#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o4x s ALA 655 N 0.00 -1.23 -0.29 -1.46 0.00 -1.26 -5.01 121.76 112.51 2o4x s ALA 655 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 2o4x s ALA 655 Cb 0.00 -2.24 0.09 0.00 0.00 0.00 0.00 23.12 20.97 2o4x s ALA 655 CO 0.00 -2.01 0.07 -1.12 0.00 0.00 0.00 175.76 172.71 2o4x s SER 656 N 1.99 3.97 -0.17 0.00 0.01 -1.26 -5.11 113.70 113.11 2o4x s SER 656 Ca 0.14 -1.56 -0.20 0.00 1.31 0.00 0.00 55.95 55.64 2o4x s SER 656 Cb -0.11 -0.94 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 2o4x s SER 656 CO -0.15 -0.38 0.57 -0.31 0.41 0.00 0.00 173.24 173.38 2o4x s TYR 657 N 1.55 3.41 -0.15 2.43 1.51 -1.26 -4.42 117.35 120.43 2o4x s TYR 657 Ca 0.07 0.89 -0.02 0.00 -1.01 0.00 0.00 57.07 57.01 2o4x s TYR 657 Cb -0.18 -2.71 -0.02 0.00 -0.11 0.00 0.00 41.96 38.94 2o4x s TYR 657 CO -0.20 -0.07 -0.08 -1.59 -1.11 0.00 0.00 175.55 172.50 2o4x s LYS 658 N 1.51 3.53 0.11 -0.62 0.00 0.14 -4.85 119.74 119.56 2o4x s LYS 658 Ca 0.27 -0.60 -0.31 0.00 0.00 0.00 0.00 55.97 55.33 2o4x s LYS 658 Cb -0.16 -2.78 -0.09 0.00 0.00 0.00 0.00 37.83 34.80 2o4x s LYS 658 CO 0.11 0.21 1.56 -1.25 0.00 0.00 0.00 175.35 175.98 2o4x s PRO 659 N 0.39 4.23 0.14 1.78 0.04 -1.26 -0.63 135.00 139.69 2o4x s PRO 659 Ca -0.07 2.28 0.05 0.00 0.04 0.00 0.00 61.00 63.30 2o4x s PRO 659 Cb -0.15 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 2o4x s PRO 659 CO 0.04 -0.62 -0.11 0.14 0.04 0.00 0.00 177.00 176.49 2o4x s VAL 660 N 1.73 1.19 -0.26 -0.36 -7.23 0.07 -2.90 120.40 112.65 2o4x s VAL 660 Ca 0.70 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.81 2o4x s VAL 660 Cb -0.40 -1.79 -0.00 0.00 0.56 0.00 0.00 36.38 34.74 2o4x s VAL 660 CO 0.31 -0.70 0.03 0.12 -0.31 0.00 0.00 175.10 174.55 2o4x s PHE 661 N -3.14 3.08 -0.18 2.82 5.36 0.58 -1.14 117.98 125.35 2o4x s PHE 661 Ca 0.15 -0.92 -0.27 0.00 -0.96 0.00 0.00 56.93 54.93 2o4x s PHE 661 Cb 0.01 -2.19 -0.01 0.00 -0.34 0.00 0.00 43.02 40.50 2o4x s PHE 661 CO 0.01 -0.54 0.90 0.08 -1.46 0.00 0.00 175.22 174.20 2o4x s VAL 662 N 1.50 4.82 -0.03 3.12 1.01 -0.22 -0.14 120.40 130.46 2o4x s VAL 662 Ca 0.04 1.76 0.14 0.00 0.00 0.00 0.00 61.98 63.92 2o4x s VAL 662 Cb -0.16 -4.19 -0.22 0.00 0.00 0.00 0.00 36.38 31.81 2o4x s VAL 662 CO 0.00 -0.03 0.30 0.35 0.00 0.00 0.00 175.10 175.72 2o4x n THR 663 N 4.90 0.05 -3.63 3.92 -2.24 -0.24 0.22 114.28 117.27 2o4x n THR 663 Ca 0.07 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.46 2o4x n THR 663 Cb 0.48 0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.77 2o4x n THR 663 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2o4x s GLU 664 N -2.95 0.60 -0.20 -0.78 2.56 -1.22 -4.58 118.70 112.13 2o4x s GLU 664 Ca -0.05 1.09 -0.06 0.00 0.00 0.00 0.00 54.97 55.95 2o4x s GLU 664 Cb 0.09 0.20 -0.03 0.00 2.00 0.00 0.00 34.13 36.38 2o4x s GLU 664 CO 0.59 -0.13 0.02 0.42 -0.56 0.00 0.00 175.26 175.60 2o4x s ILE 665 N 1.70 4.21 0.52 -3.70 -1.09 -1.26 -0.82 121.20 120.76 2o4x s ILE 665 Ca -0.09 -0.23 -0.04 0.00 -2.23 0.00 0.00 60.65 58.06 2o4x s ILE 665 Cb -0.05 -2.91 -0.01 0.00 -1.58 0.00 0.00 42.46 37.91 2o4x s ILE 665 CO -0.19 0.42 0.81 0.42 -1.23 0.00 0.00 174.94 175.18 2o4x s THR 666 N 0.90 4.17 -0.50 2.92 -4.23 0.24 -4.95 115.64 114.19 2o4x s THR 666 Ca 0.02 -0.03 0.20 0.00 -1.18 0.00 0.00 61.69 60.70 2o4x s THR 666 Cb -0.14 -3.61 0.20 0.00 1.34 0.00 0.00 72.50 70.30 2o4x s THR 666 CO 0.02 -0.58 1.61 0.47 -0.54 0.00 0.00 174.62 175.61 2o4x n ASP 667 N -2.37 0.51 -1.39 3.99 8.00 -1.26 -1.08 116.55 122.94 2o4x n ASP 667 Ca 0.02 0.66 0.07 0.00 0.71 0.00 0.00 54.79 56.26 2o4x n ASP 667 Cb 0.57 -0.76 0.30 0.00 -0.02 0.00 0.00 41.12 41.21 2o4x n ASP 667 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2o4x n ASP 668 N -2.10 4.10 -2.89 -2.24 8.00 -1.26 -4.82 116.55 115.33 2o4x n ASP 668 Ca 0.01 -2.42 -0.22 0.00 0.71 0.00 0.00 54.79 52.87 2o4x n ASP 668 Cb 0.15 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 40.73 2o4x n ASP 668 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2o4x n LEU 669 N 0.83 -2.55 -5.01 0.64 7.94 -0.24 -4.98 117.00 113.62 2o4x n LEU 669 Ca 0.21 -0.23 -0.20 0.00 -1.11 0.00 0.00 56.01 54.68 2o4x n LEU 669 Cb 0.79 -2.99 0.05 0.00 0.53 0.00 0.00 43.42 41.80 2o4x n LEU 669 CO 0.21 0.14 0.34 -1.00 -1.11 0.00 0.00 177.39 175.97 2o4x s HIS 670 N -3.16 2.02 0.08 1.96 3.76 -1.26 -4.49 115.29 114.21 2o4x s HIS 670 Ca 0.24 -0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 54.54 2o4x s HIS 670 Cb -0.11 -2.50 0.04 0.00 1.11 0.00 0.00 32.58 31.12 2o4x s HIS 670 CO 0.30 -1.04 0.41 -0.59 -0.85 0.00 0.00 174.74 172.97 2o4x s PHE 671 N -2.70 -0.24 -0.02 1.40 -0.12 -0.23 -0.59 117.98 115.47 2o4x s PHE 671 Ca 0.60 0.06 0.03 0.00 -0.05 0.00 0.00 56.93 57.57 2o4x s PHE 671 Cb -0.07 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.52 2o4x s PHE 671 CO 0.38 -0.64 -0.08 0.71 -0.05 0.00 0.00 175.22 175.54 2o4x s TYR 672 N -3.15 2.86 0.10 3.49 2.02 0.00 -0.41 117.35 122.26 2o4x s TYR 672 Ca -0.01 -0.05 0.04 0.00 -0.37 0.00 0.00 57.07 56.68 2o4x s TYR 672 Cb 0.01 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 2o4x s TYR 672 CO -0.07 0.33 -0.10 0.14 -1.57 0.00 0.00 175.55 174.28 2o4x s VAL 673 N -0.90 0.95 0.06 0.71 -7.23 -0.41 -1.08 120.40 112.50 2o4x s VAL 673 Ca 0.15 -1.71 0.07 0.00 -1.81 0.00 0.00 61.98 58.67 2o4x s VAL 673 Cb -0.11 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 2o4x s VAL 673 CO 0.05 -0.60 -0.14 -1.10 -0.31 0.00 0.00 175.10 172.99 2o4x s GLN 674 N -2.97 2.15 -0.26 4.82 -0.21 0.80 -1.19 119.66 122.80 2o4x s GLN 674 Ca 0.07 -0.96 -0.29 0.00 0.02 0.00 0.00 55.36 54.20 2o4x s GLN 674 Cb -0.02 -2.27 -0.00 0.00 1.00 0.00 0.00 33.01 31.72 2o4x s GLN 674 CO -0.00 0.54 1.27 0.34 -2.12 0.00 0.00 175.29 175.31 2o4x s ASP 675 N -1.67 6.78 0.41 5.90 -1.08 -1.26 -0.31 116.67 125.44 2o4x s ASP 675 Ca 0.17 1.35 0.16 0.00 -0.52 0.00 0.00 52.55 53.71 2o4x s ASP 675 Cb -0.11 -2.54 1.05 0.00 -1.46 0.00 0.00 42.92 39.86 2o4x s ASP 675 CO 0.08 -0.96 1.86 0.58 0.52 0.00 0.00 175.17 177.25 2o4x h VAL 676 N 5.79 0.71 -0.81 1.11 2.07 -1.86 -2.02 116.25 121.24 2o4x h VAL 676 Ca -0.26 -0.15 0.17 0.00 0.82 0.00 0.00 66.70 67.28 2o4x h VAL 676 Cb 1.10 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.99 2o4x h VAL 676 CO 1.01 0.08 0.34 -0.33 0.02 0.00 0.00 177.57 178.69 2o4x h GLU 677 N 0.44 0.43 -0.61 1.57 5.08 -1.91 -1.96 114.58 117.62 2o4x h GLU 677 Ca 0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2o4x h GLU 677 Cb 1.08 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2o4x h GLU 677 CO -0.18 0.28 0.00 0.25 -1.00 0.00 0.00 179.01 178.36 2o4x n THR 678 N -5.01 1.03 -0.33 1.13 -2.24 -0.76 -4.51 114.28 103.59 2o4x n THR 678 Ca 0.17 -0.85 -0.03 0.00 -2.27 0.00 0.00 64.05 61.07 2o4x n THR 678 Cb 0.50 0.28 0.09 0.00 -2.10 0.00 0.00 70.33 69.09 2o4x n THR 678 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2o4x h GLY 679 N 4.62 1.25 1.45 3.38 0.00 -1.37 -1.88 103.07 110.53 2o4x h GLY 679 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 47.33 46.70 2o4x h GLY 679 CO 0.07 0.46 -0.57 -0.91 0.00 0.00 0.00 176.54 175.58 2o4x h THR 680 N 1.21 1.32 -0.65 4.70 1.35 -1.80 -0.45 112.91 118.58 2o4x h THR 680 Ca 0.33 -1.83 -0.03 0.00 -0.55 0.00 0.00 66.41 64.33 2o4x h THR 680 Cb -0.14 1.80 -0.03 0.00 -1.73 0.00 0.00 68.15 68.05 2o4x h THR 680 CO -0.07 0.57 0.30 1.56 -0.25 0.00 0.00 175.52 177.63 2o4x h GLN 681 N 0.43 0.95 -0.01 4.72 4.20 -1.80 -0.54 115.11 123.06 2o4x h GLN 681 Ca 0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2o4x h GLN 681 Cb 1.12 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 2o4x h GLN 681 CO 0.11 0.77 -0.01 0.35 -0.67 0.00 0.00 178.83 179.37 2o4x h PHE 682 N 0.91 -0.03 -0.61 2.96 3.57 -1.11 -1.23 116.94 121.39 2o4x h PHE 682 Ca 0.22 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.84 2o4x h PHE 682 Cb 0.14 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 2o4x h PHE 682 CO 0.01 -0.02 0.13 1.49 -2.23 0.00 0.00 178.31 177.68 2o4x h GLU 683 N -0.02 0.25 -0.24 1.11 4.81 -0.74 -1.13 114.58 118.62 2o4x h GLU 683 Ca 0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2o4x h GLU 683 Cb 0.