#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pio h ILE 672 N 0.00 0.31 -0.63 0.52 2.04 -2.06 -0.45 117.51 117.24 2pio h ILE 672 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 2pio h ILE 672 Cb 0.00 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.33 2pio h ILE 672 CO 0.00 0.00 0.29 0.15 0.00 0.00 0.00 178.15 178.59 2pio h PHE 673 N -0.29 0.51 -0.30 1.37 3.57 -2.04 -1.29 116.94 118.46 2pio h PHE 673 Ca 0.14 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 2pio h PHE 673 Cb 0.51 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2pio h PHE 673 CO -0.44 0.18 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.63 2pio h LEU 674 N 0.51 0.50 -0.90 0.59 3.38 -1.88 -2.61 115.31 114.89 2pio h LEU 674 Ca 0.30 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2pio h LEU 674 Cb 0.31 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2pio h LEU 674 CO -0.26 0.66 0.52 0.78 0.09 0.00 0.00 178.44 180.24 2pio h ASN 675 N 0.48 1.10 0.21 -0.43 2.35 0.05 -1.87 115.58 117.47 2pio h ASN 675 Ca 0.09 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2pio h ASN 675 Cb 0.50 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2pio h ASN 675 CO 0.03 0.86 -0.10 0.58 -1.65 0.00 0.00 177.43 177.15 2pio h VAL 676 N 1.25 0.87 -0.49 2.81 2.07 -1.06 -0.45 116.25 121.25 2pio h VAL 676 Ca 0.32 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.35 2pio h VAL 676 Cb -0.02 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2pio h VAL 676 CO -0.06 0.13 0.14 -0.07 0.02 0.00 0.00 177.57 177.73 2pio h LEU 677 N -0.58 0.10 -0.26 2.57 3.38 -1.41 0.13 115.31 119.24 2pio h LEU 677 Ca -0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2pio h LEU 677 Cb 0.42 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2pio h LEU 677 CO 0.05 0.08 0.17 -0.33 0.09 0.00 0.00 178.44 178.50 2pio h GLU 678 N 0.29 0.35 -0.25 1.13 5.08 -1.34 -1.96 114.58 117.88 2pio h GLU 678 Ca 0.24 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2pio h GLU 678 Cb 0.29 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2pio h GLU 678 CO -0.28 0.23 -0.13 0.00 -1.00 0.00 0.00 179.01 177.84 2pio h ALA 679 N 1.09 1.32 -0.01 3.43 0.00 -0.13 -3.15 119.26 121.82 2pio h ALA 679 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2pio h ALA 679 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2pio h ALA 679 CO -0.02 0.45 -0.39 0.44 0.00 0.00 0.00 179.25 179.74 2pio n ILE 680 N -4.22 0.00 -1.68 0.00 -5.35 0.36 -4.95 119.36 103.52 2pio n ILE 680 Ca 0.00 -0.18 -0.46 0.00 -0.27 0.00 0.00 62.75 61.84 2pio n ILE 680 Cb 0.31 0.81 -0.04 0.00 -1.74 0.00 0.00 39.64 38.97 2pio n ILE 680 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2pio n GLU 681 N -0.40 2.33 -1.56 6.28 4.07 -0.75 -4.82 120.64 125.79 2pio n GLU 681 Ca 0.10 0.85 -0.38 0.00 -0.06 0.00 0.00 57.16 57.67 2pio n GLU 681 Cb 0.40 -2.69 0.04 0.00 -0.06 0.00 0.00 31.44 29.13 2pio n GLU 681 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2pio n PRO 682 N 5.69 0.77 -1.49 5.31 -0.02 -1.26 -5.03 135.00 138.96 2pio n PRO 682 Ca 0.20 0.30 -0.14 0.00 -2.02 0.00 0.00 63.50 61.84 2pio n PRO 682 Cb 0.32 -1.98 0.08 0.00 -0.02 0.00 0.00 33.50 31.90 2pio n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pio n GLY 683 N 1.47 0.10 3.74 -1.23 0.00 -1.26 -5.02 105.19 102.99 2pio n GLY 683 Ca 0.13 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2pio n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pio s VAL 684 N -1.88 2.26 -0.09 1.61 1.01 -1.26 -5.02 120.40 117.04 2pio s VAL 684 Ca 0.38 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.60 