#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pit n GLN 670 N 0.00 -2.92 -1.14 0.00 -0.06 -1.26 -4.95 117.38 107.05 2pit n GLN 670 Ca 0.00 0.45 -0.29 0.00 -2.00 0.00 0.00 57.00 55.16 2pit n GLN 670 Cb 0.00 -4.49 0.20 0.00 -4.06 0.00 0.00 30.24 21.88 2pit n GLN 670 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2pit s PRO 671 N -6.30 -0.12 0.26 3.69 0.04 -1.26 -4.79 135.00 126.51 2pit s PRO 671 Ca 0.14 0.33 -0.02 0.00 0.04 0.00 0.00 61.00 61.49 2pit s PRO 671 Cb -0.05 -1.69 0.47 0.00 0.04 0.00 0.00 34.50 33.26 2pit s PRO 671 CO 0.87 -3.06 1.79 0.82 0.04 0.00 0.00 177.00 177.46 2pit h ILE 672 N -2.12 0.84 -0.52 0.56 1.08 -2.00 -2.08 117.51 113.27 2pit h ILE 672 Ca -0.52 -0.26 0.10 0.00 -0.39 0.00 0.00 64.86 63.79 2pit h ILE 672 Cb 1.32 0.03 -0.08 0.00 -3.07 0.00 0.00 36.82 35.03 2pit h ILE 672 CO 0.51 0.14 0.08 0.15 -0.69 0.00 0.00 178.15 178.34 2pit h PHE 673 N 0.74 0.12 -0.59 1.37 3.57 -2.00 -1.53 116.94 118.62 2pit h PHE 673 Ca 0.43 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.88 2pit h PHE 673 Cb 0.49 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 2pit h PHE 673 CO -0.07 -0.04 0.04 1.25 -2.23 0.00 0.00 178.31 177.26 2pit h LEU 674 N 0.21 0.99 -0.70 0.59 5.85 -1.73 -2.06 115.31 118.46 2pit h LEU 674 Ca 0.27 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.80 2pit h LEU 674 Cb 0.38 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 2pit h LEU 674 CO -0.37 1.03 0.32 0.78 -0.34 0.00 0.00 178.44 179.87 2pit h ASN 675 N 0.91 0.39 0.21 1.25 2.35 -0.93 -1.83 115.58 117.92 2pit h ASN 675 Ca 0.17 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2pit h ASN 675 Cb 0.50 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2pit h ASN 675 CO 0.02 0.21 -0.10 0.58 -1.65 0.00 0.00 177.43 176.49 2pit h VAL 676 N 0.54 0.85 -0.63 2.81 2.07 -0.88 -1.64 116.25 119.37 2pit h VAL 676 Ca 0.35 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.62 2pit h VAL 676 Cb 0.41 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 2pit h VAL 676 CO -0.30 0.08 0.29 -0.07 0.02 0.00 0.00 177.57 177.59 2pit h LEU 677 N -0.45 0.37 -1.15 2.57 3.38 -1.05 -0.68 115.31 118.30 2pit h LEU 677 Ca -0.03 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2pit h LEU 677 Cb 0.34 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2pit h LEU 677 CO 0.05 0.23 -0.18 -0.33 0.09 0.00 0.00 178.44 178.30 2pit h GLU 678 N 0.53 0.37 -0.05 1.13 5.08 -1.31 -2.79 114.58 117.54 2pit h GLU 678 Ca 0.30 -0.11 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 2pit h GLU 678 Cb 0.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2pit h GLU 678 CO -0.25 0.55 -0.79 0.00 -1.00 0.00 0.00 179.01 177.52 2pit h ALA 679 N 1.47 0.56 -0.02 3.43 0.00 -0.17 -3.29 119.26 121.25 2pit h ALA 679 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2pit h ALA 679 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2pit h ALA 679 CO 0.03 0.80 -0.11 0.44 0.00 0.00 0.00 179.25 180.41 2pit n ILE 680 N -3.79 0.00 -1.68 0.00 -5.35 -0.45 -4.95 119.36 103.15 2pit n ILE 680 Ca -0.04 -0.26 -0.46 0.00 -0.27 0.00 0.00 62.75 61.71 2pit n ILE 680 Cb 0.74 0.73 -0.04 0.00 -1.74 0.00 0.00 39.64 39.33 2pit n ILE 680 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2pit n GLU 681 N 0.15 2.32 -1.62 6.28 4.07 -1.06 -4.81 120.64 125.98 2pit n GLU 681 Ca 0.15 0.84 -0.37 0.00 -0.06 0.00 0.00 57.16 57.72 2pit n GLU 681 Cb 0.41 -2.68 0.06 0.00 -0.06 0.00 0.00 31.44 29.17 2pit n GLU 681 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2pit n PRO 682 N 5.41 0.86 -0.16 5.31 -0.02 -1.26 -5.02 135.00 140.12 2pit n PRO 682 Ca 0.20 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2pit n PRO 682 Cb 0.31 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2pit n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pit n GLY 683 N 1.27 0.31 3.74 -1.23 0.00 -1.26 -5.02 105.19 103.00 2pit n GLY 683 Ca 0.14 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 2pit n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pit s VAL 684 N 0.48 3.24 -0.10 1.61 1.01 -1.26 -5.03 120.40 120.35 2pit s VAL 684 Ca 0.00 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.07 2pit s VAL 684 Cb 0.00 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2pit s VAL 684 CO 0.00 0.19 -0.13 -0.69 0.00 0.00 0.00 175.10 174.46 2pit s VAL 685 N -0.25 1.36 0.29 2.92 1.01 -1.26 -5.14 120.40 119.33 2pit s VAL 685 Ca 0.53 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2pit s VAL 685 Cb -0.36 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 2pit s VAL 685 CO 0.40 0.41 0.56 0.00 0.00 0.00 0.00 175.10 176.47 2pit h ALA 687 N 1.67 0.57 0.00 0.00 0.00 -1.90 -3.46 119.26 116.15 2pit h ALA 687 Ca -0.48 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2pit h ALA 687 Cb 1.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2pit h ALA 687 CO 0.66 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.70 2pit n GLY 688 N 1.27 0.39 3.77 0.00 0.00 -1.26 -4.45 105.19 104.90 2pit n GLY 688 Ca -0.04 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 2pit n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pit s HIS 689 N -2.00 3.30 -0.68 1.61 5.04 -1.26 -4.99 115.29 116.32 2pit s HIS 689 Ca 0.00 1.64 -0.21 0.00 -1.54 0.00 0.00 55.06 54.95 2pit s HIS 689 Cb 0.00 -3.24 0.09 0.00 0.04 0.00 0.00 32.58 29.47 2pit s HIS 689 CO 0.00 -0.78 0.92 0.34 -2.34 0.00 0.00 174.74 172.88 2pit s ASP 690 N -1.27 6.24 0.00 9.88 -1.08 -1.26 -4.88 116.67 124.30 2pit s ASP 690 Ca 0.54 -1.25 0.24 0.00 -0.52 0.00 0.00 52.55 51.55 2pit s ASP 690 Cb -0.27 -2.39 1.37 0.00 -1.46 0.00 0.00 42.92 40.18 2pit s ASP 690 CO 0.34 -1.31 1.89 0.59 0.52 0.00 0.00 175.17 177.20 2pit n ASN 691 N 7.19 0.13 0.04 -0.34 3.02 -1.26 -3.22 115.26 120.82 2pit n ASN 691 Ca -0.02 -1.29 -0.02 0.00 -0.03 0.00 0.00 54.58 53.23 2pit n ASN 691 Cb 0.45 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.53 2pit n ASN 691 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2pit h ASN 692 N 0.19 0.00 -3.61 6.41 2.35 -2.01 -3.46 115.58 115.45 2pit h ASN 692 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 2pit h ASN 692 Cb 0.04 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 2pit h ASN 692 CO 0.00 0.68 0.12 -1.10 -1.65 0.00 0.00 177.43 175.48 2pit s GLN 693 N -2.85 4.24 0.42 0.81 -1.52 -1.20 -5.02 119.66 114.54 2pit s GLN 693 Ca -0.02 0.87 -0.26 0.00 -1.95 0.00 0.00 55.36 54.00 2pit s GLN 693 Cb 0.08 -2.82 -0.10 0.00 -0.22 0.00 0.00 33.01 29.96 2pit s GLN 693 CO 0.80 0.36 1.41 -2.30 -0.25 0.00 0.00 175.29 175.32 2pit n PRO 694 N 0.59 2.30 -1.72 2.91 -0.02 -1.26 -4.91 135.00 132.88 2pit n PRO 694 Ca -0.01 0.81 -0.38 0.00 -2.02 0.00 0.00 63.50 61.90 2pit n PRO 694 Cb 0.51 -2.58 0.05 0.00 -0.02 0.00 0.00 33.50 31.46 2pit n PRO 694 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2pit n ASP 695 N 0.10 2.22 -3.69 2.55 8.00 -1.26 -5.03 116.55 119.45 2pit n ASP 695 Ca 0.04 0.91 -0.14 0.00 0.71 0.00 0.00 54.79 56.31 2pit n ASP 695 Cb 0.40 -1.54 -0.08 0.00 -0.02 0.00 0.00 41.12 39.87 2pit n ASP 695 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2pit s SER 696 N -1.09 -0.43 0.17 -2.24 1.04 -1.26 -5.06 113.70 104.84 2pit s SER 696 Ca 0.75 0.63 -0.19 0.00 0.48 0.00 0.00 55.95 57.62 2pit s SER 696 Cb -0.41 0.67 0.10 0.00 0.10 0.00 0.00 66.02 66.48 2pit s SER 696 CO 0.46 -0.34 1.63 0.15 0.98 0.00 0.00 173.24 176.12 2pit h PHE 697 N 4.43 -0.55 -0.33 5.02 3.57 -1.96 -0.57 116.94 126.54 2pit h PHE 697 Ca -0.28 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.31 2pit h PHE 697 Cb 1.17 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 40.17 2pit h PHE 697 CO 0.44 -0.30 0.08 0.00 -2.23 0.00 0.00 178.31 176.30 2pit h ALA 698 N 1.11 0.36 -0.47 2.41 0.00 -1.87 -1.37 119.26 119.44 2pit h ALA 698 Ca 0.20 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2pit h ALA 698 Cb 0.45 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2pit h ALA 698 CO -0.50 -0.32 -0.02 0.00 0.00 0.00 0.00 179.25 178.41 2pit h ALA 699 N 1.23 0.63 -0.13 0.00 0.00 -1.76 -0.63 119.26 118.61 2pit h ALA 699 Ca 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2pit h ALA 699 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2pit h ALA 699 CO -0.18 0.45 0.05 -0.07 0.00 0.00 0.00 179.25 179.50 2pit h LEU 700 N 0.69 0.18 -0.53 0.00 3.38 -0.94 -1.19 115.31 116.90 2pit h LEU 700 Ca 0.13 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 2pit h LEU 700 Cb 0.54 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2pit h LEU 700 CO 0.03 0.30 -0.31 -0.07 0.09 0.00 0.00 178.44 178.47 2pit h LEU 701 N 0.04 0.90 -0.66 1.67 -0.00 -1.26 -0.95 115.31 115.05 2pit h LEU 701 Ca 0.04 -0.37 -0.01 0.00 -0.00 0.00 0.00 57.88 57.54 2pit h LEU 701 Cb 0.18 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.56 