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2o4x h GLU 683 CO -0.02 0.17 0.11 0.87 -0.73 0.00 0.00 179.01 179.40 2o4x h LYS 684 N 0.26 0.36 -0.46 1.92 1.57 -0.82 -2.66 116.57 116.73 2o4x h LYS 684 Ca 0.32 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 2o4x h LYS 684 Cb 0.49 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2o4x h LYS 684 CO -0.41 0.38 0.26 1.25 -0.57 0.00 0.00 179.45 180.35 2o4x h LEU 685 N 0.25 0.40 -0.83 2.94 5.85 -0.71 -1.28 115.31 121.93 2o4x h LEU 685 Ca 0.08 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2o4x h LEU 685 Cb 0.14 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2o4x h LEU 685 CO -0.01 0.28 0.49 0.24 -0.34 0.00 0.00 178.44 179.11 2o4x h MET 686 N 0.52 1.13 -0.20 1.25 2.86 -1.12 0.25 114.93 119.61 2o4x h MET 686 Ca 0.19 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 2o4x h MET 686 Cb 0.05 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 2o4x h MET 686 CO -0.11 0.80 -0.12 1.49 1.06 0.00 0.00 176.91 180.02 2o4x h GLU 687 N 1.14 0.43 -0.27 1.72 4.81 -1.22 -0.03 114.58 121.15 2o4x h GLU 687 Ca 0.30 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2o4x h GLU 687 Cb -0.04 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 2o4x h GLU 687 CO -0.05 0.74 0.02 -0.91 -0.73 0.00 0.00 179.01 178.07 2o4x h ASN 688 N 0.12 -0.07 -0.51 1.04 2.35 -0.97 -1.68 115.58 115.85 2o4x h ASN 688 Ca 0.04 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 2o4x h ASN 688 Cb 0.63 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 2o4x h ASN 688 CO 0.03 -0.00 0.12 -0.03 -1.65 0.00 0.00 177.43 175.90 2o4x h MET 689 N 0.10 0.83 -0.34 0.81 4.05 -0.41 -2.22 114.93 117.75 2o4x h MET 689 Ca 0.13 -0.20 -0.12 0.00 -0.28 0.00 0.00 59.70 59.23 2o4x h MET 689 Cb 0.16 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 2o4x h MET 689 CO -0.21 0.79 -0.26 0.00 0.23 0.00 0.00 176.91 177.46 2o4x h ARG 690 N 0.72 0.69 0.03 0.39 3.08 -0.84 -1.32 114.38 117.12 2o4x h ARG 690 Ca 0.16 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.94 2o4x h ARG 690 Cb 0.34 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2o4x h ARG 690 CO 0.00 0.88 -0.10 -0.91 -1.07 0.00 0.00 179.97 178.77 2o4x h ASN 691 N 0.59 -0.29 -0.03 7.04 2.35 -1.20 -1.94 115.58 122.10 2o4x h ASN 691 Ca 0.08 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 2o4x h ASN 691 Cb 0.76 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 39.19 2o4x h ASN 691 CO 0.06 -0.15 -0.35 -0.78 -1.65 0.00 0.00 177.43 174.56 2o4x h ASP 692 N -0.19 -1.05 -0.80 5.81 3.58 -1.09 -2.05 116.42 120.63 2o4x h ASP 692 Ca 0.03 0.14 0.14 0.00 0.42 0.00 0.00 57.03 57.76 2o4x h ASP 692 Cb 0.23 0.42 -0.06 0.00 1.72 0.00 0.00 39.33 41.64 2o4x h ASP 692 CO -0.08 -0.40 0.52 0.40 -2.88 0.00 0.00 179.24 176.80 2o4x h ILE 693 N -0.48 0.82 -0.04 2.25 2.04 -1.18 0.40 117.51 121.33 2o4x h ILE 693 Ca 0.07 -0.18 -0.14 0.00 1.00 0.00 0.00 64.86 65.61 2o4x h ILE 693 Cb 0.58 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2o4x h ILE 693 CO -0.30 0.10 -0.61 0.00 0.00 0.00 0.00 178.15 177.33 2o4x h ALA 694 N 1.63 0.91 0.09 1.87 0.00 -0.80 -2.34 119.26 120.62 2o4x h ALA 694 Ca 0.39 -0.55 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 2o4x h ALA 694 Cb 0.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2o4x h ALA 694 CO -0.15 0.75 -1.41 0.77 0.00 0.00 0.00 179.25 179.21 2o4x h SER 695 N 0.10 0.29 -2.14 0.00 0.02 -0.33 -3.40 113.55 108.08 2o4x h SER 695 Ca -0.01 -0.38 -0.59 0.00 -0.84 0.00 0.00 61.79 59.97 2o4x h SER 695 Cb 1.10 -0.10 -0.41 0.00 0.14 0.00 0.00 62.40 63.14 2o4x h SER 695 CO 0.09 1.32 -0.78 1.41 -1.14 0.00 0.00 176.83 177.73 2o4x n HIS 696 N -3.41 2.20 -1.88 3.45 8.25 0.12 -5.10 115.22 118.84 2o4x n HIS 696 Ca -0.12 -3.94 -0.41 0.00 -0.26 0.00 0.00 57.72 52.98 2o4x n HIS 696 Cb 1.02 -0.48 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 2o4x n HIS 696 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2o4x s PRO 697 N -1.98 4.19 0.19 -0.41 0.04 -0.88 -4.62 135.00 131.51 2o4x s PRO 697 Ca 0.38 2.45 -0.33 0.00 0.04 0.00 0.00 61.00 63.54 2o4x s PRO 697 Cb 0.15 -3.07 -0.15 0.00 0.04 0.00 0.00 34.50 31.48 2o4x s PRO 697 CO -0.05 -0.55 1.32 -0.35 0.04 0.00 0.00 177.00 177.41 2o4x n PRO 698 N 2.42 1.60 -4.02 0.56 -0.04 -1.26 -4.97 135.00 129.29 2o4x n PRO 698 Ca 0.08 0.57 -0.36 0.00 -0.04 0.00 0.00 63.50 63.75 2o4x n PRO 698 Cb 0.39 -2.18 -0.07 0.00 -0.04 0.00 0.00 33.50 31.59 2o4x n PRO 698 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2o4x s VAL 699 N 0.07 5.10 -0.02 0.52 0.11 -1.26 -5.03 120.40 119.89 2o4x s VAL 699 Ca 0.73 0.06 -0.27 0.00 -2.93 0.00 0.00 61.98 59.57 2o4x s VAL 699 Cb -0.77 -3.22 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 2o4x s VAL 699 CO 0.49 0.59 0.85 -1.83 -3.33 0.00 0.00 175.10 171.87 2o4x s GLU 700 N -0.79 4.51 -0.68 1.54 -1.05 -1.26 0.09 118.70 121.06 2o4x s GLU 700 Ca 0.13 1.18 0.05 0.00 -0.15 0.00 0.00 54.97 56.18 2o4x s GLU 700 Cb -0.12 -3.44 0.17 0.00 -0.44 0.00 0.00 34.13 30.30 2o4x s GLU 700 CO 0.03 0.03 0.49 0.41 0.95 0.00 0.00 175.26 177.17 2o4x n GLY 701 N 2.91 3.89 0.00 -3.83 0.00 -1.26 -5.05 105.19 101.84 2o4x n GLY 701 Ca 0.02 -2.49 0.06 0.00 0.00 0.00 0.00 46.02 43.62 2o4x n GLY 701 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2o4x n SER 702 N 2.00 0.00 -4.21 1.61 7.64 0.11 -4.60 113.62 116.18 2o4x n SER 702 Ca 0.21 0.39 -0.32 0.00 1.01 0.00 0.00 58.87 60.16 2o4x n SER 702 Cb 0.36 -0.44 -0.17 0.00 -1.01 0.00 0.00 64.21 62.95 2o4x n SER 702 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2o4x s TYR 703 N -2.88 2.64 -0.31 1.43 5.04 -1.26 -4.88 117.35 117.12 2o4x s TYR 703 Ca 0.08 -1.14 -0.00 0.00 -2.44 0.00 0.00 57.07 53.57 2o4x s TYR 703 Cb 0.09 -1.77 0.06 0.00 0.35 0.00 0.00 41.96 40.69 2o4x s TYR 703 CO 0.23 -0.49 0.00 0.00 -1.34 0.00 0.00 175.55 173.96 2o4x s ALA 704 N 0.56 2.80 0.11 3.97 0.00 -1.26 -5.05 121.76 122.90 2o4x s ALA 704 Ca -0.13 -1.90 -0.31 0.00 0.00 0.00 0.00 51.96 49.63 2o4x s ALA 704 Cb -0.17 -1.