1.65 -0.24 0.00 -0.01 0.00 0.00 64.34 65.83 2b49 n VAL 885 Cb 0.34 -6.57 -0.16 0.00 -0.91 0.00 0.00 33.84 26.54 2b49 n VAL 885 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2b49 h GLN 886 N 2.70 0.48 -6.32 5.55 4.15 -1.72 -3.47 115.11 116.48 2b49 h GLN 886 Ca -0.01 -0.81 -0.60 0.00 0.77 0.00 0.00 58.65 58.00 2b49 h GLN 886 Cb 0.02 0.30 -0.12 0.00 0.21 0.00 0.00 27.48 27.89 2b49 h GLN 886 CO 0.09 1.39 -0.70 0.95 -1.93 0.00 0.00 178.83 178.62 2b49 s THR 887 N -2.56 3.12 0.34 2.39 -4.23 -1.26 -5.02 115.64 108.42 2b49 s THR 887 Ca -0.11 -1.91 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 2b49 s THR 887 Cb 0.04 -2.61 0.16 0.00 1.34 0.00 0.00 72.50 71.42 2b49 s THR 887 CO 0.91 -0.27 1.88 0.28 -0.54 0.00 0.00 174.62 176.88 2b49 h SER 888 N 2.40 0.44 -0.62 3.99 0.02 -1.98 -1.29 113.55 116.51 2b49 h SER 888 Ca -0.44 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 2b49 h SER 888 Cb 1.23 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 2b49 h SER 888 CO 0.57 0.53 0.40 0.28 -1.14 0.00 0.00 176.83 177.48 2b49 h SER 889 N 0.45 0.72 -0.34 3.07 0.02 -1.98 0.70 113.55 116.19 2b49 h SER 889 Ca 0.09 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2b49 h SER 889 Cb 0.35 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2b49 h SER 889 CO 0.01 0.53 0.15 1.56 -1.14 0.00 0.00 176.83 177.94 2b49 h GLN 890 N 0.84 0.50 -0.37 3.45 4.20 -1.83 -0.20 115.11 121.70 2b49 h GLN 890 Ca 0.23 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 2b49 h GLN 890 Cb -0.08 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 2b49 h GLN 890 CO -0.05 0.48 0.13 -0.92 -0.67 0.00 0.00 178.83 177.80 2b49 h TYR 891 N 0.41 0.58 -0.81 2.96 3.20 -0.64 -1.20 116.97 121.47 2b49 h TYR 891 Ca 0.11 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.95 2b49 h TYR 891 Cb 0.16 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 2b49 h TYR 891 CO -0.01 0.55 0.53 -0.22 -1.64 0.00 0.00 178.16 177.37 2b49 h LYS 892 N 0.45 1.04 -0.43 1.82 3.64 0.45 -1.27 116.57 122.27 2b49 h LYS 892 Ca 0.12 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2b49 h LYS 892 Cb 0.23 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2b49 h LYS 892 CO -0.01 0.69 0.26 0.35 -2.27 0.00 0.00 179.45 178.47 2b49 h PHE 893 N 1.07 0.48 -0.16 1.91 3.57 -0.69 -2.31 116.94 120.82 2b49 h PHE 893 Ca 0.31 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.85 2b49 h PHE 893 Cb -0.08 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 2b49 h PHE 893 CO -0.02 0.28 -0.01 0.28 -2.23 0.00 0.00 178.31 176.61 2b49 h VAL 894 N 0.52 0.87 0.27 1.41 2.07 -0.80 -1.63 116.25 118.96 2b49 h VAL 894 Ca 0.17 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 2b49 h VAL 894 Cb -0.00 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2b49 h VAL 894 CO -0.07 0.01 -0.19 0.00 0.02 0.00 0.00 177.57 177.34 2b49 h GLU 896 N -0.46 0.93 -0.87 0.00 5.08 -1.40 -1.42 114.58 116.44 2b49 h GLU 896 Ca -0.02 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2b49 h GLU 896 Cb 0.40 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 2b49 h GLU 896 CO 0.00 0.61 0.56 0.00 -1.00 0.00 0.00 179.01 179.19 2b49 h ALA 897 N 1.28 1.16 -0.56 3.43 0.00 -1.03 -0.56 119.26 122.97 2b49 h ALA 897 Ca 0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2b49 h ALA 897 Cb -0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 2b49 h ALA 897 CO -0.08 0.40 0.24 0.82 0.00 0.00 0.00 179.25 180.63 2b49 h ILE 898 N 1.08 1.22 -0.19 0.00 2.04 -0.19 -1.50 117.51 119.96 2b49 h ILE 898 Ca 0.35 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 2b49 h ILE 898 Cb 0.02 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2b49 h ILE 898 CO -0.12 0.26 -0.23 -0.07 0.00 0.00 0.00 178.15 177.99 2b49 h LEU 899 N 0.77 0.34 0.16 1.44 3.38 -0.93 -2.53 115.31 117.94 2b49 h LEU 899 Ca 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2b49 h LEU 899 Cb 0.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2b49 h LEU 899 CO -0.02 0.58 -0.08 0.03 0.09 0.00 0.00 178.44 179.05 2b49 h ARG 900 N 0.32 -0.21 -0.84 1.13 3.08 -0.53 -0.54 114.38 116.78 2b49 h ARG 900 Ca 0.05 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 2b49 h ARG 900 Cb 0.58 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.63 2b49 h ARG 900 CO 0.04 -0.05 0.49 -0.39 -1.07 0.00 0.00 179.97 178.99 2b49 h VAL 901 N -0.32 1.24 0.70 2.04 -1.51 -1.20 0.53 116.25 117.74 2b49 h VAL 901 Ca -0.02 -0.55 -0.03 0.00 -1.23 0.00 0.00 66.70 64.87 2b49 h VAL 901 Cb 0.25 0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 29.47 2b49 h VAL 901 CO 0.04 0.26 -0.42 0.22 -1.23 0.00 0.00 177.57 176.43 2b49 h TYR 902 N 1.17 -1.11 0.00 5.19 5.03 -1.43 -3.14 116.97 122.68 2b49 h TYR 902 Ca 0.30 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.55 2b49 h TYR 902 Cb -0.02 0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 2b49 h TYR 902 CO 0.01 -0.64 -0.23 0.93 -1.32 0.00 0.00 178.16 176.91 2b49 h GLU 903 N -1.05 0.00 -0.02 1.82 5.08 -0.61 -3.52 114.58 116.28 2b49 h GLU 903 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2b49 h GLU 903 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2b49 h GLU 903 CO 0.10 0.23 0.00 0.39 -1.00 0.00 0.00 179.01 178.73