2pit h LEU 701 CO -0.00 1.14 0.39 0.28 -0.00 0.00 0.00 178.44 180.24 2pit h SER 702 N 0.72 0.80 -0.50 -0.43 0.02 -1.06 0.14 113.55 113.23 2pit h SER 702 Ca 0.08 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 2pit h SER 702 Cb 0.87 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 2pit h SER 702 CO 0.08 0.63 0.03 0.28 -1.14 0.00 0.00 176.83 176.71 2pit h SER 703 N 0.89 0.88 -0.59 3.07 0.02 -1.03 -0.43 113.55 116.37 2pit h SER 703 Ca 0.24 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 2pit h SER 703 Cb -0.01 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 2pit h SER 703 CO -0.04 0.93 0.09 -0.07 -1.14 0.00 0.00 176.83 176.59 2pit h LEU 704 N 0.85 0.97 -0.59 5.07 3.38 -0.56 0.25 115.31 124.69 2pit h LEU 704 Ca 0.16 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2pit h LEU 704 Cb 0.47 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2pit h LEU 704 CO 0.02 0.98 -0.00 0.78 0.09 0.00 0.00 178.44 180.30 2pit h ASN 705 N 0.95 1.02 -0.60 -0.43 2.35 -0.33 0.14 115.58 118.68 2pit h ASN 705 Ca 0.19 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 2pit h ASN 705 Cb 0.43 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 2pit h ASN 705 CO 0.01 1.08 0.01 -0.08 -1.65 0.00 0.00 177.43 176.80 2pit h GLU 706 N 0.93 1.06 -0.66 0.81 4.57 -0.80 -1.58 114.58 118.91 2pit h GLU 706 Ca 0.17 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 2pit h GLU 706 Cb 0.56 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 2pit h GLU 706 CO 0.03 1.03 0.35 1.25 -1.18 0.00 0.00 179.01 180.49 2pit h LEU 707 N 0.97 0.83 -0.66 1.64 5.85 -0.63 -0.79 115.31 122.52 2pit h LEU 707 Ca 0.17 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2pit h LEU 707 Cb 0.54 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2pit h LEU 707 CO 0.03 0.69 0.42 1.23 -0.34 0.00 0.00 178.44 180.47 2pit h GLY 708 N 0.90 0.95 0.94 3.75 0.00 -0.51 0.17 103.07 109.27 2pit h GLY 708 Ca 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2pit h GLY 708 CO -0.04 0.29 0.15 -2.09 0.00 0.00 0.00 176.54 174.85 2pit h GLU 709 N 0.84 0.43 -0.40 4.80 4.57 -0.89 0.29 114.58 124.22 2pit h GLU 709 Ca 0.26 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 2pit h GLU 709 Cb -0.02 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2pit h GLU 709 CO -0.09 0.40 0.13 0.00 -1.18 0.00 0.00 179.01 178.28 2pit h ARG 710 N 0.36 0.62 -0.24 1.92 3.08 -0.73 -2.72 114.38 116.67 2pit h ARG 710 Ca 0.10 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2pit h ARG 710 Cb 0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2pit h ARG 710 CO -0.01 0.61 -0.09 1.96 -1.07 0.00 0.00 179.97 181.37 2pit h GLN 711 N 0.51 0.38 -0.92 0.04 1.08 -0.54 -2.71 115.11 112.96 2pit h GLN 711 Ca 0.13 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2pit h GLN 711 Cb 0.24 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 2pit h GLN 711 CO -0.01 0.49 0.53 1.25 -0.95 0.00 0.00 178.83 180.14 2pit h LEU 712 N 0.36 1.13 -0.74 1.46 5.85 -0.62 0.13 115.31 122.88 2pit h LEU 712 Ca 0.07 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.72 2pit h LEU 712 Cb 0.39 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2pit h LEU 712 CO 0.02 0.88 0.49 0.58 -0.34 0.00 0.00 178.44 180.07 2pit h VAL 713 N 1.28 1.18 -0.40 1.05 2.07 -1.32 -0.49 116.25 119.61 2pit h VAL 713 Ca 0.33 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 2pit h VAL 713 Cb -0.02 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2pit h VAL 713 CO -0.06 0.18 -0.17 0.45 0.02 0.00 0.00 177.57 177.99 2pit h HIS 714 N 0.99 0.95 -0.86 1.57 3.86 -1.28 -2.58 115.15 117.80 2pit h HIS 714 Ca 0.27 -0.23 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2pit h HIS 714 Cb -0.10 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.10 2pit h HIS 714 CO -0.02 0.99 0.56 0.28 0.86 0.00 0.00 177.93 180.60 2pit h VAL 715 N 0.64 1.19 -0.27 2.45 2.07 -0.32 0.11 116.25 122.11 2pit h VAL 715 Ca 0.09 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2pit h VAL 715 Cb 0.73 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2pit h VAL 715 CO 0.05 0.21 0.12 0.58 0.02 0.00 0.00 177.57 178.55 2pit h VAL 716 N 1.13 1.16 -0.67 2.57 2.07 -1.01 0.46 116.25 121.96 2pit h VAL 716 Ca 0.33 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2pit h VAL 716 Cb -0.07 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2pit h VAL 716 CO -0.09 0.16 0.23 0.11 0.02 0.00 0.00 177.57 178.01 2pit h LYS 717 N 0.30 1.03 0.03 1.57 1.57 -1.06 -2.13 116.57 117.88 2pit h LYS 717 Ca 0.09 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2pit h LYS 717 Cb 0.15 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2pit h LYS 717 CO -0.01 0.89 -0.02 2.35 -0.57 0.00 0.00 179.45 182.09 2pit h TRP 718 N 0.97 -0.04 -0.82 -1.35 7.01 -0.60 -2.93 115.95 118.20 2pit h TRP 718 Ca 0.22 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 2pit h TRP 718 Cb 0.27 0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.30 2pit h TRP 718 CO 0.02 0.01 0.46 0.00 -2.79 0.00 0.00 178.44 176.14 2pit h ALA 719 N 0.88 1.05 0.00 2.65 0.00 -0.79 -1.87 119.26 121.17 2pit h ALA 719 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2pit h ALA 719 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2pit h ALA 719 CO 0.01 0.55 0.00 0.87 0.00 0.00 0.00 179.25 180.67 2pit h LYS 720 N 1.13 0.00 -0.02 0.00 1.57 -1.34 -1.66 116.57 116.25 2pit h LYS 720 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2pit h LYS 720 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2pit h LYS 720 CO -0.05 0.00 -0.17 0.00 -0.57 0.00 0.00 179.45 178.66 2pit n ALA 721 N -1.88 2.88 -1.76 3.86 0.00 -0.72 -4.61 120.51 118.27 2pit n ALA 721 Ca 0.01 -0.58 -0.39 0.00 0.00 0.00 0.00 53.44 52.48 2pit n ALA 721 Cb 0.19 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 2pit n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pit s LEU 722 N -2.21 4.46 0.00 0.00 1.43 -0.63 -4.94 118.68 116.80 2pit s LEU 722 Ca 0.27 2.20 -0.36 0.00 -1.03 0.00 0.00 54.13 55.22 2pit s LEU 722 Cb 0.20 -3.76 -0.14 0.00 0.03 0.00 0.00 46.19 42.51 2pit s LEU 722 CO 0.42 -0.22 1.64 -2.65 0.23 0.00 0.00 176.35 175.77 2pit n PRO 723 N 0.89 1.79 -0.15 1.29 -0.02 -1.26 -1.84 135.00 135.70 2pit n PRO 723 Ca 0.00 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2pit n PRO 723 Cb 0.46 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2pit n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pit n GLY 724 N 3.64 2.09 0.31 -1.23 0.00 -1.26 -4.89 105.19 103.84 2pit n GLY 724 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 2pit n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pit h PHE 725 N 0.00 0.96 0.00 1.61 3.57 -1.64 -1.86 116.94 119.58 2pit h PHE 725 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2pit h PHE 725 Cb 0.00 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.42 2pit h PHE 725 CO 0.00 0.54 0.00 0.54 -2.23 0.00 0.00 178.31 177.16 2pit n ARG 726 N -4.60 0.18 0.15 1.11 1.74 -1.26 -1.93 116.66 112.05 2pit n ARG 726 Ca 0.10 0.17 0.08 0.00 -0.77 0.00 0.00 57.85 57.43 2pit n ARG 726 Cb 0.10 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.11 2pit n ARG 726 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2pit h ASN 727 N 0.00 0.00 -4.17 0.55 4.21 -1.73 -3.46 115.58 110.98 2pit h ASN 727 Ca 0.00 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 57.00 2pit h ASN 727 Cb 0.11 0.00 0.11 0.00 -1.12 0.00 0.00 38.32 37.41 2pit h ASN 727 CO 0.00 0.17 0.39 -0.76 -1.29 0.00 0.00 177.43 175.95 2pit s LEU 728 N -6.00 3.46 0.45 1.61 1.43 -0.81 -4.94 118.68 113.88 2pit s LEU 728 Ca 0.03 2.11 -0.25 0.00 -1.03 0.00 0.00 54.13 55.00 2pit s LEU 728 Cb 0.07 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.64 2pit s LEU 728 CO 0.73 -1.65 1.28 1.57 0.23 0.00 0.00 176.35 178.51 2pit n HIS 729 N -2.20 2.13 -0.17 0.29 -0.00 -1.26 -4.73 115.22 109.27 2pit n HIS 729 Ca 0.11 0.48 0.14 0.00 -0.00 0.00 0.00 57.72 58.45 2pit n HIS 729 Cb 0.51 -2.37 0.47 0.00 -0.00 0.00 0.00 29.99 28.61 2pit n HIS 729 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 2pit h VAL 730 N 1.94 0.83 0.00 3.57 3.04 -1.91 0.34 116.25 124.05 2pit h VAL 730 Ca -0.48 -0.17 -0.12 0.00 -1.01 0.00 0.00 66.70 64.92 2pit h VAL 730 Cb 1.30 0.31 -0.02 0.00 -2.01 0.00 0.00 31.29 30.87 2pit h VAL 730 CO 0.59 0.09 -0.59 0.44 -1.01 0.00 0.00 177.57 177.09 2pit h ASP 731 N 0.48 0.00 0.55 3.17 3.32 -2.00 -2.68 116.42 119.26 2pit h ASP 731 Ca 0.37 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.22 2pit h ASP 731 Cb 0.75 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 2pit h ASP 731 CO -0.13 0.59 -0.85 0.44 -1.72 0.00 0.00 179.24 177.57 2pit h ASP 732 N 0.00 0.26 0.01 6.45 3.32 -1.33 -1.77 116.42 123.36 2pit h ASP 732 Ca -0.01 