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.95 2o4x s ALA 704 CO 0.04 -1.34 1.56 -2.14 0.00 0.00 0.00 175.76 173.88 2o4x s PRO 705 N 1.18 4.23 0.00 0.00 0.02 -1.26 -5.03 135.00 134.15 2o4x s PRO 705 Ca -0.03 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.29 2o4x s PRO 705 Cb -0.20 -3.35 -0.01 0.00 0.02 0.00 0.00 34.50 30.96 2o4x s PRO 705 CO -0.03 -0.62 -0.09 1.03 -0.33 0.00 0.00 177.00 176.96 2o4x s ARG 706 N 1.74 0.73 0.14 5.54 0.52 -1.26 -5.01 118.95 121.35 2o4x s ARG 706 Ca 0.70 -0.39 -0.34 0.00 -0.52 0.00 0.00 55.73 55.17 2o4x s ARG 706 Cb -0.40 -0.69 -0.16 0.00 0.52 0.00 0.00 34.95 34.21 2o4x s ARG 706 CO 0.31 0.19 1.19 -2.13 0.02 0.00 0.00 175.30 174.87 2o4x n ARG 707 N 2.66 1.06 0.00 3.54 0.63 -1.26 -1.75 116.66 121.54 2o4x n ARG 707 Ca -0.15 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 2o4x n ARG 707 Cb 0.57 -1.90 0.00 0.00 0.45 0.00 0.00 32.46 31.57 2o4x n ARG 707 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2o4x n GLY 708 N 2.12 1.69 3.78 5.14 0.00 0.10 -4.99 105.19 113.03 2o4x n GLY 708 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2o4x n GLY 708 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2o4x s GLU 709 N -0.72 4.35 0.78 1.61 2.12 -0.72 -4.74 118.70 121.38 2o4x s GLU 709 Ca 0.00 0.87 -0.11 0.00 0.36 0.00 0.00 54.97 56.09 2o4x s GLU 709 Cb 0.00 -3.29 0.06 0.00 0.26 0.00 0.00 34.13 31.17 2o4x s GLU 709 CO 0.00 0.51 1.09 -0.06 -0.54 0.00 0.00 175.26 176.27 2o4x s PHE 710 N -0.75 2.88 0.06 5.30 0.40 -1.26 -0.08 117.98 124.53 2o4x s PHE 710 Ca 0.32 1.16 -0.27 0.00 -0.60 0.00 0.00 56.93 57.54 2o4x s PHE 710 Cb -0.20 -3.10 0.09 0.00 0.51 0.00 0.00 43.02 40.32 2o4x s PHE 710 CO 0.21 -1.69 1.15 0.00 0.70 0.00 0.00 175.22 175.58 2o4x s ILE 712 N -2.67 4.94 -0.01 0.00 -4.36 -0.57 -0.76 121.20 117.78 2o4x s ILE 712 Ca 0.15 -0.52 0.02 0.00 -0.26 0.00 0.00 60.65 60.05 2o4x s ILE 712 Cb 0.02 -3.36 -0.00 0.00 1.25 0.00 0.00 42.46 40.36 2o4x s ILE 712 CO -0.01 0.19 -0.06 0.00 0.24 0.00 0.00 174.94 175.30 2o4x s ALA 713 N -1.38 0.53 -0.39 2.27 0.00 -0.29 -1.19 121.76 121.31 2o4x s ALA 713 Ca 0.30 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 2o4x s ALA 713 Cb -0.12 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2o4x s ALA 713 CO 0.22 0.13 0.37 0.21 0.00 0.00 0.00 175.76 176.69 2o4x s LYS 714 N -0.14 3.25 0.87 0.00 2.20 0.02 -1.19 119.74 124.75 2o4x s LYS 714 Ca 0.02 -0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 54.83 2o4x s LYS 714 Cb -0.03 -3.91 0.16 0.00 -1.51 0.00 0.00 37.83 32.54 2o4x s LYS 714 CO -0.00 -0.70 1.21 0.12 -0.36 0.00 0.00 175.35 175.62 2o4x s PHE 715 N 1.98 1.91 -1.42 4.03 5.36 0.31 -4.89 117.98 125.26 2o4x s PHE 715 Ca 0.10 0.28 0.16 0.00 -0.96 0.00 0.00 56.93 56.50 2o4x s PHE 715 Cb -0.17 -3.73 0.78 0.00 -0.34 0.00 0.00 43.02 39.56 2o4x s PHE 715 CO 0.12 -2.23 1.44 1.33 -1.46 0.00 0.00 175.22 174.43 2o4x n VAL 716 N -3.44 0.56 1.31 3.12 0.24 -1.26 -0.70 118.33 118.17 2o4x n VAL 716 Ca 0.13 0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.71 2o4x n VAL 716 Cb 0.60 -0.88 0.41 0.00 -1.47 0.00 0.00 33.84 32.50 2o4x n VAL 716 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2o4x n ASP 717 N -1.29 1.89 0.00 -1.34 5.75 -1.26 -4.92 116.55 115.38 2o4x n ASP 717 Ca 0.07 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 2o4x n ASP 717 Cb 0.13 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 2o4x n ASP 717 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2o4x n GLY 718 N 1.22 0.68 3.78 6.12 0.00 0.13 -5.03 105.19 112.08 2o4x n GLY 718 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2o4x n GLY 718 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2o4x s GLU 719 N -0.07 2.81 -0.01 1.61 8.01 -1.25 -4.84 118.70 124.96 2o4x s GLU 719 Ca 0.00 -1.04 -0.05 0.00 0.01 0.00 0.00 54.97 53.89 2o4x s GLU 719 Cb 0.00 -2.53 -0.04 0.00 -4.31 0.00 0.00 34.13 27.25 2o4x s GLU 719 CO 0.00 0.43 0.23 -1.58 0.01 0.00 0.00 175.26 174.34 2o4x s TRP 720 N -2.00 3.57 0.07 1.61 0.52 -1.26 -0.53 118.94 120.91 2o4x s TRP 720 Ca 0.32 0.49 -0.02 0.00 0.02 0.00 0.00 56.10 56.91 2o4x s TRP 720 Cb -0.08 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 2o4x s TRP 720 CO 0.23 0.64 0.00 0.71 0.02 0.00 0.00 176.95 178.55 2o4x s TYR 721 N -1.28 0.56 0.28 -1.98 2.02 -0.33 -4.92 117.35 111.70 2o4x s TYR 721 Ca 0.26 -1.07 -0.29 0.00 -0.37 0.00 0.00 57.07 55.60 2o4x s TYR 721 Cb -0.13 -0.38 -0.09 0.00 -0.40 0.00 0.00 41.96 40.95 2o4x s TYR 721 CO 0.16 -0.42 1.07 1.03 -1.57 0.00 0.00 175.55 175.82 2o4x s ARG 722 N -3.94 4.64 0.26 -0.62 0.52 -1.26 -1.14 118.95 117.41 2o4x s ARG 722 Ca 0.10 1.73 -0.08 0.00 -0.52 0.00 0.00 55.73 56.96 2o4x s ARG 722 Cb 0.08 -3.15 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 2o4x s ARG 722 CO -0.08 0.23 0.41 0.00 0.02 0.00 0.00 175.30 175.89 2o4x s ALA 723 N -1.21 0.27 -0.01 2.13 0.00 0.06 -2.54 121.76 120.47 2o4x s ALA 723 Ca 0.45 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 51.23 2o4x s ALA 723 Cb -0.30 1.15 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2o4x s ALA 723 CO 0.39 -0.79 -0.02 0.50 0.00 0.00 0.00 175.76 175.84 2o4x s ARG 724 N -3.79 0.29 0.06 0.00 3.52 0.26 -1.11 118.95 118.18 2o4x s ARG 724 Ca 0.28 -0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.53 2o4x s ARG 724 Cb 0.01 -0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 33.00 2o4x s ARG 724 CO 0.12 -0.01 1.10 0.08 -0.81 0.00 0.00 175.30 175.78 2o4x s VAL 725 N 0.35 4.33 0.00 7.11 1.01 0.88 -0.91 120.40 133.16 2o4x s VAL 725 Ca -0.03 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2o4x s VAL 725 Cb -0.06 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2o4x s VAL 725 CO -0.01 0.16 0.00 -0.62 0.00 0.00 0.00 175.10 174.64 2o4x n GLU 726 N 3.64 0.00 -2.00 2.72 1.02 0.86 0.00 120.64 126.88 2o4x n GLU 726 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 2o4x n GLU 726 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.87 2o4x n GLU 726 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2o4x s LYS 727 N 2.78 4.25 -0.40 3.49 2.20 -1.25 -4.02 119.74 126.79 2o4x s LYS 727 Ca 0.00 2.30 -0.13 0.00 -0.36 0.00 0.00 55.97 57.78 2o4x s LYS 727 Cb 0.00 -3.14 0.04 0.00 -1.51 0.00 0.00 37.83 33.21 2o4x s LYS 727 CO 0.00 -0.49 0.26 0.08 -0.36 0.00 0.00 175.35 174.84 2o4x s VAL 728 N 0.56 4.83 -0.12 4.02 1.01 -1.26 0.43 120.40 129.87 2o4x s VAL 728 Ca 0.64 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 2o4x s VAL 728 Cb -0.42 -3.74 -0.27 0.00 0.00 0.00 0.00 36.38 31.95 2o4x s VAL 728 CO 0.37 -0.33 0.72 -0.33 0.00 0.00 0.00 175.10 175.53 2o4x h GLU 729 N 8.53 0.12 -2.45 2.72 5.08 -1.28 -3.50 114.58 123.80 2o4x h GLU 729 Ca -0.26 -0.20 0.16 0.00 -1.00 0.00 0.00 59.36 58.06 2o4x h GLU 729 Cb 1.11 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 2o4x h GLU 729 CO 0.72 1.10 0.47 -1.54 -1.00 0.00 0.00 179.01 178.76 2o4x s SER 730 N -6.61 -0.14 0.62 1.42 1.04 -1.09 -4.96 113.70 103.98 2o4x s SER 730 Ca -0.19 -0.50 0.42 0.00 0.48 0.00 0.00 55.95 56.16 2o4x s SER 730 Cb -0.00 0.53 2.27 0.00 0.10 0.00 0.00 66.02 68.92 2o4x s SER 730 CO 0.73 -0.99 2.28 -0.65 0.98 0.00 0.00 173.24 175.59 2o4x h PRO 731 N 2.00 0.00 0.00 4.02 0.11 -1.96 -1.69 132.00 134.48 2o4x h PRO 731 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2o4x h PRO 731 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2o4x h PRO 731 CO 0.28 0.00 -0.60 0.00 -0.21 0.00 0.00 178.00 177.47 2o4x n ALA 732 N -2.04 3.12 -3.40 -0.75 0.00 -1.26 -0.36 120.51 115.82 2o4x n ALA 732 Ca -0.03 -0.28 -0.27 0.00 0.00 0.00 0.00 53.44 52.86 2o4x n ALA 732 Cb 0.07 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 2o4x n ALA 732 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2o4x s LYS 733 N -3.11 0.73 -0.20 0.00 1.02 -0.63 -3.17 119.74 114.38 2o4x s LYS 733 Ca 0.08 -1.65 -0.03 0.00 0.02 0.00 0.00 55.97 54.38 2o4x s LYS 733 Cb 0.15 -1.27 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 2o4x s LYS 733 CO 0.71 -1.30 -0.05 0.42 -0.92 0.00 0.00 175.35 174.22 2o4x s ILE 734 N 0.62 3.46 -0.15 2.17 1.01 0.37 -0.67 121.20 128.01 2o4x s ILE 734 Ca 0.25 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 60.16 2o4x s ILE 734 Cb -0.09 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 2o4x s ILE 734 CO -0.09 0.45 0.88 -1.00 0.00 0.00 0.00 174.94 175.17 2o4x s HIS 735 N 1.13 3.45 0.23 3.97 3.76 0.17 -1.32 115.29 126.69 2o4x s HIS 735 Ca 0.02 1.36 0.09 0.00 -0.15 0.00 0.00 55.06 56.37 