2pio s VAL 684 Cb -0.02 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2pio s VAL 684 CO 0.25 0.03 -0.21 -0.69 0.00 0.00 0.00 175.10 174.48 2pio s VAL 685 N 0.41 1.83 0.28 2.92 1.01 -1.26 -5.13 120.40 120.46 2pio s VAL 685 Ca 0.66 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2pio s VAL 685 Cb -0.46 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2pio s VAL 685 CO 0.41 0.51 0.46 0.00 0.00 0.00 0.00 175.10 176.48 2pio n ALA 687 N -1.32 2.41 -1.61 0.00 0.00 -1.26 -4.82 120.51 113.92 2pio n ALA 687 Ca -0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 53.44 52.92 2pio n ALA 687 Cb 0.55 -0.92 -0.00 0.00 0.00 0.00 0.00 19.45 19.09 2pio n ALA 687 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pio n GLY 688 N 1.28 0.38 3.74 0.00 0.00 -1.26 -4.49 105.19 104.85 2pio n GLY 688 Ca -0.05 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 2pio n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pio s HIS 689 N -2.06 3.91 -0.66 1.61 5.04 -1.26 -5.01 115.29 116.87 2pio s HIS 689 Ca 0.00 1.87 -0.23 0.00 -1.54 0.00 0.00 55.06 55.16 2pio s HIS 689 Cb 0.00 -3.02 0.07 0.00 0.04 0.00 0.00 32.58 29.67 2pio s HIS 689 CO 0.00 0.34 0.97 0.34 -2.34 0.00 0.00 174.74 174.05 2pio s ASP 690 N -0.68 6.18 0.32 9.88 -1.08 -1.26 -4.88 116.67 125.14 2pio s ASP 690 Ca 0.44 -0.96 0.24 0.00 -0.52 0.00 0.00 52.55 51.74 2pio s ASP 690 Cb -0.25 -2.42 0.45 0.00 -1.46 0.00 0.00 42.92 39.24 2pio s ASP 690 CO 0.31 -1.44 1.58 0.78 0.52 0.00 0.00 175.17 176.92 2pio h ASN 691 N 9.57 0.00 -0.04 -0.34 2.35 -1.95 -3.13 115.58 122.04 2pio h ASN 691 Ca -0.29 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2pio h ASN 691 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 2pio h ASN 691 CO 1.18 0.01 0.00 0.59 -1.65 0.00 0.00 177.43 177.56 2pio n ASN 692 N -2.71 0.21 -4.46 5.81 4.13 -1.26 -4.72 115.26 112.25 2pio n ASN 692 Ca 0.04 -1.92 -0.33 0.00 1.68 0.00 0.00 54.58 54.05 2pio n ASN 692 Cb 0.49 -0.02 -0.13 0.00 -1.54 0.00 0.00 39.78 38.58 2pio n ASN 692 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2pio s GLN 693 N -1.95 2.84 0.36 3.52 2.00 -1.19 -5.09 119.66 120.16 2pio s GLN 693 Ca 0.07 -0.67 -0.26 0.00 -2.00 0.00 0.00 55.36 52.50 2pio s GLN 693 Cb 0.03 -2.50 -0.12 0.00 0.80 0.00 0.00 33.01 31.22 2pio s GLN 693 CO 0.05 0.49 1.05 -2.30 -0.50 0.00 0.00 175.29 174.08 2pio n PRO 694 N 2.71 1.48 -2.09 1.67 -0.02 -1.26 -4.91 135.00 132.57 2pio n PRO 694 Ca -0.18 0.52 -0.38 0.00 -2.02 0.00 0.00 63.50 61.45 2pio n PRO 694 Cb 0.52 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2pio n PRO 694 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pio s ASP 695 N -0.60 5.99 0.13 2.55 1.01 -1.26 -5.03 116.67 119.45 2pio s ASP 695 Ca 0.60 2.51 -0.15 0.00 0.71 0.00 0.00 52.55 56.22 2pio s ASP 695 Cb -0.61 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 40.73 2pio s ASP 695 CO 0.59 -1.06 0.38 -0.94 0.21 0.00 0.00 175.17 174.36 2pio s SER 696 N -1.09 -0.19 0.04 0.27 1.04 -1.26 -5.06 113.70 107.44 2pio s SER 696 Ca 0.64 -0.38 -0.26 0.00 0.48 0.00 0.00 55.95 56.43 2pio s SER 696 Cb -0.34 0.47 -0.17 0.00 0.10 0.00 0.00 66.02 66.08 2pio s SER 696 CO 0.42 -0.86 1.45 0.15 0.98 0.00 0.00 173.24 175.38 2pio h PHE 697 N 2.40 -0.29 -0.35 5.02 3.57 -1.97 -2.29 116.94 123.02 2pio h PHE 697 Ca -0.34 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.23 2pio h PHE 697 Cb 1.25 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 40.02 2pio h PHE 697 CO 0.34 -0.03 -0.10 0.00 -2.23 0.00 0.00 178.31 176.28 2pio h ALA 698 N 0.19 0.21 -0.22 2.41 0.00 -1.87 -1.83 119.26 118.15 