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2pit h ASP 732 Cb 1.07 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2pit h ASP 732 CO 0.08 0.99 -0.01 1.56 -1.72 0.00 0.00 179.24 180.14 2pit h GLN 733 N 0.12 -0.02 -0.68 3.56 4.20 -0.97 -0.48 115.11 120.83 2pit h GLN 733 Ca -0.04 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2pit h GLN 733 Cb 1.46 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.22 2pit h GLN 733 CO 0.13 0.09 0.15 1.98 -0.67 0.00 0.00 178.83 180.51 2pit h MET 734 N -0.12 1.09 0.08 1.46 4.05 -1.49 -2.80 114.93 117.20 2pit h MET 734 Ca -0.00 -0.26 -0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2pit h MET 734 Cb 0.11 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2pit h MET 734 CO 0.00 0.97 -0.04 0.00 0.23 0.00 0.00 176.91 178.08 2pit h ALA 735 N 1.12 -0.10 -0.35 0.39 0.00 -1.10 -0.91 119.26 118.32 2pit h ALA 735 Ca 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2pit h ALA 735 Cb 0.38 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2pit h ALA 735 CO 0.00 -0.50 0.11 -0.39 0.00 0.00 0.00 179.25 178.48 2pit h VAL 736 N -0.22 1.15 -0.26 0.00 -1.51 -1.06 -1.13 116.25 113.21 2pit h VAL 736 Ca -0.01 -0.51 -0.09 0.00 -1.23 0.00 0.00 66.70 64.87 2pit h VAL 736 Cb 0.19 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 2pit h VAL 736 CO 0.02 0.19 -0.17 0.40 -1.23 0.00 0.00 177.57 176.77 2pit h ILE 737 N 0.50 1.30 0.00 7.19 2.04 -1.35 -0.66 117.51 126.54 2pit h ILE 737 Ca 0.12 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 2pit h ILE 737 Cb 0.15 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2pit h ILE 737 CO -0.01 0.41 -0.18 1.56 0.00 0.00 0.00 178.15 179.93 2pit h GLN 738 N 0.31 0.00 0.04 2.37 4.20 -0.59 -2.10 115.11 119.34 2pit h GLN 738 Ca 0.05 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.44 2pit h GLN 738 Cb 0.71 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 2pit h GLN 738 CO 0.05 0.18 -1.87 0.66 -0.67 0.00 0.00 178.83 177.17 2pit n TYR 739 N -3.99 1.01 1.02 2.96 4.01 -0.48 -4.52 117.16 117.18 2pit n TYR 739 Ca -0.02 0.30 0.11 0.00 -0.16 0.00 0.00 57.90 58.13 2pit n TYR 739 Cb 0.26 -1.16 0.07 0.00 -0.31 0.00 0.00 39.34 38.19 2pit n TYR 739 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2pit n SER 740 N -3.19 0.95 -0.33 7.72 3.41 -0.26 -4.54 113.62 117.38 2pit n SER 740 Ca -0.24 -0.80 0.11 0.00 -0.26 0.00 0.00 58.87 57.68 2pit n SER 740 Cb 1.05 0.60 0.31 0.00 -0.26 0.00 0.00 64.21 65.92 2pit n SER 740 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2pit h TRP 741 N 0.40 1.01 0.03 7.33 5.08 -1.60 -1.50 115.95 126.70 2pit h TRP 741 Ca 0.00 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.00 2pit h TRP 741 Cb 0.53 -0.31 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 2pit h TRP 741 CO 0.00 0.34 -0.01 1.98 -1.28 0.00 0.00 178.44 179.46 2pit h MET 742 N 0.82 -0.04 -0.65 0.12 4.05 -1.88 -0.31 114.93 117.04 2pit h MET 742 Ca 0.51 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.90 2pit h MET 742 Cb 0.70 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.48 2pit h MET 742 CO -0.28 0.08 0.31 0.78 0.23 0.00 0.00 176.91 178.04 2pit h GLY 743 N -0.15 1.00 0.91 1.39 0.00 -1.77 -0.93 103.07 103.52 2pit h GLY 743 Ca -0.00 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.84 2pit h GLY 743 CO 0.01 0.48 0.13 1.41 0.00 0.00 0.00 176.54 178.57 2pit h LEU 744 N 0.90 0.21 -0.62 3.11 3.38 -1.14 -1.13 115.31 120.02 2pit h LEU 744 Ca 0.22 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 2pit h LEU 744 Cb 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2pit h LEU 744 CO -0.03 0.16 -0.26 0.24 0.09 0.00 0.00 178.44 178.63 2pit h MET 745 N 0.28 0.80 -0.48 1.13 2.86 -0.85 -1.77 114.93 116.91 2pit h MET 745 Ca 0.10 -0.35 -0.13 0.00 -2.06 0.00 0.00 59.70 57.27 2pit h MET 745 Cb 0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2pit h MET 745 CO -0.06 0.97 -0.20 0.28 1.06 0.00 0.00 176.91 178.96 2pit h VAL 746 N 0.69 1.27 -0.32 -2.22 2.07 -1.07 -0.74 116.25 115.93 2pit h VAL 746 Ca 0.09 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 2pit h VAL 746 Cb 0.79 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2pit h VAL 746 CO 0.07 0.47 0.10 0.15 0.02 0.00 0.00 177.57 178.38 2pit h PHE 747 N 0.83 0.52 -0.50 1.57 3.57 -1.11 0.69 116.94 122.51 2pit h PHE 747 Ca 0.11 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 2pit h PHE 747 Cb 0.78 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2pit h PHE 747 CO 0.05 0.52 0.01 0.00 -2.23 0.00 0.00 178.31 176.67 2pit h ALA 748 N 0.94 1.08 -0.56 2.41 0.00 -1.26 -1.93 119.26 119.93 2pit h ALA 748 Ca 0.11 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2pit h ALA 748 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2pit h ALA 748 CO -0.00 0.58 0.07 1.98 0.00 0.00 0.00 179.25 181.88 2pit h MET 749 N 0.78 0.95 -0.79 0.00 1.85 -0.79 -0.54 114.93 116.39 2pit h MET 749 Ca 0.15 -0.27 0.00 0.00 -0.61 0.00 0.00 59.70 58.98 2pit h MET 749 Cb 0.45 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.34 2pit h MET 749 CO 0.02 0.92 0.50 0.78 -0.40 0.00 0.00 176.91 178.73 2pit h GLY 750 N 0.84 1.12 0.77 1.39 0.00 -0.51 -0.31 103.07 106.37 2pit h GLY 750 Ca 0.17 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 2pit h GLY 750 CO 0.02 0.42 -0.07 -0.25 0.00 0.00 0.00 176.54 176.66 2pit h TRP 751 N 1.07 0.40 -0.95 5.60 2.91 -0.87 -1.95 115.95 122.17 2pit h TRP 751 Ca 0.29 -0.09 0.03 0.00 1.13 0.00 0.00 58.89 60.24 2pit h TRP 751 Cb -0.09 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 28.41 2pit h TRP 751 CO 0.00 0.65 0.62 0.00 -1.03 0.00 0.00 178.44 178.67 2pit h ARG 752 N 0.04 1.17 -0.48 2.65 3.08 -0.72 -1.27 114.38 118.85 2pit h ARG 752 Ca 0.04 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2pit h ARG 752 Cb 0.53 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2pit h ARG 752 CO 0.02 0.77 0.07 0.77 -1.07 0.00 0.00 179.97 180.54 2pit h SER 753 N 1.20 0.76 -0.14 7.04 0.02 -0.99 0.40 113.55 121.84 2pit h SER 753 Ca 0.37 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2pit h SER 753 Cb -0.01 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2pit h SER 753 CO -0.12 0.83 0.03 0.15 -1.14 0.00 0.00 176.83 176.58 2pit h PHE 754 N 0.66 0.25 -0.03 3.45 3.57 -0.92 -0.70 116.94 123.21 2pit h PHE 754 Ca 0.14 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.45 2pit h PHE 754 Cb 0.40 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2pit h PHE 754 CO 0.03 0.40 -0.71 1.79 -2.23 0.00 0.00 178.31 177.59 2pit h THR 755 N 0.02 1.45 0.05 4.41 1.35 -1.23 -2.08 112.91 116.89 2pit h THR 755 Ca 0.04 -2.27 -0.24 0.00 -0.55 0.00 0.00 66.41 63.39 2pit h THR 755 Cb 0.28 2.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 2pit h THR 755 CO 0.00 0.66 -1.30 0.78 -0.25 0.00 0.00 175.52 175.41 2pit h ASN 756 N 0.10 0.18 0.00 5.36 2.35 -0.93 -3.42 115.58 119.23 2pit h ASN 756 Ca -0.02 -0.73 -0.00 0.00 -0.55 0.00 0.00 56.30 55.00 2pit h ASN 756 Cb 1.25 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 2pit h ASN 756 CO 0.10 1.54 -0.18 1.33 -1.65 0.00 0.00 177.43 178.58 2pit n VAL 757 N -4.15 1.44 -4.01 2.81 0.24 -0.36 -4.99 118.33 109.31 2pit n VAL 757 Ca -0.28 -1.81 -0.32 0.00 -2.04 0.00 0.00 64.34 59.90 2pit n VAL 757 Cb 0.79 -0.04 0.01 0.00 -1.47 0.00 0.00 33.84 33.13 2pit n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2pit n ASN 758 N -1.04 -4.22 -0.16 -1.34 5.15 -0.78 -0.93 115.26 111.94 2pit n ASN 758 Ca 0.12 -0.85 -0.02 0.00 -0.60 0.00 0.00 54.58 53.23 2pit n ASN 758 Cb 0.67 -3.53 -0.01 0.00 -0.53 0.00 0.00 39.78 36.38 2pit n ASN 758 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2pit n SER 759 N -2.79 -5.26 0.05 1.20 7.64 -0.67 -4.85 113.62 108.94 2pit n SER 759 Ca 0.04 0.05 -0.01 0.00 1.01 0.00 0.00 58.87 59.96 2pit n SER 759 Cb 0.52 -2.94 0.26 0.00 -1.01 0.00 0.00 64.21 61.04 2pit n SER 759 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2pit h ARG 760 N 0.20 0.40 -4.42 1.43 3.08 -1.29 -3.45 114.38 110.32 2pit h ARG 760 Ca -0.04 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 59.68 2pit h ARG 760 Cb 0.80 -0.03 -0.15 0.00 0.08 0.00 0.00 29.97 30.67 2pit h ARG 760 CO 0.06 0.59 -0.60 -1.64 -1.07 0.00 0.00 179.97 177.31 2pit s MET 761 N -4.56 1.05 -0.42 0.04 -1.94 -1.26 -4.87 119.30 107.35 2pit s MET 761 Ca -0.06 -1.48 -0.20 0.00 -1.71 0.00 0.00 55.69 52.24 2pit s MET 761 Cb 0.14 0.27 0.02 0.00 2.01 0.00 0.00 34.83 37.27 2pit s MET 761 CO 0.77 -0.33 0.58 -0.51 -0.01 0.00 0.00 175.02 175.53 2pit s LEU 762 N -3.08 4.53 -1.27 -0.03 1.43 -0.71 -4.79 118.68 114.76 2pit s LEU 762 Ca 0.29 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.94 2pit s LEU 762 Cb 0.07 -2.65 0.15 0.00 0.03 0.00 0.00 46.19 43.79 2pit s LEU 762 CO 0.05 -0.68 1.71 0.00 0.23 0.00 