2o4x s HIS 735 Cb -0.15 -3.06 -0.05 0.00 1.11 0.00 0.00 32.58 30.44 2o4x s HIS 735 CO -0.01 -0.22 -0.15 0.14 -0.85 0.00 0.00 174.74 173.65 2o4x s VAL 736 N 2.06 1.92 -0.13 -0.90 -7.23 0.50 -0.10 120.40 116.51 2o4x s VAL 736 Ca 0.41 -2.26 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 2o4x s VAL 736 Cb -0.17 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.65 2o4x s VAL 736 CO 0.14 -0.53 -0.16 0.12 -0.31 0.00 0.00 175.10 174.36 2o4x s PHE 737 N -2.86 2.21 -0.63 2.82 5.36 -0.09 -1.78 117.98 123.01 2o4x s PHE 737 Ca 0.25 -1.14 -0.27 0.00 -0.96 0.00 0.00 56.93 54.81 2o4x s PHE 737 Cb -0.02 -1.58 0.03 0.00 -0.34 0.00 0.00 43.02 41.12 2o4x s PHE 737 CO 0.09 -0.58 1.18 0.71 -1.46 0.00 0.00 175.22 175.16 2o4x s TYR 738 N 1.12 2.53 0.36 10.12 2.02 -0.16 -0.58 117.35 132.75 2o4x s TYR 738 Ca -0.03 0.16 0.32 0.00 -0.37 0.00 0.00 57.07 57.16 2o4x s TYR 738 Cb -0.14 -4.49 1.59 0.00 -0.40 0.00 0.00 41.96 38.51 2o4x s TYR 738 CO -0.05 -1.72 2.09 -0.84 -1.57 0.00 0.00 175.55 173.46 2o4x h ILE 739 N 6.09 0.30 -0.00 2.71 3.07 -1.81 0.19 117.51 128.05 2o4x h ILE 739 Ca -0.26 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 65.68 2o4x h ILE 739 Cb 1.06 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 2o4x h ILE 739 CO 1.21 0.07 -0.62 0.47 -1.05 0.00 0.00 178.15 178.23 2o4x n ASP 740 N -3.36 1.11 0.00 2.16 8.00 -1.26 -2.58 116.55 120.62 2o4x n ASP 740 Ca -0.01 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.58 2o4x n ASP 740 Cb 0.24 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.87 2o4x n ASP 740 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2o4x n TYR 741 N -1.01 0.00 0.00 1.24 4.01 -0.90 -3.49 117.16 117.01 2o4x n TYR 741 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2o4x n TYR 741 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 2o4x n TYR 741 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2o4x n GLY 742 N 2.09 1.20 3.84 2.72 0.00 0.63 -4.16 105.19 111.51 2o4x n GLY 742 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2o4x n GLY 742 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o4x s ASN 743 N -1.72 5.31 0.21 1.61 4.22 -1.26 -4.77 114.94 118.53 2o4x s ASN 743 Ca 0.00 1.36 0.09 0.00 -2.14 0.00 0.00 52.86 52.17 2o4x s ASN 743 Cb 0.00 -2.21 -0.05 0.00 1.28 0.00 0.00 41.25 40.27 2o4x s ASN 743 CO 0.00 -1.46 -0.16 -0.13 -2.04 0.00 0.00 177.10 173.32 2o4x s ARG 744 N -5.19 1.37 -0.07 3.55 0.52 -1.26 -0.99 118.95 116.88 2o4x s ARG 744 Ca 0.58 -1.59 -0.26 0.00 -0.52 0.00 0.00 55.73 53.94 2o4x s ARG 744 Cb -0.13 -1.25 0.06 0.00 0.52 0.00 0.00 34.95 34.15 2o4x s ARG 744 CO 0.54 0.22 0.59 -2.00 0.02 0.00 0.00 175.30 174.67 2o4x s GLU 745 N -3.49 0.92 -0.27 3.54 2.12 -0.73 -5.00 118.70 115.79 2o4x s GLU 745 Ca 0.23 0.27 -0.09 0.00 0.36 0.00 0.00 54.97 55.74 2o4x s GLU 745 Cb -0.02 0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 2o4x s GLU 745 CO 0.08 -0.26 0.11 0.08 -0.54 0.00 0.00 175.26 174.74 2o4x s VAL 746 N -0.95 4.61 0.10 3.70 1.01 -1.26 -0.37 120.40 127.23 2o4x s VAL 746 Ca -0.10 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2o4x s VAL 746 Cb -0.02 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2o4x s VAL 746 CO 0.07 0.27 -0.06 -1.48 0.00 0.00 0.00 175.10 173.91 2o4x s LEU 747 N 1.65 2.48 0.62 3.92 0.05 -0.43 -4.86 118.68 122.10 2o4x s LEU 747 Ca 0.06 -1.02 -0.15 0.00 0.05 0.00 0.00 54.13 53.08 2o4x s LEU 747 Cb -0.16 -0.05 -0.03 0.00 -2.05 0.00 0.00 46.19 43.91 2o4x s LEU 747 CO 0.06 -0.48 1.06 -2.16 -0.55 0.00 0.00 176.35 174.28 2o4x s PRO 748 N -3.85 3.20 0.63 1.48 0.04 -1.19 -0.48 135.00 134.82 2o4x s PRO 748 Ca 0.12 1.19 0.40 0.00 0.04 0.00 0.00 61.00 62.75 2o4x s PRO 748 Cb 0.06 -2.02 2.08 0.00 0.04 0.00 0.00 34.50 34.66 2o4x s PRO 748 CO -0.05 -0.91 2.26 0.66 0.04 0.00 0.00 177.00 179.00 2o4x h SER 749 N 0.22 0.00 0.61 6.66 4.64 -0.99 0.40 113.55 125.09 2o4x h SER 749 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2o4x h SER 749 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2o4x h SER 749 CO 0.57 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 2o4x n THR 750 N -3.19 0.86 -0.55 2.95 -2.24 -1.26 -2.17 114.28 108.68 2o4x n THR 750 Ca -0.02 0.21 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 2o4x n THR 750 Cb 0.14 -0.96 0.28 0.00 -2.10 0.00 0.00 70.33 67.68 2o4x n THR 750 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2o4x n ARG 751 N -1.63 3.25 -4.42 -0.78 1.74 0.13 -4.97 116.66 109.98 2o4x n ARG 751 Ca 0.04 -2.62 -0.24 0.00 -0.77 0.00 0.00 57.85 54.26 2o4x n ARG 751 Cb 0.20 -1.67 -0.09 0.00 -1.02 0.00 0.00 32.46 29.88 2o4x n ARG 751 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2o4x s LEU 752 N -1.73 2.81 0.31 0.55 1.43 -0.92 -0.80 118.68 120.32 2o4x s LEU 752 Ca 0.41 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 2o4x s LEU 752 Cb 0.26 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 45.25 2o4x s LEU 752 CO 0.19 -0.06 0.65 -0.83 0.23 0.00 0.00 176.35 176.53 2o4x s GLY 753 N -3.60 0.38 0.17 -3.19 0.00 -0.33 -4.94 107.32 95.80 2o4x s GLY 753 Ca 0.32 -0.71 -0.30 0.00 0.00 0.00 0.00 44.72 44.02 2o4x s GLY 753 CO 0.17 -0.39 1.25 -1.59 0.00 0.00 0.00 173.10 172.54 2o4x s THR 754 N -3.43 3.48 -0.49 0.90 2.01 -1.26 -1.51 115.64 115.33 2o4x s THR 754 Ca 0.17 1.20 -0.25 0.00 0.31 0.00 0.00 61.69 63.13 2o4x s THR 754 Cb -0.04 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.74 2o4x s THR 754 CO 0.10 0.17 0.91 -0.22 -0.69 0.00 0.00 174.62 174.89 2o4x s LEU 755 N 0.03 4.08 0.39 4.42 2.96 -1.26 -4.40 118.68 124.90 2o4x s LEU 755 Ca 0.56 -0.10 -0.25 0.00 -0.22 0.00 0.00 54.13 54.12 2o4x s LEU 755 Cb -0.34 -3.02 -0.09 0.00 0.50 0.00 0.00 46.19 43.24 2o4x s LEU 755 CO 0.36 -1.10 1.07 -0.94 -1.32 0.00 0.00 176.35 174.42 2o4x s SER 756 N 2.46 6.76 0.61 3.68 1.04 -1.26 -4.90 113.70 122.10 2o4x s SER 756 Ca 0.33 2.09 0.30 0.00 0.48 0.00 0.00 55.95 59.15 2o4x s SER 756 Cb -0.11 -2.59 1.63 0.00 0.10 0.00 0.00 66.02 65.05 2o4x s SER 756 CO 0.23 -0.49 2.00 -0.65 0.98 0.00 0.00 173.24 175.31 2o4x h PRO 757 N 2.61 0.00 0.00 4.02 0.11 -1.99 -0.30 132.00 136.46 2o4x h PRO 757 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2o4x h PRO 757 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2o4x h PRO 757 CO 0.63 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.40 2o4x h ALA 758 N 1.56 1.04 0.00 -0.75 0.00 -2.03 -2.91 119.26 116.16 2o4x h ALA 758 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2o4x h ALA 758 Cb 0.75 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2o4x h ALA 758 CO -0.00 0.03 -0.23 1.19 0.00 0.00 0.00 179.25 180.24 2o4x n PHE 759 N -3.16 0.00 -1.78 0.00 3.72 -0.12 -4.89 117.46 111.23 2o4x n PHE 759 Ca -0.01 -1.17 -0.29 0.00 -0.05 0.00 0.00 57.45 55.92 2o4x n PHE 759 Cb 0.22 -0.19 0.14 0.00 -0.94 0.00 0.00 39.48 38.71 2o4x n PHE 759 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2o4x s SER 760 N -2.97 3.63 0.59 4.37 1.04 -1.10 -4.84 113.70 114.42 2o4x s SER 760 Ca 0.34 0.65 0.38 0.00 0.48 0.00 0.00 55.95 57.80 2o4x s SER 760 Cb 0.31 -1.01 1.79 0.00 0.10 0.00 0.00 66.02 67.21 2o4x s SER 760 CO -0.01 -2.45 2.13 0.74 0.98 0.00 0.00 173.24 174.63 2o4x h THR 761 N -1.43 0.00 -0.09 2.02 2.02 -1.91 -1.99 112.91 111.53 2o4x h THR 761 Ca -0.46 -0.30 -0.19 0.00 0.77 0.00 0.00 66.41 66.23 2o4x h THR 761 Cb 1.30 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2o4x h THR 761 CO 0.55 0.00 -0.74 0.03 0.37 0.00 0.00 175.52 175.72 2o4x h ARG 762 N 0.00 0.47 -0.10 6.66 3.08 -1.92 -2.77 114.38 119.80 2o4x h ARG 762 Ca 0.00 