2pio h ALA 698 Ca -0.03 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2pio h ALA 698 Cb 0.39 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2pio h ALA 698 CO 0.05 -0.47 0.06 0.00 0.00 0.00 0.00 179.25 178.89 2pio h ALA 699 N 1.32 0.29 0.08 0.00 0.00 -1.88 -0.98 119.26 118.09 2pio h ALA 699 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pio h ALA 699 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2pio h ALA 699 CO -0.38 -0.06 -0.04 -0.07 0.00 0.00 0.00 179.25 178.70 2pio h LEU 700 N 0.18 -0.09 -0.89 0.00 3.38 -1.27 0.10 115.31 116.73 2pio h LEU 700 Ca 0.07 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2pio h LEU 700 Cb 0.27 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2pio h LEU 700 CO 0.00 -0.02 -0.19 -0.07 0.09 0.00 0.00 178.44 178.25 2pio h LEU 701 N -0.15 0.61 -0.88 1.67 -0.00 -1.39 0.33 115.31 115.50 2pio h LEU 701 Ca -0.01 -0.19 -0.08 0.00 -0.00 0.00 0.00 57.88 57.60 2pio h LEU 701 Cb 0.12 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.59 2pio h LEU 701 CO 0.02 0.80 0.00 0.28 -0.00 0.00 0.00 178.44 179.54 2pio h SER 702 N 0.55 0.80 -0.30 -0.43 0.02 -1.01 -1.05 113.55 112.11 2pio h SER 702 Ca 0.09 -0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 2pio h SER 702 Cb 0.63 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2pio h SER 702 CO 0.04 0.86 -0.22 0.28 -1.14 0.00 0.00 176.83 176.65 2pio h SER 703 N 0.77 0.72 -0.84 3.07 0.02 -0.43 -1.87 113.55 115.00 2pio h SER 703 Ca 0.15 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2pio h SER 703 Cb 0.46 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 2pio h SER 703 CO 0.02 1.01 0.50 -0.07 -1.14 0.00 0.00 176.83 177.15 2pio h LEU 704 N 0.43 1.02 -0.44 5.07 3.38 -0.74 -0.52 115.31 123.51 2pio h LEU 704 Ca 0.06 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2pio h LEU 704 Cb 0.77 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2pio h LEU 704 CO 0.06 0.79 0.06 0.78 0.09 0.00 0.00 178.44 180.22 2pio h ASN 705 N 1.16 0.71 -0.81 -0.43 2.35 -1.08 -0.85 115.58 116.63 2pio h ASN 705 Ca 0.30 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2pio h ASN 705 Cb -0.03 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.11 2pio h ASN 705 CO -0.06 0.80 0.39 -0.08 -1.65 0.00 0.00 177.43 176.83 2pio h GLU 706 N 0.59 1.17 -0.37 0.81 4.57 -0.99 -0.47 114.58 119.90 2pio h GLU 706 Ca 0.13 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 2pio h GLU 706 Cb 0.40 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2pio h GLU 706 CO 0.01 0.91 0.14 1.25 -1.18 0.00 0.00 179.01 180.14 2pio h LEU 707 N 1.16 0.46 -0.20 1.64 5.85 -0.77 -0.11 115.31 123.33 2pio h LEU 707 Ca 0.28 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 2pio h LEU 707 Cb 0.12 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2pio h LEU 707 CO -0.03 0.43 -0.03 1.23 -0.34 0.00 0.00 178.44 179.70 2pio h GLY 708 N 0.67 0.41 0.75 3.75 0.00 0.32 0.17 103.07 109.15 2pio h GLY 708 Ca 0.13 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.14 2pio h GLY 708 CO -0.01 0.30 -0.19 -2.09 0.00 0.00 0.00 176.54 174.55 2pio h GLU 709 N 0.12 -0.38 -0.32 4.80 4.57 -0.60 0.25 114.58 123.02 2pio h GLU 709 Ca 0.05 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2pio h GLU 709 Cb 0.45 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 2pio h GLU 709 CO 0.02 -0.25 0.13 0.00 -1.18 0.00 0.00 179.01 177.72 2pio h ARG 710 N -0.39 0.27 -0.74 1.92 3.08 -0.98 -2.70 114.38 114.83 2pio h ARG 710 Ca 0.01 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2pio h ARG 710 Cb 0.38 