0.00 176.35 177.66 2pit n TYR 763 N 6.05 4.04 -0.08 0.29 4.19 -1.26 -0.94 117.16 129.45 2pit n TYR 763 Ca -0.03 -3.05 -0.11 0.00 3.31 0.00 0.00 57.90 58.02 2pit n TYR 763 Cb 0.48 -2.19 -0.04 0.00 0.49 0.00 0.00 39.34 38.08 2pit n TYR 763 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 2pit h PHE 764 N 6.56 0.42 -3.28 2.98 0.04 -1.82 -3.41 116.94 118.42 2pit h PHE 764 Ca 0.39 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 61.07 2pit h PHE 764 Cb 0.76 -0.12 -0.12 0.00 2.20 0.00 0.00 35.95 38.67 2pit h PHE 764 CO 1.23 0.49 0.01 0.00 -0.60 0.00 0.00 178.31 179.45 2pit s ALA 765 N -5.27 -1.11 0.48 2.45 0.00 -0.91 -4.98 121.76 112.42 2pit s ALA 765 Ca -0.14 0.07 0.21 0.00 0.00 0.00 0.00 51.96 52.10 2pit s ALA 765 Cb 0.08 0.76 1.22 0.00 0.00 0.00 0.00 23.12 25.18 2pit s ALA 765 CO 0.73 -0.69 1.95 -1.35 0.00 0.00 0.00 175.76 176.39 2pit h PRO 766 N 2.25 0.21 -0.52 0.00 0.11 -1.90 0.36 132.00 132.51 2pit h PRO 766 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2pit h PRO 766 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2pit h PRO 766 CO 0.43 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 2pit n ASP 767 N -4.42 4.79 -3.01 -2.05 5.75 -1.26 -4.67 116.55 111.68 2pit n ASP 767 Ca 0.13 -2.70 -0.13 0.00 -0.01 0.00 0.00 54.79 52.08 2pit n ASP 767 Cb 0.60 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 2pit n ASP 767 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2pit s LEU 768 N -2.30 -0.35 -0.15 -2.12 2.96 0.12 -4.39 118.68 112.44 2pit s LEU 768 Ca 0.49 -2.24 -0.03 0.00 -0.22 0.00 0.00 54.13 52.13 2pit s LEU 768 Cb 0.35 1.00 -0.02 0.00 0.50 0.00 0.00 46.19 48.01 2pit s LEU 768 CO 0.18 -0.10 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.36 2pit s VAL 769 N 0.57 3.63 -0.28 1.68 1.01 -1.24 -2.15 120.40 123.61 2pit s VAL 769 Ca 0.31 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 2pit s VAL 769 Cb 0.01 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2pit s VAL 769 CO -0.11 0.50 0.25 -0.36 0.00 0.00 0.00 175.10 175.38 2pit s PHE 770 N 0.39 3.23 0.64 5.22 0.40 -0.11 -4.94 117.98 122.81 2pit s PHE 770 Ca -0.06 0.18 0.06 0.00 -0.60 0.00 0.00 56.93 56.51 2pit s PHE 770 Cb -0.15 -2.45 0.11 0.00 0.51 0.00 0.00 43.02 41.05 2pit s PHE 770 CO 0.04 -0.20 0.89 0.54 0.70 0.00 0.00 175.22 177.19 2pit s ASN 771 N 1.72 4.75 0.29 1.36 2.20 -1.26 -1.73 114.94 122.27 2pit s ASN 771 Ca 0.09 -0.71 0.02 0.00 -0.94 0.00 0.00 52.86 51.33 2pit s ASN 771 Cb -0.16 0.27 0.59 0.00 -2.00 0.00 0.00 41.25 39.95 2pit s ASN 771 CO 0.11 -1.60 1.85 -0.33 -2.94 0.00 0.00 177.10 174.19 2pit h GLU 772 N -0.13 0.93 -0.32 3.55 4.39 -1.98 -1.49 114.58 119.53 2pit h GLU 772 Ca -0.31 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.35 2pit h GLU 772 Cb 1.28 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 2pit h GLU 772 CO 0.40 0.62 0.15 -0.92 -1.16 0.00 0.00 179.01 178.09 2pit h TYR 773 N 0.96 0.27 -0.26 4.33 3.20 -2.00 -1.63 116.97 121.85 2pit h TYR 773 Ca 0.48 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.26 2pit h TYR 773 Cb 0.49 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2pit h TYR 773 CO -0.00 0.14 -0.26 0.00 -1.64 0.00 0.00 178.16 176.40 2pit h ARG 774 N 0.31 0.49 -0.67 1.82 3.08 -1.75 0.58 114.38 118.25 2pit h ARG 774 Ca 0.14 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.04 2pit h ARG 774 Cb 0.06 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2pit h ARG 774 CO -0.10 0.72 0.44 0.52 -1.07 0.00 0.00 179.97 180.47 2pit h MET 775 N 0.44 0.74 -0.00 0.04 2.86 -0.77 0.16 114.93 118.39 2pit h MET 775 Ca 0.06 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2pit h MET 775 Cb 0.69 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2pit h MET 775 CO 0.05 0.49 -0.19 1.25 1.06 0.00 0.00 176.91 179.57 2pit h HIS 776 N 0.76 0.20 -0.14 -0.22 -0.00 -0.63 -2.93 115.15 112.19 2pit h HIS 776 Ca 0.27 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 2pit h HIS 776 Cb 0.12 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 2pit h HIS 776 CO -0.00 0.91 0.09 -0.22 -0.00 0.00 0.00 177.93 178.71 2pit h LYS 777 N -0.57 0.19 0.00 5.26 1.63 -0.52 -1.46 116.57 121.10 2pit h LYS 777 Ca -0.02 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2pit h LYS 777 Cb 0.96 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 2pit h LYS 777 CO 0.04 0.12 0.00 -1.13 -3.45 0.00 0.00 179.45 175.03 2pit n SER 778 N -4.52 0.16 -0.97 4.20 3.41 0.51 -4.14 113.62 112.28 2pit n SER 778 Ca -0.01 0.54 -0.13 0.00 -0.26 0.00 0.00 58.87 59.01 2pit n SER 778 Cb 0.08 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.40 2pit n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pit n ARG 779 N -1.67 -1.21 -2.62 4.33 1.74 -0.55 -4.84 116.66 111.83 2pit n ARG 779 Ca 0.04 0.92 -0.13 0.00 -0.77 0.00 0.00 57.85 57.91 2pit n ARG 779 Cb 0.21 -5.09 0.02 0.00 -1.02 0.00 0.00 32.46 26.58 2pit n ARG 779 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pit n MET 780 N -1.96 1.75 0.08 5.56 0.00 -1.24 -4.93 117.12 116.37 2pit n MET 780 Ca -0.13 -3.57 -0.13 0.00 0.00 0.00 0.00 57.70 53.88 2pit n MET 780 Cb 0.50 -1.52 -0.07 0.00 0.00 0.00 0.00 33.22 32.13 2pit n MET 780 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2pit h TYR 781 N 2.86 -0.10 -0.78 3.17 5.03 -1.82 -1.29 116.97 124.03 2pit h TYR 781 Ca -0.00 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.35 2pit h TYR 781 Cb 1.14 0.04 -0.06 0.00 1.55 0.00 0.00 36.73 39.40 2pit h TYR 781 CO 0.58 -0.07 0.48 0.66 -1.32 0.00 0.00 178.16 178.49 2pit h SER 782 N -0.11 0.76 -0.64 -2.11 4.64 -1.91 -0.07 113.55 114.10 2pit h SER 782 Ca -0.01 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.27 2pit h SER 782 Cb 0.09 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 2pit h SER 782 CO 0.01 0.50 0.19 1.56 -0.87 0.00 0.00 176.83 178.22 2pit h GLN 783 N 0.90 1.03 -0.18 4.77 7.50 -1.91 -1.87 115.11 125.34 2pit h GLN 783 Ca 0.34 -0.22 -0.07 0.00 0.50 0.00 0.00 58.65 59.19 2pit h GLN 783 Cb 0.13 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.49 2pit h GLN 783 CO -0.16 0.90 -0.20 0.00 -1.50 0.00 0.00 178.83 177.87 2pit h VAL 785 N 0.29 1.11 -0.86 0.00 2.07 -0.25 0.21 116.25 118.82 2pit h VAL 785 Ca 0.05 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2pit h VAL 785 Cb 0.53 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2pit h VAL 785 CO 0.04 0.10 0.50 0.03 0.02 0.00 0.00 177.57 178.25 2pit h ARG 786 N 0.08 1.18 -0.55 1.57 3.08 -1.16 0.97 114.38 119.54 2pit h ARG 786 Ca 0.04 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 2pit h ARG 786 Cb 0.10 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2pit h ARG 786 CO -0.01 0.84 0.01 0.52 -1.07 0.00 0.00 179.97 180.27 2pit h MET 787 N 1.19 0.94 -0.11 0.04 2.86 -0.92 0.24 114.93 119.17 2pit h MET 787 Ca 0.31 -0.28 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 2pit h MET 787 Cb -0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 2pit h MET 787 CO -0.05 0.93 -0.45 -0.09 1.06 0.00 0.00 176.91 178.31 2pit h ARG 788 N 0.87 0.27 -0.51 1.72 2.43 -0.07 -1.44 114.38 117.65 2pit h ARG 788 Ca 0.16 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2pit h ARG 788 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2pit h ARG 788 CO 0.02 0.67 0.11 1.25 -1.51 0.00 0.00 179.97 180.51 2pit h HIS 789 N 0.22 0.86 -0.76 2.20 2.76 -0.17 -1.25 115.15 119.01 2pit h HIS 789 Ca 0.02 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2pit h HIS 789 Cb 0.88 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.56 2pit h HIS 789 CO 0.02 0.77 0.49 1.25 -1.30 0.00 0.00 177.93 179.15 2pit h LEU 790 N 0.70 0.89 -1.03 0.26 5.85 -0.63 -1.92 115.31 119.43 2pit h LEU 790 Ca 0.16 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2pit h LEU 790 Cb 0.35 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2pit h LEU 790 CO 0.00 0.66 0.65 -1.28 -0.34 0.00 0.00 178.44 178.13 2pit h SER 791 N 1.03 1.11 -0.00 1.25 0.87 -0.82 -2.06 113.55 114.93 2pit h SER 791 Ca 0.28 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.74 2pit h SER 791 Cb -0.09 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.59 2pit h SER 791 CO -0.06 0.78 -0.20 1.56 -0.53 0.00 0.00 176.83 178.39 2pit h GLN 792 N 1.30 0.36 -0.36 2.24 4.20 -0.50 -2.74 115.11 119.61 2pit h GLN 792 Ca 0.38 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 59.02 2pit h GLN 792 Cb -0.08 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2pit h GLN 792 CO -0.10 0.55 0.25 0.93 -0.67 0.00 0.00 178.83 179.78 2pit h GLU 793 N 0.33 0.31 0.00 1.46 4.39 -0.70 0.13 114.58 120.50 2pit h GLU 793 Ca 0.06 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2pit h GLU 793 Cb 0.54 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2pit h GLU 793 CO 0.04 0.21 -0.05 0.74 -1.16 0.00 0.00 