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 2o4x h ARG 762 Cb 0.30 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2o4x h ARG 762 CO 0.00 1.02 -0.05 0.28 -1.07 0.00 0.00 179.97 180.14 2o4x h VAL 763 N 0.32 1.33 -2.77 2.04 2.07 -1.70 -3.44 116.25 114.10 2o4x h VAL 763 Ca -0.03 -1.09 -0.18 0.00 0.82 0.00 0.00 66.70 66.21 2o4x h VAL 763 Cb 1.33 1.84 -0.31 0.00 -1.52 0.00 0.00 31.29 32.62 2o4x h VAL 763 CO 0.13 0.31 -0.49 -0.22 0.02 0.00 0.00 177.57 177.33 2o4x s LEU 764 N -9.28 -0.38 0.75 2.57 2.96 -0.81 -5.04 118.68 109.45 2o4x s LEU 764 Ca -0.15 0.70 -0.15 0.00 -0.22 0.00 0.00 54.13 54.31 2o4x s LEU 764 Cb 0.04 0.88 0.05 0.00 0.50 0.00 0.00 46.19 47.66 2o4x s LEU 764 CO 0.72 -0.24 1.24 -2.84 -1.32 0.00 0.00 176.35 173.91 2o4x s PRO 765 N 2.44 1.98 0.09 0.98 0.02 -1.05 -4.00 135.00 135.46 2o4x s PRO 765 Ca 0.00 1.87 -0.37 0.00 0.02 0.00 0.00 61.00 62.52 2o4x s PRO 765 Cb -0.12 -1.80 -0.17 0.00 0.02 0.00 0.00 34.50 32.43 2o4x s PRO 765 CO -0.10 -1.98 1.26 0.00 -0.33 0.00 0.00 177.00 175.86 2o4x n ALA 766 N -2.77 -1.37 0.60 -1.55 0.00 -1.26 -4.87 120.51 109.29 2o4x n ALA 766 Ca 0.14 0.52 0.11 0.00 0.00 0.00 0.00 53.44 54.22 2o4x n ALA 766 Cb 0.50 -2.02 0.07 0.00 0.00 0.00 0.00 19.45 18.00 2o4x n ALA 766 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2o4x n GLN 767 N 2.24 0.27 -3.58 0.00 1.13 -1.18 -4.87 117.38 111.38 2o4x n GLN 767 Ca 0.18 0.02 -0.37 0.00 -1.94 0.00 0.00 57.00 54.88 2o4x n GLN 767 Cb 0.18 -1.61 -0.06 0.00 0.11 0.00 0.00 30.24 28.86 2o4x n GLN 767 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2o4x s ALA 768 N -3.18 3.70 -0.05 -1.58 0.00 -1.07 -4.24 121.76 115.35 2o4x s ALA 768 Ca 0.05 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 51.69 2o4x s ALA 768 Cb 0.14 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 2o4x s ALA 768 CO 0.78 0.37 -0.24 0.99 0.00 0.00 0.00 175.76 177.66 2o4x s THR 769 N -0.53 1.99 0.02 0.00 2.01 -0.33 -4.91 115.64 113.89 2o4x s THR 769 Ca 0.20 -1.04 -0.23 0.00 0.31 0.00 0.00 61.69 60.93 2o4x s THR 769 Cb -0.14 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 2o4x s THR 769 CO 0.08 0.56 0.68 -0.70 -0.69 0.00 0.00 174.62 174.55 2o4x s GLU 770 N -0.26 4.41 0.17 4.92 2.12 -1.26 -1.29 118.70 127.51 2o4x s GLU 770 Ca -0.00 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.23 2o4x s GLU 770 Cb -0.13 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2o4x s GLU 770 CO 0.02 0.34 0.06 0.71 -0.54 0.00 0.00 175.26 175.85 2o4x s TYR 771 N -0.17 1.13 0.19 5.30 2.02 0.45 -4.46 117.35 121.81 2o4x s TYR 771 Ca 0.35 -1.18 0.08 0.00 -0.37 0.00 0.00 57.07 55.94 2o4x s TYR 771 Cb -0.19 -0.63 -0.05 0.00 -0.40 0.00 0.00 41.96 40.69 2o4x s TYR 771 CO 0.20 -0.41 -0.15 0.00 -1.57 0.00 0.00 175.55 173.62 2o4x s ALA 772 N -3.89 1.98 0.05 3.71 0.00 -0.80 -1.07 121.76 121.74 2o4x s ALA 772 Ca 0.28 -1.62 -0.30 0.00 0.00 0.00 0.00 51.96 50.32 2o4x s ALA 772 Cb 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 2o4x s ALA 772 CO 0.06 0.09 1.16 -0.06 0.00 0.00 0.00 175.76 177.01 2o4x s PHE 773 N -2.81 3.48 0.48 0.00 0.08 -1.26 -0.85 117.98 117.10 2o4x s PHE 773 Ca 0.21 1.37 -0.22 0.00 0.12 0.00 0.00 56.93 58.41 2o4x s PHE 773 Cb -0.02 -3.37 -0.07 0.00 -0.57 0.00 0.00 43.02 38.99 2o4x s PHE 773 CO 0.07 -1.05 1.12 0.00 -0.10 0.00 0.00 175.22 175.25 2o4x s ALA 774 N 1.07 2.89 0.00 5.36 0.00 0.69 -4.09 121.76 127.67 2o4x s ALA 774 Ca 0.57 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2o4x s ALA 774 Cb -0.28 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2o4x s ALA 774 CO 0.29 -0.57 0.00 1.19 0.00 0.00 0.00 175.76 176.67 2o4x n PHE 775 N -0.75 0.00 -4.20 0.00 3.72 -1.26 -4.91 117.46 110.05 2o4x n PHE 775 Ca 0.09 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.34 2o4x n PHE 775 Cb 0.50 -0.18 -0.11 0.00 -0.94 0.00 0.00 39.48 38.75 2o4x n PHE 775 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2o4x s ILE 776 N -2.39 1.05 -0.19 4.37 -4.36 -1.26 -0.76 121.20 117.65 2o4x s ILE 776 Ca 0.00 -1.76 -0.11 0.00 -0.26 0.00 0.00 60.65 58.51 2o4x s ILE 776 Cb 0.00 -1.51 -0.05 0.00 1.25 0.00 0.00 42.46 42.15 2o4x s ILE 776 CO 0.00 -0.59 0.19 -1.10 0.24 0.00 0.00 174.94 173.68 2o4x s GLN 777 N -3.03 4.20 -0.04 0.37 -0.21 0.36 -4.52 119.66 116.78 2o4x s GLN 777 Ca 0.09 -0.11 -0.30 0.00 0.02 0.00 0.00 55.36 55.06 2o4x s GLN 777 Cb -0.02 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.51 2o4x s GLN 777 CO 0.00 0.24 1.33 0.08 -2.12 0.00 0.00 175.29 174.83 2o4x s VAL 778 N 0.51 3.95 0.33 1.09 1.01 -1.26 -3.98 120.40 122.04 2o4x s VAL 778 Ca 0.11 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 63.09 2o4x s VAL 778 Cb -0.12 -3.83 -0.12 0.00 0.00 0.00 0.00 36.38 32.31 2o4x s VAL 778 CO 0.01 -0.02 1.39 -2.65 0.00 0.00 0.00 175.10 173.82 2o4x n PRO 779 N 5.60 2.30 0.09 2.72 -0.02 -1.26 -4.91 135.00 139.52 2o4x n PRO 779 Ca 0.13 0.81 -0.13 0.00 -2.02 0.00 0.00 63.50 62.29 2o4x n PRO 779 Cb 0.45 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.33 2o4x n PRO 779 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2o4x h GLN 780 N 3.19 0.18 -6.54 -0.52 1.08 -1.98 -3.41 115.11 107.11 2o4x h GLN 780 Ca -0.47 -0.30 -0.53 0.00 -1.45 0.00 0.00 58.65 55.90 2o4x h GLN 780 Cb 1.27 0.11 0.02 0.00 -0.05 0.00 0.00 27.48 28.83 2o4x h GLN 780 CO 0.67 1.14 0.78 -0.51 -0.95 0.00 0.00 178.83 179.96 2o4x s ASP 781 N -6.99 6.77 0.28 1.46 1.11 -1.26 -4.91 116.67 113.13 2o4x s ASP 781 Ca -0.02 2.37 -0.00 0.00 0.18 0.00 0.00 52.55 55.07 2o4x s ASP 781 Cb 0.08 -2.58 0.49 0.00 1.07 0.00 0.00 42.92 41.98 2o4x s ASP 781 CO 0.86 -0.70 1.86 0.44 1.18 0.00 0.00 175.17 178.81 2o4x h ASP 782 N 6.97 0.98 -0.03 0.27 3.32 -1.99 -1.04 116.42 124.90 2o4x h ASP 782 Ca -0.42 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 2o4x h ASP 782 Cb 1.21 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 2o4x h ASP 782 CO 0.88 0.57 -0.01 -2.24 -1.72 0.00 0.00 179.24 176.72 2o4x h ASP 783 N 1.08 0.05 -0.74 6.45 3.04 -1.97 -1.13 116.42 123.21 2o4x h ASP 783 Ca 0.47 -0.41 0.09 0.00 -3.24 0.00 0.00 57.03 53.93 2o4x h ASP 783 Cb 0.34 -0.01 -0.07 0.00 -1.04 0.00 0.00 39.33 38.55 2o4x h ASP 783 CO -0.22 0.45 0.40 0.00 -2.04 0.00 0.00 179.24 177.83 2o4x h ALA 784 N 0.60 1.02 -0.40 4.15 0.00 -1.91 -2.13 119.26 120.59 2o4x h ALA 784 Ca 0.01 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2o4x h ALA 784 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2o4x h ALA 784 CO 0.00 0.03 -0.05 -0.09 0.00 0.00 0.00 179.25 179.14 2o4x h ARG 785 N 0.69 0.74 -0.76 0.00 2.43 -1.15 -2.03 114.38 114.29 2o4x h ARG 785 Ca 0.35 -0.26 0.09 0.00 -0.81 0.00 0.00 59.98 59.35 2o4x h ARG 785 Cb 0.32 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.75 2o4x h ARG 785 CO -0.24 0.85 0.42 1.15 -1.51 0.00 0.00 179.97 180.64 2o4x h THR 786 N 0.56 0.90 -0.92 0.20 2.02 -1.00 -0.11 112.91 114.56 2o4x h THR 786 Ca 0.11 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.05 2o4x h THR 786 Cb 0.55 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 2o4x h THR 786 CO 0.03 0.13 0.60 0.44 0.37 0.00 0.00 175.52 177.09 2o4x h ASP 787 N 0.71 1.07 -0.02 4.18 3.32 -1.02 -0.03 116.42 124.62 2o4x h ASP 787 Ca 0.36 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 2o4x h ASP 787 Cb 0.33 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2o4x h ASP 787 CO -0.24 0.78 -0.01 0.00 -1.72 0.00 0.00 179.24 178.05 2o4x h ALA 788 N 1.33 0.03 -0.61 3.45 0.00 -0.66 -2.62 119.26 120.19 2o4x h ALA 788 Ca 0.34 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2o4x h ALA 788 Cb -0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 2o4x h ALA 788 CO -0.07 -0.27 0.23 0.28 0.00 0.00 0.00 179.25 179.42 2o4x h VAL 789 N -0.33 0.78 -0.92 0.00 2.07 -0.94 -2.20 116.25 114.72 2o4x h VAL 789 Ca 0.01 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2o4x h VAL 789 Cb 0.40 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2o4x h VAL 789 CO 0.00 0.08 0.60 0.44 0.02 0.00 0.00 177.57 178.71 2o4x h ASP 790 N 0.42 1.03 -0.51 0.57 3.32 -0.97 0.19 116.42 120.45 2o4x h ASP 790 Ca 0.31 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2o4x h ASP 790 Cb 0.37 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2o4x h ASP 790 CO -0.30 0.73 0.27 -1.28 -1.72 0.00 0.00 179.24 176.93 2o4x h SER 791 N 1.21 0.66 -0.37 6.45 0.87 -1.07 -1.52 113.55 119.77 2o4x h SER 791 Ca 0.35 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.70 2o4x h SER 791 Cb -0.08 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2o4x h SER 791 CO -0.09 0.58 -0.16 0.58 -0.53 0.00 0.00 176.83 177.21 2o4x h VAL 792 N 0.68 1.28 -0.26 2.23 2.07 -0.91 -1.86 116.25 119.49 2o4x h VAL 792 Ca 0.18 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.44 2o4x h VAL 792 Cb 0.08 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2o4x h VAL 792 CO -0.03 0.42 0.12 0.58 0.02 0.00 0.00 177.57 178.68 2o4x h VAL 793 N 0.56 0.98 -0.87 2.57 2.07 -0.57 0.29 116.25 121.27 2o4x h VAL 793 Ca 0.09 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2o4x h VAL 793 Cb 0.70 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2o4x h VAL 793 CO 0.05 0.05 0.58 -0.09 0.02 0.00 0.00 177.57 178.17 2o4x h ARG 794 N 0.25 1.15 0.04 1.57 2.43 -1.21 -2.68 114.38 115.94 2o4x h ARG 794 Ca 0.11 -0.07 -0.31 0.00 -0.81 0.00 0.00 59.98 58.90 2o4x h ARG 794 Cb 0.04 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 2o4x h ARG 794 CO -0.08 0.77 -1.72 -0.44 -1.51 0.00 0.00 179.97 176.99 2o4x h ASP 795 N 1.19 0.13 0.00 -3.80 3.32 -1.00 -3.43 116.42 112.83 2o4x h ASP 795 Ca 0.32 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2o4x h ASP 795 Cb -0.13 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2o4x h ASP 795 CO -0.07 1.24 -0.26 2.30 -1.72 0.00 0.00 179.24 180.73 2o4x n ILE 796 N -3.20 0.00 -1.90 0.35 -5.35 0.06 -4.99 119.36 104.34 2o4x n ILE 796 Ca -0.19 -0.13 -0.42 0.00 -0.27 0.00 0.00 62.75 61.75 2o4x n ILE 796 Cb 1.04 0.62 -0.02 0.00 -1.74 0.00 0.00 39.64 39.55 2o4x n ILE 796 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2o4x s GLN 797 N -0.77 4.20 -1.34 6.28 0.74 -1.01 -1.83 119.66 125.93 2o4x s GLN 797 Ca 0.00 2.43 -0.07 0.00 0.05 0.00 0.00 55.36 57.77 2o4x s GLN 797 Cb 0.00 -3.08 0.02 0.00 1.10 0.00 0.00 33.01 31.04 2o4x s GLN 797 CO 0.00 -0.55 1.10 0.09 -0.55 0.00 0.00 175.29 175.39 2o4x n ASN 798 N 2.60 -5.01 -4.19 6.67 5.03 0.13 -4.97 115.26 115.53 2o4x n ASN 798 Ca 0.09 -0.60 -0.11 0.00 0.87 0.00 0.00 54.58 54.83 2o4x n ASN 798 Cb 0.39 -4.90 -0.10 0.00 -1.02 0.00 0.00 39.78 34.15 2o4x n ASN 798 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2o4x s THR 799 N -3.34 0.44 0.08 3.41 -4.23 -0.76 -4.96 115.64 106.27 2o4x s THR 799 Ca 0.44 -1.94 -0.24 0.00 -1.18 0.00 0.00 61.69 58.77 2o4x s THR 799 Cb -0.20 -2.00 -0.06 0.00 1.34 0.00 0.00 72.50 71.58 2o4x s THR 799 CO 0.74 -0.56 0.72 -1.58 -0.54 0.00 0.00 174.62 173.41 2o4x s GLN 800 N -3.95 4.45 0.24 3.99 0.74 -1.26 -1.05 119.66 122.82 2o4x s GLN 800 Ca 0.21 1.00 0.01 0.00 0.05 0.00 0.00 55.36 56.63 2o4x s GLN 800 Cb 0.07 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 2o4x s GLN 800 CO 0.01 0.42 0.12 0.00 -0.55 0.00 0.00 175.29 175.29 2o4x s LEU 802 N -3.27 3.38 -0.03 0.00 1.43 -0.73 -0.75 118.68 118.71 2o4x s LEU 802 Ca 0.38 0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 2o4x s LEU 802 Cb 0.07 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 2o4x s LEU 802 CO 0.14 0.33 -0.23 -0.22 0.23 0.00 0.00 176.35 176.59 2o4x s LEU 803 N -0.60 2.03 -0.13 1.79 0.20 0.20 -0.17 118.68 122.01 2o4x s LEU 803 Ca 0.09 -0.44 -0.00 0.00 0.69 0.00 0.00 54.13 54.46 2o4x s LEU 803 Cb -0.12 -1.23 0.03 0.00 -0.43 0.00 0.00 46.19 44.44 2o4x s LEU 803 CO 0.02 0.26 -0.07 0.21 -0.29 0.00 0.00 176.35 176.48 2o4x s ASN 804 N -0.34 2.39 -0.09 3.68 2.47 -0.52 -0.68 114.94 121.86 2o4x s ASN 804 Ca 0.03 -0.42 -0.30 0.00 0.42 0.00 0.00 52.86 52.59 2o4x s ASN 804 Cb -0.11 -0.85 -0.03 0.00 -1.45 0.00 0.00 41.25 38.80 2o4x s ASN 804 CO 0.01 -0.14 1.31 -0.69 -3.72 0.00 0.00 177.10 173.87 2o4x s VAL 805 N 1.69 4.09 -0.18 -5.21 1.01 -1.26 -1.45 120.40 119.09 2o4x s VAL 805 Ca 0.04 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.28 2o4x s VAL 805 Cb -0.13 -3.89 -0.21 0.00 0.00 0.00 0.00 36.38 32.14 2o4x s VAL 805 CO -0.08 -0.06 0.17 -0.62 0.00 0.00 0.00 175.10 174.50 2o4x n GLU 806 N 6.02 0.66 -3.56 2.72 -0.58 0.12 -4.95 120.64 121.07 2o4x n GLU 806 Ca 0.13 0.36 -0.06 0.00 -0.42 0.00 0.00 57.16 57.17 2o4x n GLU 806 Cb 0.45 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 2o4x n GLU 806 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2o4x s HIS 807 N -2.48 -0.23 0.70 -0.32 -3.43 -1.00 -5.02 115.29 103.51 2o4x s HIS 807 Ca -0.28 0.12 -0.13 0.00 -0.80 0.00 0.00 55.06 53.98 2o4x s HIS 807 Cb 0.08 0.53 0.02 0.00 -1.43 0.00 0.00 32.58 31.77 2o4x s HIS 807 CO 0.66 -0.39 1.09 -0.51 -2.00 0.00 0.00 174.74 173.58 2o4x s LEU 808 N -2.39 3.23 0.27 5.38 1.43 -1.26 -1.17 118.68 124.17 2o4x s LEU 808 Ca 0.08 1.85 -0.10 0.00 -1.03 0.00 0.00 54.13 54.93 2o4x s LEU 808 Cb -0.01 -4.53 -0.00 0.00 0.03 0.00 0.00 46.19 41.68 2o4x s LEU 808 CO -0.06 -1.69 0.46 -0.55 0.23 0.00 0.00 176.35 174.73 2o4x s SER 809 N -3.10 0.12 0.28 2.29 0.15 -1.26 -4.79 113.70 107.40 2o4x s SER 809 Ca 0.63 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 56.20 2o4x s SER 809 Cb -0.18 0.59 0.52 0.00 -1.71 0.00 0.00 66.02 65.24 2o4x s SER 809 CO 0.48 -1.16 1.86 0.00 1.20 0.00 0.00 173.24 175.62 2o4x h ALA 810 N 2.25 1.49 -3.00 5.45 0.00 -2.02 -3.41 119.26 120.02 2o4x h ALA 810 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2o4x h ALA 810 Cb 1.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2o4x h ALA 810 CO 0.38 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.34 2o4x n GLY 811 N -1.36 0.56 3.87 0.00 0.00 -1.26 -5.07 105.19 101.93 2o4x n GLY 811 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2o4x n GLY 811 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4x s PRO 813 N -5.17 2.23 -0.12 0.00 0.02 -1.26 -4.30 135.00 126.40 2o4x s PRO 813 Ca 0.55 1.74 -0.10 0.00 0.02 0.00 0.00 61.00 63.21 2o4x s PRO 813 Cb -0.11 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 2o4x s PRO 813 CO 0.54 -1.76 0.20 -1.01 -0.33 0.00 0.00 177.00 174.64 2o4x s HIS 814 N -1.99 3.56 0.12 6.54 3.76 -0.31 -1.90 115.29 125.06 2o4x s HIS 814 Ca 0.74 0.56 -0.01 0.00 -0.15 0.00 0.00 55.06 56.21 2o4x s HIS 814 Cb -0.29 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 2o4x s HIS 814 CO 0.44 0.56 0.03 0.14 -0.85 0.00 0.00 174.74 175.07 2o4x s VAL 815 N -0.54 0.18 0.07 -0.90 -7.23 -0.03 -0.71 120.40 111.25 2o4x s VAL 815 Ca 0.15 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.47 2o4x s VAL 815 Cb -0.13 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 2o4x s VAL 815 CO 0.04 -0.59 -0.02 0.42 -0.31 0.00 0.00 175.10 174.64 2o4x s THR 816 N -3.99 3.90 0.03 5.32 -4.23 -0.53 -0.22 115.64 115.92 2o4x s THR 816 Ca 0.20 -0.96 0.06 0.00 -1.18 0.00 0.00 61.69 59.82 2o4x s THR 816 Cb 0.07 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 2o4x s THR 816 CO -0.01 0.18 