179.01 178.78 2pit h PHE 794 N 0.32 0.00 0.03 4.33 0.04 -1.49 0.14 116.94 120.31 2pit h PHE 794 Ca 0.15 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.72 2pit h PHE 794 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 2pit h PHE 794 CO -0.00 0.05 -1.11 0.78 -0.60 0.00 0.00 178.31 177.43 2pit h GLY 795 N 0.18 0.08 1.54 -1.45 0.00 -0.97 -2.15 103.07 100.29 2pit h GLY 795 Ca -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.19 2pit h GLY 795 CO 0.01 0.17 0.19 1.49 0.00 0.00 0.00 176.54 178.40 2pit h TRP 796 N -0.79 0.14 -0.02 5.60 6.55 -0.77 -1.62 115.95 125.03 2pit h TRP 796 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 2pit h TRP 796 Cb 1.39 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 29.64 2pit h TRP 796 CO 0.14 0.08 -0.18 1.28 -1.05 0.00 0.00 178.44 178.70 2pit n LEU 797 N -4.48 2.50 -3.79 -4.49 4.77 0.01 -4.98 117.00 106.54 2pit n LEU 797 Ca 0.03 -0.86 -0.24 0.00 -0.03 0.00 0.00 56.01 54.91 2pit n LEU 797 Cb 0.25 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2pit n LEU 797 CO 0.35 0.43 -0.03 0.00 -1.33 0.00 0.00 177.39 176.81 2pit n GLN 798 N 0.72 -4.93 -2.01 3.23 6.02 -0.61 -4.90 117.38 114.90 2pit n GLN 798 Ca 0.12 0.59 -0.42 0.00 -0.01 0.00 0.00 57.00 57.29 2pit n GLN 798 Cb 0.53 -5.20 -0.03 0.00 1.02 0.00 0.00 30.24 26.56 2pit n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pit s ILE 799 N -3.59 2.73 0.46 5.09 -1.09 -0.82 -5.01 121.20 118.96 2pit s ILE 799 Ca 0.19 0.57 -0.06 0.00 -2.23 0.00 0.00 60.65 59.13 2pit s ILE 799 Cb -0.10 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 2pit s ILE 799 CO 0.82 0.07 0.76 0.42 -1.23 0.00 0.00 174.94 175.79 2pit s THR 800 N 0.49 4.91 0.28 2.92 -4.23 -1.26 -4.90 115.64 113.84 2pit s THR 800 Ca 0.63 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 2pit s THR 800 Cb -0.42 -3.84 0.28 0.00 1.34 0.00 0.00 72.50 69.86 2pit s THR 800 CO 0.38 -0.77 1.84 -0.65 -0.54 0.00 0.00 174.62 174.88 2pit h PRO 801 N 0.45 0.98 -0.36 3.99 0.11 -1.99 0.64 132.00 135.82 2pit h PRO 801 Ca -0.47 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 2pit h PRO 801 Cb 1.20 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2pit h PRO 801 CO 0.62 0.65 0.02 1.96 -0.21 0.00 0.00 178.00 181.05 2pit h GLN 802 N 1.01 0.63 -0.42 1.05 7.50 -1.99 -0.21 115.11 122.69 2pit h GLN 802 Ca 0.48 -0.19 -0.01 0.00 0.50 0.00 0.00 58.65 59.44 2pit h GLN 802 Cb 0.43 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.88 2pit h GLN 802 CO -0.25 0.72 0.24 0.93 -1.50 0.00 0.00 178.83 178.97 2pit h GLU 803 N 0.45 0.57 -0.16 1.46 5.08 -1.69 -1.30 114.58 119.01 2pit h GLU 803 Ca 0.11 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2pit h GLU 803 Cb 0.42 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2pit h GLU 803 CO 0.01 0.45 -0.08 0.35 -1.00 0.00 0.00 179.01 178.74 2pit h PHE 804 N 0.54 -0.19 -0.56 4.33 3.57 -0.75 -0.48 116.94 123.40 2pit h PHE 804 Ca 0.15 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.72 2pit h PHE 804 Cb 0.03 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 2pit h PHE 804 CO -0.03 -0.13 0.29 -0.07 -2.23 0.00 0.00 178.31 176.15 2pit h LEU 805 N -0.07 0.42 -0.54 0.59 3.38 -0.67 -0.14 115.31 118.28 2pit h LEU 805 Ca 0.09 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 2pit h LEU 805 Cb 0.20 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2pit h LEU 805 CO -0.20 0.28 -0.49 0.00 0.09 0.00 0.00 178.44 178.12 2pit h MET 807 N 0.49 0.93 -0.57 0.00 2.86 -0.73 -1.69 114.93 116.22 2pit h MET 807 Ca 0.02 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 2pit h MET 807 Cb 1.03 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 2pit h MET 807 CO 0.10 0.89 0.25 -0.22 1.06 0.00 0.00 176.91 178.98 2pit h LYS 808 N 0.82 0.84 -0.52 1.72 3.64 -0.92 -1.29 116.57 120.86 2pit h LYS 808 Ca 0.17 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2pit h LYS 808 Cb 0.40 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2pit h LYS 808 CO 0.01 0.71 0.31 0.00 -2.27 0.00 0.00 179.45 178.21 2pit h ALA 809 N 1.09 0.67 0.00 5.00 0.00 -1.22 -1.54 119.26 123.26 2pit h ALA 809 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2pit h ALA 809 Cb 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2pit h ALA 809 CO -0.02 0.03 -0.06 1.25 0.00 0.00 0.00 179.25 180.45 2pit h LEU 810 N 0.63 0.00 -1.71 0.00 5.85 -0.75 -1.79 115.31 117.54 2pit h LEU 810 Ca 0.21 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 2pit h LEU 810 Cb 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2pit h LEU 810 CO -0.09 0.06 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.82 2pit h LEU 811 N 0.00 0.00 -1.72 2.25 3.38 -0.18 -1.59 115.31 117.45 2pit h LEU 811 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2pit h LEU 811 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2pit h LEU 811 CO 0.01 0.18 -0.16 0.25 0.09 0.00 0.00 178.44 178.80 2pit h LEU 812 N 0.00 0.00 -3.63 1.67 5.85 -1.29 -2.58 115.31 115.34 2pit h LEU 812 Ca -0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 2pit h LEU 812 Cb 0.35 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.18 2pit h LEU 812 CO 0.02 0.16 0.19 0.49 -0.34 0.00 0.00 178.44 178.96 2pit n PHE 813 N -3.67 1.96 -0.62 1.25 3.72 -0.61 -4.62 117.46 114.87 2pit n PHE 813 Ca -0.02 -1.81 0.07 0.00 -0.05 0.00 0.00 57.45 55.64 2pit n PHE 813 Cb 0.28 -0.70 0.17 0.00 -0.94 0.00 0.00 39.48 38.29 2pit n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2pit n SER 814 N -1.11 3.05 -3.65 4.37 7.64 -0.97 -4.95 113.62 118.01 2pit n SER 814 Ca 0.45 -2.58 -0.05 0.00 1.01 0.00 0.00 58.87 57.70 2pit n SER 814 Cb 1.23 -0.35 -0.07 0.00 -1.01 0.00 0.00 64.21 64.01 2pit n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2pit s ILE 815 N -2.02 -0.81 0.15 0.44 2.07 -1.26 -0.28 121.20 119.49 2pit s ILE 815 Ca 0.28 0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.54 2pit s ILE 815 Cb 0.21 -0.82 -0.01 0.00 0.13 0.00 0.00 42.46 41.97 2pit s ILE 815 CO 0.09 0.04 0.23 0.27 -1.91 0.00 0.00 174.94 173.65 2pit s ILE 816 N 2.74 0.08 0.43 2.00 -4.36 -0.99 -4.76 121.20 116.34 2pit s ILE 816 Ca -0.03 -1.47 -0.26 0.00 -0.26 0.00 0.00 60.65 58.63 2pit s ILE 816 Cb -0.12 -1.82 -0.09 0.00 1.25 0.00 0.00 42.46 41.68 2pit s ILE 816 CO -0.16 -0.37 1.42 -2.16 0.24 0.00 0.00 174.94 173.91 2pit s PRO 817 N -3.97 3.82 0.49 0.37 0.04 -1.26 -1.88 135.00 132.61 2pit s PRO 817 Ca 0.17 2.40 0.18 0.00 0.04 0.00 0.00 61.00 63.79 2pit s PRO 817 Cb 0.04 -2.74 1.21 0.00 0.04 0.00 0.00 34.50 33.05 2pit s PRO 817 CO -0.01 -0.70 2.04 0.28 0.04 0.00 0.00 177.00 178.65 2pit h VAL 818 N 2.47 0.89 -0.27 -0.36 2.07 -1.05 0.47 116.25 120.47 2pit h VAL 818 Ca -0.51 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2pit h VAL 818 Cb 1.26 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2pit h VAL 818 CO 0.62 0.03 0.00 0.47 0.02 0.00 0.00 177.57 178.71 2pit n ASP 819 N -4.46 1.65 0.00 0.57 8.00 -1.26 -5.04 116.55 116.01 2pit n ASP 819 Ca 0.05 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.65 2pit n ASP 819 Cb 0.34 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2pit n ASP 819 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pit n GLY 820 N 1.03 -0.94 4.00 0.44 0.00 0.15 -5.03 105.19 104.85 2pit n GLY 820 Ca 0.12 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 2pit n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pit s LEU 821 N -3.39 2.95 0.19 0.99 1.43 -1.26 -4.63 118.68 114.96 2pit s LEU 821 Ca 0.00 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 2pit s LEU 821 Cb 0.00 -1.78 0.15 0.00 0.03 0.00 0.00 46.19 44.59 2pit s LEU 821 CO 0.00 -1.90 1.80 0.50 0.23 0.00 0.00 176.35 176.98 2pit h LYS 822 N -0.52 0.55 -2.53 1.70 1.63 -1.96 -3.30 116.57 112.14 2pit h LYS 822 Ca -0.34 -0.03 -0.60 0.00 -0.85 0.00 0.00 60.65 58.83 2pit h LYS 822 Cb 1.26 -0.12 -0.39 0.00 -0.60 0.00 0.00 32.23 32.38 2pit h LYS 822 CO 0.38 0.36 -0.87 -1.71 -3.45 0.00 0.00 179.45 174.16 2pit n ASN 823 N -4.85 0.56 -0.35 4.20 4.05 -1.26 -4.98 115.26 112.64 2pit n ASN 823 Ca 0.05 -2.63 0.02 0.00 0.45 0.00 0.00 54.58 52.47 2pit n ASN 823 Cb 0.13 -0.61 0.18 0.00 1.23 0.00 0.00 39.78 40.71 2pit n ASN 823 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 2pit h GLN 824 N 5.45 1.14 -0.33 1.20 1.08 -1.96 -2.94 115.11 118.76 2pit h GLN 824 Ca 0.23 -0.07 0.07 0.00 -1.45 0.00 0.00 58.65 57.43 2pit h GLN 824 Cb 0.86 -0.26 -0.08 0.00 -0.05 0.00 0.00 27.48 27.95 2pit h GLN 824 CO 0.48 0.75 -0.37 0.87 -0.95 0.00 0.00 178.83 179.61 2pit h LYS 825 N 1.17 -0.32 -0.85 1.46 1.79 -1.94 0.71 116.57 118.60 2pit h LYS 825 Ca 0.41 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.89 2pit h LYS 825 Cb 0.11 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 2pit h LYS 825 CO -0.15 -0.21 