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.32 2o4x s LEU 817 N -2.11 2.67 -0.09 4.79 1.43 -1.26 -1.44 118.68 122.67 2o4x s LEU 817 Ca 0.23 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2o4x s LEU 817 Cb -0.12 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2o4x s LEU 817 CO 0.16 0.27 -0.14 -1.10 0.23 0.00 0.00 176.35 175.76 2o4x s GLN 818 N -1.38 2.96 0.76 1.70 -1.52 0.76 -1.15 119.66 121.80 2o4x s GLN 818 Ca 0.15 -0.70 -0.14 0.00 -1.95 0.00 0.00 55.36 52.72 2o4x s GLN 818 Cb -0.11 -2.50 0.05 0.00 -0.22 0.00 0.00 33.01 30.23 2o4x s GLN 818 CO 0.05 0.41 1.19 -0.06 -0.25 0.00 0.00 175.29 176.63 2o4x s PHE 819 N -0.16 2.03 0.87 0.91 0.08 0.17 -1.78 117.98 120.10 2o4x s PHE 819 Ca -0.01 1.62 -0.10 0.00 0.12 0.00 0.00 56.93 58.56 2o4x s PHE 819 Cb -0.13 -3.42 0.12 0.00 -0.57 0.00 0.00 43.02 39.01 2o4x s PHE 819 CO 0.03 -2.57 1.12 0.00 -0.10 0.00 0.00 175.22 173.70 2o4x s ALA 820 N -2.13 1.68 -1.15 5.36 0.00 -1.26 -4.00 121.76 120.26 2o4x s ALA 820 Ca 0.72 0.40 -0.07 0.00 0.00 0.00 0.00 51.96 53.02 2o4x s ALA 820 Cb -0.27 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.49 2o4x s ALA 820 CO 0.47 -2.42 0.95 -0.25 0.00 0.00 0.00 175.76 174.52 2o4x n ASP 821 N -3.98 -5.66 -3.75 0.00 8.00 -1.26 -3.01 116.55 106.88 2o4x n ASP 821 Ca 0.10 -0.43 -0.30 0.00 0.71 0.00 0.00 54.79 54.87 2o4x n ASP 821 Cb 0.53 -4.29 -0.06 0.00 -0.02 0.00 0.00 41.12 37.28 2o4x n ASP 821 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2o4x n SER 822 N -2.24 -1.42 0.01 -2.24 3.41 -1.26 -4.82 113.62 105.07 2o4x n SER 822 Ca -0.00 -0.80 0.11 0.00 -0.26 0.00 0.00 58.87 57.92 2o4x n SER 822 Cb 0.55 -1.26 0.48 0.00 -0.26 0.00 0.00 64.21 63.72 2o4x n SER 822 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2o4x n LYS 823 N -3.26 0.02 0.00 4.33 4.81 -1.16 -5.01 118.16 117.89 2o4x n LYS 823 Ca 0.08 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 2o4x n LYS 823 Cb 0.39 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.90 2o4x n LYS 823 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2o4x n GLY 824 N 0.83 -0.39 3.66 3.14 0.00 -1.26 -4.89 105.19 106.27 2o4x n GLY 824 Ca 0.05 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 2o4x n GLY 824 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2o4x s ASP 825 N -4.00 6.94 0.04 1.61 -1.08 -1.26 -0.66 116.67 118.26 2o4x s ASP 825 Ca 0.00 1.16 -0.22 0.00 -0.52 0.00 0.00 52.55 52.97 2o4x s ASP 825 Cb 0.00 -2.46 -0.15 0.00 -1.46 0.00 0.00 42.92 38.85 2o4x s ASP 825 CO 0.00 -0.50 1.44 0.58 0.52 0.00 0.00 175.17 177.21 2o4x h VAL 826 N 5.33 1.28 -0.67 1.11 2.07 -1.50 -1.85 116.25 122.02 2o4x h VAL 826 Ca -0.25 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 2o4x h VAL 826 Cb 1.10 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 2o4x h VAL 826 CO 0.88 0.26 0.29 1.23 0.02 0.00 0.00 177.57 180.24 2o4x h GLY 827 N -0.11 1.06 1.04 2.17 0.00 -1.93 -2.15 103.07 103.14 2o4x h GLY 827 Ca 0.03 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 46.83 2o4x h GLY 827 CO 0.01 0.53 0.59 -2.00 0.00 0.00 0.00 176.54 175.66 2o4x h LEU 828 N 0.94 0.98 -1.02 3.11 5.85 -1.92 -1.80 115.31 121.45 2o4x h LEU 828 Ca 0.22 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2o4x h LEU 828 Cb 0.18 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2o4x h LEU 828 CO -0.02 0.68 0.44 1.23 -0.34 0.00 0.00 178.44 180.43 2o4x h GLY 829 N 1.14 1.20 1.03 3.75 0.00 -0.72 -0.08 103.07 109.38 2o4x h GLY 829 Ca 0.35 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 2o4x h GLY 829 CO -0.10 0.52 0.28 1.41 0.00 0.00 0.00 176.54 178.66 2o4x h LEU 830 N 1.13 0.98 -0.34 3.11 3.38 -0.78 -2.03 115.31 120.76 2o4x h LEU 830 Ca 0.28 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2o4x h LEU 830 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2o4x h LEU 830 CO -0.05 0.89 0.22 0.58 0.09 0.00 0.00 178.44 180.17 2o4x h VAL 831 N 1.02 1.08 0.00 1.22 2.07 -0.70 -1.45 116.25 119.49 2o4x h VAL 831 Ca 0.24 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 2o4x h VAL 831 Cb 0.21 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2o4x h VAL 831 CO -0.02 0.08 -0.12 0.11 0.02 0.00 0.00 177.57 177.64 2o4x h LYS 832 N 0.45 0.00 -0.01 1.57 1.57 -0.78 -1.43 116.57 117.95 2o4x h LYS 832 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2o4x h LYS 832 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2o4x h LYS 832 CO -0.03 0.12 -0.05 0.39 -0.57 0.00 0.00 179.45 179.31 2o4x n GLU 833 N -4.12 1.39 -1.26 3.15 1.02 -0.79 -4.26 120.64 115.78 2o4x n GLU 833 Ca -0.02 -0.73 -0.09 0.00 -0.02 0.00 0.00 57.16 56.30 2o4x n GLU 833 Cb 0.20 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.10 2o4x n GLU 833 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2o4x n GLY 834 N 1.19 1.06 0.12 0.62 0.00 -0.54 -4.26 105.19 103.38 2o4x n GLY 834 Ca 0.18 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.64 2o4x n GLY 834 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2o4x h LEU 835 N 0.00 0.00 -8.11 0.99 3.38 -1.49 0.46 115.31 110.54 2o4x h LEU 835 Ca -0.18 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 2o4x h LEU 835 Cb 0.57 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.16 2o4x h LEU 835 CO 0.26 0.21 -0.65 0.68 0.09 0.00 0.00 178.44 179.04 2o4x s VAL 836 N -3.19 0.18 0.39 1.22 -7.23 -1.22 -4.66 120.40 105.89 2o4x s VAL 836 Ca -0.00 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 2o4x s VAL 836 Cb 0.09 -1.11 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 2o4x s VAL 836 CO 0.78 -0.80 0.59 -0.04 -0.31 0.00 0.00 175.10 175.31 2o4x s MET 837 N -3.12 3.28 0.09 4.82 -1.94 -1.26 -4.43 119.30 116.74 2o4x s MET 837 Ca -0.00 -0.47 -0.24 0.00 -1.71 0.00 0.00 55.69 53.26 2o4x s MET 837 Cb 0.02 -2.64 -0.06 0.00 2.01 0.00 0.00 34.83 34.16 2o4x s MET 837 CO -0.07 -0.03 0.73 0.08 -0.01 0.00 0.00 175.02 175.73 2o4x s VAL 838 N -2.39 4.61 -0.45 -6.03 1.01 -1.26 -0.49 120.40 115.40 2o4x s VAL 838 Ca 0.44 1.58 -0.21 0.00 0.00 0.00 0.00 61.98 63.79 2o4x s VAL 838 Cb -0.10 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.22 2o4x s VAL 838 CO 0.36 0.45 0.65 -0.70 0.00 0.00 0.00 175.10 175.86 2o4x s GLU 839 N -0.58 3.27 -0.92 2.72 2.12 0.06 -4.63 118.70 120.74 2o4x s GLU 839 Ca 0.36 -0.40 -0.24 0.00 0.36 0.00 0.00 54.97 55.05 2o4x s GLU 839 Cb -0.21 -3.96 0.03 0.00 0.26 0.00 0.00 34.13 30.25 2o4x s GLU 839 CO 0.23 -1.04 1.48 0.08 -0.54 0.00 0.00 175.26 175.47 2o4x s VAL 840 N 2.85 3.80 0.44 3.70 1.01 -1.26 -4.60 120.40 126.33 2o4x s VAL 840 Ca 0.22 -0.39 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 2o4x s VAL 840 Cb -0.14 -4.86 -0.08 0.00 0.00 0.00 0.00 36.38 31.30 2o4x s VAL 840 CO 0.19 -1.77 1.21 -0.13 0.00 0.00 0.00 175.10 174.60 2o4x s ARG 841 N 5.47 3.81 -0.02 2.72 1.81 -1.26 -4.98 118.95 126.50 2o4x s ARG 841 Ca 0.47 1.90 0.20 0.00 -1.72 0.00 0.00 55.73 56.57 2o4x s ARG 841 Cb -0.03 -2.52 -0.29 0.00 -0.45 0.00 0.00 34.95 31.65 2o4x s ARG 841 CO -0.02 -0.54 0.48 1.63 -0.68 0.00 0.00 175.30 176.17 2o4x n LYS 842 N -0.28 0.61 -1.66 3.54 4.76 -1.26 -4.86 118.16 119.01 2o4x n LYS 842 Ca 0.06 -0.15 -0.40 0.00 -2.87 0.00 0.00 58.31 54.95 2o4x n LYS 842 Cb 0.47 -1.45 0.03 0.00 -1.84 0.00 0.00 35.03 32.23 2o4x n LYS 842 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2o4x n GLU 843 N -2.08 1.46 -0.19 1.97 4.71 -1.26 -4.91 120.64 120.34 2o4x n GLU 843 Ca -0.03 0.53 -0.07 0.00 -0.01 0.00 0.00 57.16 57.59 2o4x n GLU 843 Cb 0.48 -2.27 0.02 0.00 -1.01 0.00 0.00 31.44 28.66 2o4x n GLU 843 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2o4x h LYS 844 N 1.40 0.75 0.00 3.49 1.79 -2.02 -2.71 116.57 119.27 2o4x h LYS 844 Ca -0.48 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 2o4x h LYS 844 Cb 1.33 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2o4x h LYS 844 CO 0.56 0.57 0.00 0.00 -1.08 0.00 0.00 179.45 179.50 2o4x n GLN 845 N -4.63 0.08 -0.09 3.15 0.00 -1.26 -1.78 117.38 112.85 2o4x n GLN 845 Ca 0.03 0.25 0.12 0.00 0.00 0.00 0.00 57.00 57.40 2o4x n GLN 845 Cb 0.08 -1.63 0.26 0.00 0.00 0.00 0.00 30.24 28.95 2o4x n GLN 845 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2o4x n PHE 846 N -1.77 0.23 -0.12 2.61 3.72 -1.02 -4.54 117.46 116.57 2o4x n PHE 846 Ca 0.04 -0.12 -0.07 0.00 -0.05 0.00 0.00 57.45 57.25 2o4x n PHE 846 Cb 0.24 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 2o4x n PHE 846 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2o4x h GLN 847 N 3.78 0.41 -0.44 -1.08 4.15 -1.38 -0.53 115.11 120.01 2o4x h GLN 847 Ca 0.00 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 2o4x h GLN 847 Cb 0.82 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2o4x h GLN 847 CO 0.00 0.27 -0.18 0.87 -1.93 0.00 0.00 178.83 177.85 2o4x h LYS 848 N 0.42 0.90 -0.31 1.69 1.57 -1.81 -1.85 116.57 117.18 2o4x h LYS 848 Ca 0.16 -0.38 -0.16 0.00 -1.87 0.00 0.00 60.65 58.40 2o4x h LYS 848 Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2o4x h LYS 848 CO -0.09 1.03 -0.43 -0.24 -0.57 0.00 0.00 179.45 179.15 2o4x h VAL 849 N 0.73 1.29 -0.72 0.50 3.04 -1.81 -2.32 116.25 116.95 2o4x h VAL 849 Ca 0.10 -1.61 -0.04 0.00 -1.01 0.00 0.00 66.70 64.14 2o4x h VAL 849 Cb 0.75 1.50 -0.03 0.00 -2.01 0.00 0.00 31.29 31.50 2o4x h VAL 849 CO 0.06 0.52 0.27 0.40 -1.01 0.00 0.00 177.57 177.82 2o4x h ILE 850 N 0.63 1.25 -0.70 3.17 1.08 -1.05 -0.58 117.51 121.31 2o4x h ILE 850 Ca 0.04 -0.80 0.03 0.00 -0.39 0.00 0.00 64.86 63.75 2o4x h ILE 850 Cb 0.99 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 2o4x h ILE 850 CO 0.10 0.32 0.43 0.74 -0.69 0.00 0.00 178.15 179.05 2o4x h THR 851 N 1.05 1.08 -0.42 -0.27 2.02 -1.19 -0.23 112.91 114.95 2o4x h THR 851 Ca 0.24 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 2o4x h THR 851 Cb 0.22 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2o4x h THR 851 CO -0.02 0.15 0.26 -0.08 0.37 0.00 0.00 175.52 176.21 2o4x h GLU 852 N 0.84 0.57 -0.13 6.66 4.81 -0.77 -1.63 114.58 124.93 2o4x h GLU 852 Ca 0.28 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2o4x h GLU 852 Cb 0.04 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2o4x h GLU 852 CO -0.11 0.41 0.03 1.88 -0.73 0.00 0.00 179.01 180.49 2o4x h TYR 853 N 0.56 0.21 -0.86 0.92 -1.99 -0.87 -2.20 116.97 112.74 2o4x h TYR 853 Ca 0.15 -0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.90 2o4x h TYR 853 Cb -0.02 -0.06 -0.05 0.00 2.00 0.00 0.00 36.73 38.60 2o4x h TYR 853 CO -0.04 0.35 0.57 -0.07 -0.00 0.00 0.00 178.16 178.97 2o4x h LEU 854 N 0.01 0.90 -0.66 3.88 3.38 -0.97 -0.57 115.31 121.28 2o4x h LEU 854 Ca 0.04 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2o4x h LEU 854 Cb 0.24 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2o4x h LEU 854 CO -0.00 0.61 0.30 0.78 0.09 0.00 0.00 178.44 180.21 2o4x h ASN 855 N 1.04 0.88 -0.68 -0.43 2.35 -1.17 -0.60 115.58 116.97 2o4x h ASN 855 Ca 0.35 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 2o4x h ASN 855 Cb 0.09 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 2o4x h ASN 855 CO -0.11 0.78 0.30 0.00 -1.65 0.00 0.00 177.43 176.75 2o4x h ALA 856 N 1.13 1.21 -0.33 -0.83 0.00 -0.76 -1.78 119.26 117.90 2o4x h ALA 856 Ca 0.22 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2o4x h ALA 856 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2o4x h ALA 856 CO -0.02 0.58 -0.33 0.37 0.00 0.00 0.00 179.25 179.85 2o4x h GLN 857 N 1.00 0.73 -0.74 0.00 4.15 -0.77 -1.28 115.11 118.21 2o4x h GLN 857 Ca 0.24 -0.34 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 2o4x h GLN 857 Cb 0.16 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2o4x h GLN 857 CO -0.02 0.95 0.34 1.49 -1.93 0.00 0.00 178.83 179.66 2o4x h GLU 858 N 0.61 1.06 -0.50 1.69 4.57 -0.80 -1.06 114.58 120.16 2o4x h GLU 858 Ca 0.06 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2o4x h GLU 858 Cb 0.86 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 2o4x h GLU 858 CO 0.07 0.83 0.23 0.77 -1.18 0.00 0.00 179.01 179.73 2o4x h SER 859 N 1.05 0.67 -0.64 1.04 0.02 -0.86 -1.60 113.55 113.22 2o4x h SER 859 Ca 0.25 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2o4x h SER 859 Cb 0.13 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2o4x h SER 859 CO -0.03 0.62 0.26 0.00 -1.14 0.00 0.00 176.83 176.54 2o4x h ALA 860 N 1.07 0.84 -0.29 3.77 0.00 -1.00 -2.15 119.26 121.49 2o4x h ALA 860 Ca 0.17 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2o4x h ALA 860 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2o4x h ALA 860 CO -0.02 0.46 0.14 0.87 0.00 0.00 0.00 179.25 180.69 2o4x h LYS 861 N 0.91 0.28 -0.86 0.00 1.57 -1.01 -0.89 116.57 116.57 2o4x h LYS 861 Ca 0.21 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2o4x h LYS 861 Cb 0.21 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2o4x h LYS 861 CO -0.02 0.19 0.47 0.77 -0.57 0.00 0.00 179.45 180.30 2o4x h SER 862 N 0.29 1.07 0.54 0.86 0.02 -1.18 -1.13 113.55 114.02 2o4x h SER 862 Ca 0.12 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2o4x h SER 862 Cb 0.04 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.31 2o4x h SER 862 CO -0.09 0.86 0.00 0.00 -1.14 0.00 0.00 176.83 176.46 2o4x n ALA 863 N -2.39 2.33 -3.74 3.77 0.00 -0.82 -4.93 120.51 114.74 2o4x n ALA 863 Ca 0.09 -0.12 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 2o4x n ALA 863 Cb 0.09 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.14 2o4x n ALA 863 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2o4x n ARG 864 N -1.31 -5.27 -3.38 0.00 1.74 -0.39 -4.96 116.66 103.09 2o4x n ARG 864 Ca 0.12 0.63 -0.38 0.00 -0.77 0.00 0.00 57.85 57.45 2o4x n ARG 864 Cb 0.22 -5.31 -0.06 0.00 -1.02 0.00 0.00 32.46 26.29 2o4x n ARG 864 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2o4x s LEU 865 N -6.84 4.45 0.00 0.55 1.43 -0.91 -3.51 118.68 113.86 2o4x s LEU 865 Ca 0.19 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 2o4x s LEU 865 Cb -0.09 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.42 2o4x s LEU 865 CO 0.81 0.23 0.00 0.59 0.23 0.00 0.00 176.35 178.21 2o4x n ASN 866 N 2.22 0.00 0.12 2.29 4.13 -1.26 -0.24 115.26 122.52 2o4x n ASN 866 Ca -0.11 0.00 0.19 0.00 1.68 0.00 0.00 54.58 56.34 2o4x n ASN 866 Cb 0.52 0.00 0.77 0.00 -1.54 0.00 0.00 39.78 39.53 2o4x n ASN 866 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2o4x h LEU 867 N 0.00 0.00 -2.85 3.41 3.38 -1.21 -1.68 115.31 116.36 2o4x h LEU 867 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2o4x h LEU 867 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2o4x h LEU 867 CO 0.00 0.00 0.00 0.79 0.09 0.00 0.00 178.44 179.32 2o4x n TRP 868 N -3.83 1.03 -0.34 1.13 7.02 0.67 -4.57 117.44 118.55 2o4x n TRP 868 Ca 0.05 -0.53 0.14 0.00 -1.02 0.00 0.00 57.50 56.15 2o4x n TRP 868 Cb 0.50 -0.06 0.34 0.00 -2.42 0.00 0.00 31.31 29.67 2o4x n TRP 868 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 2o4x h ARG 869 N 3.99 0.62 -0.00 -0.99 2.43 -1.34 -3.39 114.38 115.70 2o4x h ARG 869 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2o4x h ARG 869 Cb 1.06 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2o4x h ARG 869 CO 0.05 0.41 0.00 0.66 -1.51 0.00 0.00 179.97 179.58