0.51 0.74 -1.08 0.00 0.00 179.45 179.27 2pit h PHE 826 N -0.33 1.12 -0.14 -1.35 0.04 -1.95 -1.02 116.94 113.31 2pit h PHE 826 Ca 0.14 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 2pit h PHE 826 Cb 0.57 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 2pit h PHE 826 CO -0.54 0.75 0.03 0.35 -0.60 0.00 0.00 178.31 178.30 2pit h PHE 827 N 1.17 0.23 -0.72 -0.55 3.04 -1.13 -1.12 116.94 117.86 2pit h PHE 827 Ca 0.31 -0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.32 2pit h PHE 827 Cb -0.05 -0.07 -0.07 0.00 2.56 0.00 0.00 35.95 38.33 2pit h PHE 827 CO -0.00 0.38 0.37 -0.44 -2.02 0.00 0.00 178.31 176.60 2pit h ASP 828 N 0.02 0.50 -0.36 0.41 3.32 0.74 0.90 116.42 121.94 2pit h ASP 828 Ca 0.04 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2pit h ASP 828 Cb 0.27 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2pit h ASP 828 CO 0.00 0.29 0.04 -0.08 -1.72 0.00 0.00 179.24 177.77 2pit h GLU 829 N 0.63 0.60 -0.34 3.56 4.81 -1.06 -1.27 114.58 121.51 2pit h GLU 829 Ca 0.35 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2pit h GLU 829 Cb 0.35 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2pit h GLU 829 CO -0.26 0.68 0.16 1.25 -0.73 0.00 0.00 179.01 180.11 2pit h LEU 830 N 0.43 0.45 -0.83 1.64 5.85 -0.59 -1.51 115.31 120.75 2pit h LEU 830 Ca 0.11 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2pit h LEU 830 Cb 0.38 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2pit h LEU 830 CO 0.01 0.46 0.52 -0.09 -0.34 0.00 0.00 178.44 178.99 2pit h ARG 831 N 0.41 1.12 -0.68 1.25 2.43 -0.77 -1.57 114.38 116.58 2pit h ARG 831 Ca 0.12 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2pit h ARG 831 Cb 0.13 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2pit h ARG 831 CO -0.01 0.78 0.45 1.98 -1.51 0.00 0.00 179.97 181.66 2pit h MET 832 N 1.14 0.89 -0.31 0.20 4.05 -0.88 -1.41 114.93 118.61 2pit h MET 832 Ca 0.30 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.59 2pit h MET 832 Cb -0.07 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.51 2pit h MET 832 CO -0.06 0.59 -0.13 -0.91 0.23 0.00 0.00 176.91 176.63 2pit h ASN 833 N 0.92 0.52 0.20 1.39 2.35 -0.69 -0.87 115.58 119.41 2pit h ASN 833 Ca 0.25 -0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 2pit h ASN 833 Cb -0.10 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2pit h ASN 833 CO -0.06 0.68 -0.49 1.88 -1.65 0.00 0.00 177.43 177.79 2pit h TYR 834 N 0.49 0.41 -0.49 1.19 -1.99 -0.81 -1.06 116.97 114.70 2pit h TYR 834 Ca 0.09 -0.13 -0.07 0.00 2.00 0.00 0.00 58.73 60.61 2pit h TYR 834 Cb 0.52 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.15 2pit h TYR 834 CO 0.02 0.76 0.01 0.82 -0.00 0.00 0.00 178.16 179.77 2pit h ILE 835 N 0.27 1.26 -0.97 -2.88 2.04 -0.77 -2.41 117.51 114.05 2pit h ILE 835 Ca 0.01 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.83 2pit h ILE 835 Cb 0.96 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 2pit h ILE 835 CO 0.08 0.37 0.63 0.11 0.00 0.00 0.00 178.15 179.34 2pit h LYS 836 N 0.72 1.29 -0.76 2.37 1.57 -0.80 -1.58 116.57 119.37 2pit h LYS 836 Ca 0.14 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2pit h LYS 836 Cb 0.49 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2pit h LYS 836 CO 0.02 0.86 0.37 0.93 -0.57 0.00 0.00 179.45 181.07 2pit h GLU 837 N 1.32 1.08 -0.69 3.15 4.39 -0.89 -1.19 114.58 121.75 2pit h GLU 837 Ca 0.35 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.85 2pit h GLU 837 Cb -0.13 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.29 2pit h GLU 837 CO -0.07 0.83 0.22 1.25 -1.16 0.00 0.00 179.01 180.07 2pit h LEU 838 N 1.08 0.99 -0.02 1.33 5.85 -0.86 -1.53 115.31 122.15 2pit h LEU 838 Ca 0.26 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2pit h LEU 838 Cb 0.10 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2pit h LEU 838 CO -0.04 0.92 -0.07 0.44 -0.34 0.00 0.00 178.44 179.36 2pit h ASP 839 N 1.02 -0.20 -0.51 1.25 3.32 -0.36 -0.74 116.42 120.21 2pit h ASP 839 Ca 0.23 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.38 2pit h ASP 839 Cb 0.29 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 2pit h ASP 839 CO -0.01 -0.10 0.17 0.03 -1.72 0.00 0.00 179.24 177.61 2pit h ARG 840 N -0.11 0.33 -0.96 3.56 3.08 -0.91 0.11 114.38 119.48 2pit h ARG 840 Ca 0.03 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2pit h ARG 840 Cb 0.15 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 2pit h ARG 840 CO -0.08 0.22 0.59 0.82 -1.07 0.00 0.00 179.97 180.45 2pit h ILE 841 N 0.34 1.26 -0.04 2.04 2.04 -0.87 -1.54 117.51 120.74 2pit h ILE 841 Ca 0.25 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2pit h ILE 841 Cb 0.28 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.24 2pit h ILE 841 CO -0.26 0.27 -0.01 0.40 0.00 0.00 0.00 178.15 178.54 2pit h ILE 842 N 1.32 1.31 0.00 -0.67 2.04 -0.16 -3.02 117.51 118.34 2pit h ILE 842 Ca 0.35 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2pit h ILE 842 Cb -0.08 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2pit h ILE 842 CO -0.07 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.34 2pit h ALA 843 N 0.63 1.00 0.00 1.87 0.00 -0.63 -3.18 119.26 118.95 2pit h ALA 843 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2pit h ALA 843 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pit h ALA 843 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2pit n LYS 845 N 1.15 0.00 -3.62 0.00 3.00 -1.20 -5.06 118.16 112.43 2pit n LYS 845 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 2pit n LYS 845 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.40 2pit n LYS 845 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2pit s ARG 846 N 0.00 2.92 0.13 1.64 3.00 -1.21 -4.92 118.95 120.51 2pit s ARG 846 Ca 0.00 -2.63 -0.19 0.00 0.00 0.00 0.00 55.73 52.91 2pit s ARG 846 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 34.95 30.99 2pit s ARG 846 CO 0.00 -1.21 1.75 -0.22 0.00 0.00 0.00 175.30 175.62 2pit h LYS 847 N 7.05 0.19 -6.62 3.54 1.63 -1.95 -3.42 116.57 117.00 2pit h LYS 847 Ca 0.04 -0.01 -0.51 0.00 -0.85 0.00 0.00 60.65 59.31 2pit h LYS 847 Cb 0.95 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 2pit h LYS 847 CO 0.74 0.13 0.39 1.21 -3.45 0.00 0.00 179.45 178.47 2pit s ASN 848 N -5.32 7.45 0.13 4.20 3.84 -1.26 -4.95 114.94 119.03 2pit s ASN 848 Ca -0.13 1.91 0.16 0.00 0.21 0.00 0.00 52.86 55.00 2pit s ASN 848 Cb 0.10 -2.60 0.70 0.00 -0.55 0.00 0.00 41.25 38.90 2pit s ASN 848 CO 0.69 -0.08 1.49 -0.81 -2.79 0.00 0.00 177.10 175.60 2pit n PRO 849 N 2.46 0.08 0.04 0.43 -0.04 -1.26 -3.14 135.00 133.58 2pit n PRO 849 Ca 0.02 0.41 -0.21 0.00 -0.04 0.00 0.00 63.50 63.67 2pit n PRO 849 Cb 0.48 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 32.11 2pit n PRO 849 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2pit h THR 850 N 0.00 1.32 0.00 0.52 2.02 -1.94 -3.28 112.91 111.55 2pit h THR 850 Ca 0.00 -2.51 -0.06 0.00 0.77 0.00 0.00 66.41 64.62 2pit h THR 850 Cb 0.20 3.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 2pit h THR 850 CO 0.00 0.72 -0.27 0.77 0.37 0.00 0.00 175.52 177.11 2pit h SER 851 N -0.30 0.00 -0.25 4.18 4.64 -1.93 -2.53 113.55 117.36 2pit h SER 851 Ca -0.21 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.03 2pit h SER 851 Cb 1.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.82 2pit h SER 851 CO 0.13 0.27 -0.15 0.00 -0.87 0.00 0.00 176.83 176.20 2pit h SER 853 N 0.27 0.34 -0.55 0.00 0.02 -1.59 -2.70 113.55 109.33 2pit h SER 853 Ca 0.05 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 60.79 2pit h SER 853 Cb 0.68 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 2pit h SER 853 CO 0.04 0.52 0.27 -0.09 -1.14 0.00 0.00 176.83 176.44 2pit h ARG 854 N 0.14 0.51 -0.18 3.45 2.43 -1.45 -2.12 114.38 117.15 2pit h ARG 854 Ca 0.06 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2pit h ARG 854 Cb 0.33 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2pit h ARG 854 CO 0.01 0.33 0.04 -0.09 -1.51 0.00 0.00 179.97 178.75 2pit h ARG 855 N 0.52 0.12 -0.70 0.20 9.65 -1.13 0.39 114.38 123.43 2pit h ARG 855 Ca 0.25 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.15 2pit h ARG 855 Cb 0.18 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 2pit h ARG 855 CO -0.19 0.08 0.44 0.35 2.80 0.00 0.00 179.97 183.45 2pit h PHE 856 N 0.12 0.82 -0.02 2.20 3.57 -1.24 0.22 116.94 122.61 2pit h PHE 856 Ca 0.08 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2pit h PHE 856 Cb 0.06 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 2pit h PHE 856 CO -0.13 0.47 -0.12 -0.92 -2.23 0.00 0.00 178.31 175.38 2pit h TYR 857 N 0.86 -0.31 -0.11 0.41 3.20 -0.80 -0.72 116.97 119.50 2pit h TYR 857 Ca 0.28 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.19 2pit h TYR 857 Cb 0.02 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2pit h TYR 857 CO -0.04 -0.18 -0.05 1.96 -1.64 0.00 0.00 178.16 178.20 2pit h GLN 858 N -0.19 -0.04 -0.59 1.82 4.20 -0.24 -1.59 115.11 118.48 2pit h GLN 858 Ca 0.05 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 2pit h GLN 858 Cb 0.26 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2pit h GLN 858 CO -0.14 -0.03 0.13 -0.07 -0.67 0.00 0.00 178.83 178.06 2pit h LEU 859 N -0.04 0.88 -1.10 1.46 3.38 -0.80 -0.56 115.31 118.52 2pit h LEU 859 Ca 0.06 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2pit h LEU 859 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2pit h LEU 859 CO -0.14 0.86 -0.44 0.71 0.09 0.00 0.00 178.44 179.52 2pit h THR 860 N 0.89 1.32 -0.31 0.22 1.35 -0.94 0.11 112.91 115.55 2pit h THR 860 Ca 0.19 -1.52 -0.14 0.00 -0.55 0.00 0.00 66.41 64.39 2pit h THR 860 Cb 0.34 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2pit h THR 860 CO 0.00 0.44 -0.34 0.11 -0.25 0.00 0.00 175.52 175.48 2pit h LYS 861 N 0.02 0.78 -0.27 4.72 1.79 -0.77 -1.22 116.57 121.61 2pit h LYS 861 Ca -0.00 -0.42 -0.02 0.00 -2.18 0.00 0.00 60.65 58.03 2pit h LYS 861 Cb 0.79 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.45 2pit h LYS 861 CO 0.06 1.05 0.10 1.25 -1.08 0.00 0.00 179.45 180.83 2pit h LEU 862 N 0.54 0.38 -0.49 2.94 5.85 -0.59 -1.57 115.31 122.36 2pit h LEU 862 Ca 0.04 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2pit h LEU 862 Cb 0.93 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 2pit h LEU 862 CO 0.08 0.45 0.22 -0.07 -0.34 0.00 0.00 178.44 178.78 2pit h LEU 863 N 0.28 0.29 -1.16 2.25 3.38 -0.74 -1.91 115.31 117.70 2pit h LEU 863 Ca 0.09 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2pit h LEU 863 Cb 0.19 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2pit h LEU 863 CO -0.01 0.20 0.46 0.44 0.09 0.00 0.00 178.44 179.62 2pit h ASP 864 N 0.43 0.91 0.16 -0.43 3.32 -1.00 -2.27 116.42 117.55 2pit h ASP 864 Ca 0.22 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2pit h ASP 864 Cb 0.17 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2pit h ASP 864 CO -0.19 0.70 0.00 0.77 -1.72 0.00 0.00 179.24 178.81 2pit h SER 865 N 1.05 0.00 0.15 6.45 4.64 -0.45 -2.04 113.55 123.34 2pit h SER 865 Ca 0.27 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.39 2pit h SER 865 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2pit h SER 865 CO -0.05 0.00 -0.80 0.58 -0.87 0.00 0.00 176.83 175.69 2pit h VAL 866 N 0.00 1.35 -0.34 0.95 2.07 -1.33 -3.35 116.25 115.60 2pit h VAL 866 Ca 0.00 -2.16 0.02 0.00 0.82 0.00 0.00 66.70 65.38 2pit h VAL 866 Cb 0.08 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 2pit h VAL 866 CO 0.00 0.66 0.18 1.56 0.02 0.00 0.00 177.57 179.99 2pit h GLN 867 N 0.35 0.35 -0.33 1.57 1.08 -1.50 -0.90 115.11 115.73 2pit h GLN 867 Ca -0.05 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 2pit h GLN 867 Cb 1.41 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.74 2pit h GLN 867 CO 0.15 0.23 0.06 -1.35 -0.95 0.00 0.00 178.83 176.97 2pit h PRO 868 N 0.36 0.49 -0.27 1.46 0.11 -1.72 0.43 132.00 132.87 2pit h PRO 868 Ca 0.14 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 2pit h PRO 868 Cb 0.04 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 2pit h PRO 868 CO -0.09 0.46 -0.11 0.82 -0.21 0.00 0.00 178.00 178.88 2pit h ILE 869 N 0.48 1.29 -0.47 4.15 2.04 -1.60 -1.95 117.51 121.45 2pit h ILE 869 Ca 0.11 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.75 2pit h ILE 869 Cb 0.21 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2pit h ILE 869 CO -0.00 0.37 0.09 0.00 0.00 0.00 0.00 178.15 178.61 2pit h ALA 870 N 0.75 1.29 -0.46 1.87 0.00 -0.64 -1.89 119.26 120.17 2pit h ALA 870 Ca 0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2pit h ALA 870 Cb 0.61 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2pit h ALA 870 CO 0.03 0.50 0.05 -0.09 0.00 0.00 0.00 179.25 179.74 2pit h ARG 871 N 0.69 0.78 -0.57 0.00 2.43 -0.73 0.12 114.38 117.11 2pit h ARG 871 Ca 0.15 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 2pit h ARG 871 Cb 0.29 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2pit h ARG 871 CO 0.00 0.81 0.15 0.93 -1.51 0.00 0.00 179.97 180.36 2pit h GLU 872 N 0.64 0.87 -0.22 0.20 5.08 -1.04 -0.45 114.58 119.66 2pit h GLU 872 Ca 0.14 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 2pit h GLU 872 Cb 0.43 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2pit h GLU 872 CO 0.01 0.77 -0.48 -0.07 -1.00 0.00 0.00 179.01 178.24 2pit h LEU 873 N 0.84 0.63 -0.39 1.33 3.38 -1.03 -0.91 115.31 119.16 2pit h LEU 873 Ca 0.19 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pit h LEU 873 Cb 0.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2pit h LEU 873 CO -0.00 1.01 0.24 0.45 0.09 0.00 0.00 178.44 180.23 2pit h HIS 874 N 0.46 0.51 -0.31 1.13 3.86 -0.22 0.12 115.15 120.71 2pit h HIS 874 Ca 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2pit h HIS 874 Cb 1.01 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.30 2pit h HIS 874 CO 0.04 0.35 0.17 1.96 0.86 0.00 0.00 177.93 181.31 2pit h GLN 875 N 0.52 0.43 -0.31 2.45 4.20 -0.92 -1.23 115.11 120.25 2pit h GLN 875 Ca 0.14 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2pit h GLN 875 Cb -0.02 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2pit h GLN 875 CO -0.03 0.37 0.10 0.35 -0.67 0.00 0.00 178.83 178.95 2pit h PHE 876 N 0.38 0.50 -0.26 2.96 3.04 -0.88 -2.20 116.94 120.47 2pit h PHE 876 Ca 0.11 -0.05 -0.11 0.00 3.98 0.00 0.00 57.97 61.90 2pit h PHE 876 Cb 0.06 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 2pit h PHE 876 CO -0.03 0.50 -0.28 0.00 -2.02 0.00 0.00 178.31 176.48 2pit h THR 877 N 0.35 1.28 0.31 4.41 1.03 -0.69 -1.10 112.91 118.49 2pit h THR 877 Ca 0.10 -1.35 -0.02 0.00 -0.01 0.00 0.00 66.41 65.14 2pit h THR 877 Cb 0.24 1.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 2pit h THR 877 CO -0.00 0.43 -0.15 0.15 -0.01 0.00 0.00 175.52 175.94 2pit h PHE 878 N 0.46 -0.38 -0.92 0.00 3.57 -1.08 0.70 116.94 119.29 2pit h PHE 878 Ca 0.06 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2pit h PHE 878 Cb 0.73 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.54 2pit h PHE 878 CO 0.03 -0.23 0.60 -0.44 -2.23 0.00 0.00 178.31 176.03 2pit h ASP 879 N -0.42 1.00 -0.71 0.41 3.32 -1.27 -1.67 116.42 117.08 2pit h ASP 879 Ca -0.04 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2pit h ASP 879 Cb 0.32 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2pit h ASP 879 CO 0.07 0.68 0.30 0.25 -1.72 0.00 0.00 179.24 178.82 2pit h LEU 880 N 1.16 0.97 -0.70 1.55 5.85 -0.85 -2.27 115.31 121.02 2pit h LEU 880 Ca 0.37 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2pit h LEU 880 Cb 0.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2pit h LEU 880 CO -0.12 0.86 0.33 0.25 -0.34 0.00 0.00 178.44 179.42 2pit h LEU 881 N 1.01 0.92 -0.41 2.25 5.85 -0.18 0.34 115.31 125.09 2pit h LEU 881 Ca 0.24 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2pit h LEU 881 Cb 0.18 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2pit h LEU 881 CO -0.02 0.80 0.23 0.40 -0.34 0.00 0.00 178.44 179.51 2pit h ILE 882 N 0.98 1.02 -0.53 4.05 1.08 -0.89 -2.64 117.51 120.57 2pit h ILE 882 Ca 0.24 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 2pit h ILE 882 Cb 0.13 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 2pit h ILE 882 CO -0.03 0.08 0.01 2.29 -0.69 0.00 0.00 178.15 179.82 2pit n LYS 883 N -4.88 4.56 -0.34 2.37 2.85 -0.89 -4.63 118.16 117.21 2pit n LYS 883 Ca 0.01 -3.12 0.09 0.00 -1.05 0.00 0.00 58.31 54.24 2pit n LYS 883 Cb 0.07 -2.21 0.26 0.00 -0.65 0.00 0.00 35.03 32.50 2pit n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2pit h SER 884 N 3.61 0.77 -0.33 -5.58 4.64 0.06 -1.80 113.55 114.91 2pit h SER 884 Ca 0.01 0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 2pit h SER 884 Cb 1.92 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.92 2pit h SER 884 CO 0.46 0.35 -0.06 0.45 -0.87 0.00 0.00 176.83 177.16 2pit h HIS 885 N 0.82 0.80 0.00 4.77 3.86 -1.82 -1.01 115.15 122.57 2pit h HIS 885 Ca 0.51 -0.13 -0.13 0.00 -1.16 0.00 0.00 60.37 59.46 2pit h HIS 885 Cb 0.65 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 2pit h HIS 885 CO -0.03 0.78 -0.63 0.52 0.86 0.00 0.00 177.93 179.43 2pit h MET 886 N 0.68 0.00 -0.46 2.45 2.07 -1.69 -3.19 114.93 114.79 2pit h MET 886 Ca 0.12 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 2pit h MET 886 Cb 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 2pit h MET 886 CO 0.03 0.63 0.00 1.33 1.07 0.00 0.00 176.91 179.97 2pit n VAL 887 N -3.68 0.73 -3.72 -2.22 0.24 -0.99 -4.99 118.33 103.70 2pit n VAL 887 Ca -0.01 -0.87 -0.24 0.00 -2.04 0.00 0.00 64.34 61.18 2pit n VAL 887 Cb 0.65 0.74 0.05 0.00 -1.47 0.00 0.00 33.84 33.81 2pit n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2pit n SER 888 N 1.25 -3.57 -4.55 -1.34 7.64 -0.47 -4.60 113.62 107.98 2pit n SER 888 Ca 0.18 -0.73 -0.34 0.00 1.01 0.00 0.00 58.87 58.99 2pit n SER 888 Cb 0.54 -4.32 -0.11 0.00 -1.01 0.00 0.00 64.21 59.32 2pit n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2pit s VAL 889 N -3.43 4.18 -0.03 0.44 1.01 -0.70 -4.79 120.40 117.08 2pit s VAL 889 Ca 0.35 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 2pit s VAL 889 Cb -0.17 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2pit s VAL 889 CO 0.79 0.50 0.36 -1.81 0.00 0.00 0.00 175.10 174.94 2pit s ASP 890 N 0.23 6.73 -0.16 3.32 1.01 -1.26 -4.63 116.67 121.90 2pit s ASP 890 Ca -0.00 0.86 0.01 0.00 0.71 0.00 0.00 52.55 54.13 2pit s ASP 890 Cb -0.13 -2.22 0.02 0.00 1.01 0.00 0.00 42.92 41.60 2pit s ASP 890 CO 0.02 0.33 -0.20 -0.36 0.21 0.00 0.00 175.17 175.18 2pit s PHE 891 N -1.02 2.62 1.01 4.23 0.40 -1.26 -4.59 117.98 119.38 2pit s PHE 891 Ca 0.22 -1.46 -0.11 0.00 -0.60 0.00 0.00 56.93 54.97 2pit s PHE 891 Cb -0.16 -1.82 0.20 0.00 0.51 0.00 0.00 43.02 41.75 2pit s PHE 891 CO 0.11 -0.71 1.09 -2.14 0.70 0.00 0.00 175.22 174.27 2pit s PRO 892 N 1.15 0.25 0.10 0.24 0.02 -1.26 -4.64 135.00 130.85 2pit s PRO 892 Ca 0.01 1.19 -0.25 0.00 0.02 0.00 0.00 61.00 61.98 2pit s PRO 892 Cb -0.14 -1.66 -0.08 0.00 0.02 0.00 0.00 34.50 32.63 2pit s PRO 892 CO -0.09 -3.04 1.41 1.49 -0.33 0.00 0.00 177.00 176.44 2pit h GLU 893 N -2.15 -0.30 -0.70 5.54 4.81 -1.99 -1.44 114.58 118.34 2pit h GLU 893 Ca -0.51 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2pit h GLU 893 Cb 1.30 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.71 2pit h GLU 893 CO 0.46 -0.20 0.46 0.52 -0.73 0.00 0.00 179.01 179.52 2pit h MET 894 N -0.32 0.89 -0.28 1.92 2.86 -1.99 -2.01 114.93 116.01 2pit h MET 894 Ca 0.05 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2pit h MET 894 Cb 0.45 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2pit h MET 894 CO -0.42 0.59 0.16 0.52 1.06 0.00 0.00 176.91 178.81 2pit h MET 895 N 0.92 0.32 -0.69 1.72 2.86 -1.86 -0.00 114.93 118.19 2pit h MET 895 Ca 0.27 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.84 2pit h MET 895 Cb -0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 2pit h MET 895 CO -0.07 0.21 0.25 0.00 1.06 0.00 0.00 176.91 178.35 2pit h ALA 896 N 1.12 1.13 -0.16 6.32 0.00 -1.07 0.04 119.26 126.65 2pit h ALA 896 Ca 0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2pit h ALA 896 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2pit h ALA 896 CO -0.05 0.61 -0.06 1.49 0.00 0.00 0.00 179.25 181.24 2pit h GLU 897 N 1.02 0.32 -0.45 0.00 4.81 -1.06 -2.36 114.58 116.86 2pit h GLU 897 Ca 0.23 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 2pit h GLU 897 Cb 0.24 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2pit h GLU 897 CO -0.01 0.62 -0.23 0.82 -0.73 0.00 0.00 179.01 179.48 2pit h ILE 898 N -0.00 1.27 0.00 2.32 2.04 -0.84 -1.81 117.51 120.49 2pit h ILE 898 Ca 0.04 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 2pit h ILE 898 Cb 0.52 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2pit h ILE 898 CO 0.02 0.47 -0.11 0.40 0.00 0.00 0.00 178.15 178.93 2pit h ILE 899 N 0.79 0.25 0.00 -0.67 2.04 -1.01 -0.60 117.51 118.31 2pit h ILE 899 Ca 0.10 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2pit h ILE 899 Cb 0.78 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2pit h ILE 899 CO 0.06 0.10 -1.50 -1.54 0.00 0.00 0.00 178.15 175.28 2pit n SER 900 N -3.22 0.49 -0.06 1.72 3.41 -0.89 -4.15 113.62 110.92 2pit n SER 900 Ca 0.01 -0.47 -0.11 0.00 -0.26 0.00 0.00 58.87 58.04 2pit n SER 900 Cb 0.40 1.49 -0.04 0.00 -0.26 0.00 0.00 64.21 65.79 2pit n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pit n VAL 901 N -1.90 0.61 -0.10 -3.33 0.31 -0.69 -4.71 118.33 108.52 2pit n VAL 901 Ca -0.00 -0.18 -0.19 0.00 -0.01 0.00 0.00 64.34 63.96 2pit n VAL 901 Cb 0.45 -1.46 -0.11 0.00 -0.91 0.00 0.00 33.84 31.82 2pit n VAL 901 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2pit h GLN 902 N -0.30 0.00 -0.87 5.55 1.08 -1.33 -3.38 115.11 115.86 2pit h GLN 902 Ca -0.27 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.07 2pit h GLN 902 Cb 1.28 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.62 2pit h GLN 902 CO -0.14 0.94 0.46 0.28 -0.95 0.00 0.00 178.83 179.42 2pit h VAL 903 N -1.00 0.74 0.00 -0.54 2.07 -1.50 -0.21 116.25 115.82 2pit h VAL 903 Ca -0.27 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2pit h VAL 903 Cb 1.20 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2pit h VAL 903 CO -0.16 0.12 -0.02 -0.65 0.02 0.00 0.00 177.57 176.88 2pit h PRO 904 N 0.66 0.00 -0.03 1.57 0.11 -1.76 0.93 132.00 133.47 2pit h PRO 904 Ca 0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.54 2pit h PRO 904 Cb 0.66 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 2pit h PRO 904 CO -0.36 0.02 -0.20 0.87 -0.21 0.00 0.00 178.00 178.13 2pit h LYS 905 N 0.00 0.05 0.02 1.05 1.57 -1.21 0.71 116.57 118.77 2pit h LYS 905 Ca -0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2pit h LYS 905 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2pit h LYS 905 CO 0.00 0.25 -0.01 0.82 -0.57 0.00 0.00 179.45 179.94 2pit h ILE 906 N 0.05 1.50 0.00 1.86 2.04 -0.77 0.15 117.51 122.34 2pit h ILE 906 Ca 0.01 -1.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 2pit h ILE 906 Cb 0.38 2.67 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2pit h ILE 906 CO 0.03 0.44 -0.14 -0.07 0.00 0.00 0.00 178.15 178.41 2pit h LEU 907 N -0.82 0.00 -1.00 1.44 3.38 -0.96 -1.80 115.31 115.55 2pit h LEU 907 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pit h LEU 907 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2pit h LEU 907 CO 0.00 0.14 0.00 -1.54 0.09 0.00 0.00 178.44 177.13 2pit n SER 908 N -3.76 1.55 0.00 -0.43 3.41 0.22 -4.94 113.62 109.66 2pit n SER 908 Ca -0.02 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 2pit n SER 908 Cb 0.25 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2pit n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pit n GLY 909 N 1.18 0.72 0.12 5.00 0.00 -0.68 -4.93 105.19 106.61 2pit n GLY 909 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 2pit n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pit h LYS 910 N 2.54 0.00 -4.86 1.61 1.57 -0.97 -3.43 116.57 113.02 2pit h LYS 910 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 2pit h LYS 910 Cb 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 31.97 2pit h LYS 910 CO 0.00 0.66 -0.84 0.08 -0.57 0.00 0.00 179.45 178.78 2pit s VAL 911 N -3.13 1.59 0.08 0.50 1.01 -0.47 -0.43 120.40 119.56 2pit s VAL 911 Ca 0.01 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.33 2pit s VAL 911 Cb 0.10 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 2pit s VAL 911 CO 0.76 0.46 -0.13 -0.54 0.00 0.00 0.00 175.10 175.64 2pit s LYS 912 N 0.78 0.86 0.67 2.72 1.02 -0.79 -4.39 119.74 120.61 2pit s LYS 912 Ca -0.11 -1.04 -0.14 0.00 0.02 0.00 0.00 55.97 54.71 2pit s LYS 912 Cb -0.16 -0.78 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 2pit s LYS 912 CO 0.01 0.16 1.10 -2.14 -0.92 0.00 0.00 175.35 173.56 2pit s PRO 913 N -2.08 2.82 -0.41 -1.68 0.02 -1.26 -2.34 135.00 130.07 2pit s PRO 913 Ca 0.01 1.30 -0.14 0.00 0.02 0.00 0.00 61.00 62.19 2pit s PRO 913 Cb -0.08 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.51 2pit s PRO 913 CO 0.02 -1.22 0.29 0.42 -0.33 0.00 0.00 177.00 176.18 2pit s ILE 914 N -2.48 5.10 0.12 2.83 1.01 0.61 -4.90 121.20 123.49 2pit s ILE 914 Ca 0.65 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 2pit s ILE 914 Cb -0.19 -3.87 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 2pit s ILE 914 CO 0.43 -0.34 0.41 -0.31 0.00 0.00 0.00 174.94 175.14 2pit s TYR 915 N 1.64 3.53 -0.09 3.97 1.51 -1.26 -4.89 117.35 121.76 2pit s TYR 915 Ca 0.04 0.71 -0.25 0.00 -1.01 0.00 0.00 57.07 56.57 2pit s TYR 915 Cb -0.20 -2.11 -0.29 0.00 -0.11 0.00 0.00 41.96 39.25 2pit s TYR 915 CO 0.09 0.46 0.83 0.74 -1.11 0.00 0.00 175.55 176.56 2pit h PHE 916 N 3.27 0.31 -2.68 2.71 -1.00 -1.98 -3.46 116.94 114.12 2pit h PHE 916 Ca -0.48 -0.23 -0.57 0.00 2.81 0.00 0.00 57.97 59.51 2pit h PHE 916 Cb 1.18 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.67 2pit h PHE 916 CO 0.64 1.19 -0.54 -1.01 -1.61 0.00 0.00 178.31 176.98 2pit s HIS 917 N -2.34 3.24 -2.00 -0.55 3.76 -1.26 -5.15 115.29 110.98 2pit s HIS 917 Ca -0.16 0.02 0.30 0.00 -0.15 0.00 0.00 55.06 55.07 2pit s HIS 917 Cb -0.01 -1.56 1.78 0.00 1.11 0.00 0.00 32.58 33.91 2pit s HIS 917 CO 0.77 0.52 2.11 2.41 -0.85 0.00 0.00 174.74 179.70