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2pio h ARG 710 CO -0.06 0.18 0.29 1.96 -1.07 0.00 0.00 179.97 181.27 2pio h GLN 711 N 0.27 1.10 -0.53 0.04 1.08 -0.38 -2.90 115.11 113.79 2pio h GLN 711 Ca 0.14 -0.19 0.09 0.00 -1.45 0.00 0.00 58.65 57.24 2pio h GLN 711 Cb 0.09 -0.18 -0.07 0.00 -0.05 0.00 0.00 27.48 27.27 2pio h GLN 711 CO -0.13 0.89 0.12 1.25 -0.95 0.00 0.00 178.83 180.01 2pio h LEU 712 N 1.07 0.02 -0.55 1.46 5.85 -0.18 0.43 115.31 123.42 2pio h LEU 712 Ca 0.25 0.09 0.10 0.00 0.84 0.00 0.00 57.88 59.16 2pio h LEU 712 Cb 0.20 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 2pio h LEU 712 CO -0.02 0.03 0.11 0.58 -0.34 0.00 0.00 178.44 178.80 2pio h VAL 713 N 0.26 0.67 -0.43 1.05 2.07 -1.35 0.35 116.25 118.87 2pio h VAL 713 Ca 0.27 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.59 2pio h VAL 713 Cb 0.36 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2pio h VAL 713 CO -0.34 0.04 -0.19 0.45 0.02 0.00 0.00 177.57 177.55 2pio h HIS 714 N 0.24 1.03 -0.92 1.57 3.86 -1.24 -2.75 115.15 116.93 2pio h HIS 714 Ca 0.28 -0.25 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2pio h HIS 714 Cb 0.40 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.59 2pio h HIS 714 CO -0.24 1.04 0.58 0.28 0.86 0.00 0.00 177.93 180.44 2pio h VAL 715 N 0.72 1.25 -0.28 2.45 2.07 -0.19 0.90 116.25 123.17 2pio h VAL 715 Ca 0.10 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2pio h VAL 715 Cb 0.76 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2pio h VAL 715 CO 0.06 0.25 0.07 0.58 0.02 0.00 0.00 177.57 178.55 2pio h VAL 716 N 1.27 1.21 -0.21 2.57 2.07 -0.87 0.39 116.25 122.69 2pio h VAL 716 Ca 0.33 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 2pio h VAL 716 Cb -0.09 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2pio h VAL 716 CO -0.07 0.23 -0.21 0.11 0.02 0.00 0.00 177.57 177.65 2pio h LYS 717 N 0.29 0.38 0.24 1.57 1.57 -1.19 -2.00 116.57 117.42 2pio h LYS 717 Ca 0.09 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2pio h LYS 717 Cb 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2pio h LYS 717 CO 0.00 0.58 -0.11 2.35 -0.57 0.00 0.00 179.45 181.69 2pio h TRP 718 N 0.34 -0.29 -0.42 -1.35 7.01 -0.55 -3.14 115.95 117.55 2pio h TRP 718 Ca 0.06 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.09 2pio h TRP 718 Cb 0.57 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.69 2pio h TRP 718 CO 0.01 0.02 0.19 0.00 -2.79 0.00 0.00 178.44 175.88 2pio h ALA 719 N 0.05 0.52 0.00 2.65 0.00 -0.82 -1.97 119.26 119.68 2pio h ALA 719 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pio h ALA 719 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2pio h ALA 719 CO 0.05 -0.17 0.00 0.87 0.00 0.00 0.00 179.25 180.00 2pio h LYS 720 N 0.39 0.00 -0.02 0.00 1.57 -1.43 -1.65 116.57 115.44 2pio h LYS 720 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2pio h LYS 720 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2pio h LYS 720 CO -0.15 0.00 -0.26 0.00 -0.57 0.00 0.00 179.45 178.48 2pio n ALA 721 N -2.00 3.07 -1.78 3.86 0.00 -0.76 -4.67 120.51 118.22 2pio n ALA 721 Ca -0.02 -0.59 -0.35 0.00 0.00 0.00 0.00 53.44 52.48 2pio n ALA 721 Cb 0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 2pio n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pio s LEU 722 N -2.30 3.84 0.00 0.00 1.43 -0.62 -4.94 118.68 116.10 2pio s LEU 722 Ca 0.24 2.07 -0.34 0.00 -1.03 0.00 0.00 54.13 55.07 2pio s LEU 722 Cb 0.19 -4.51 -0.13 0.00 0.03 0.00 0.00 46.19 41.77 2pio s LEU 722 CO 0.46 -0.95 1.76 -2.65 0.23 0.00 0.00 176.35 175.21 2pio n PRO 723 N -0.99 2.14 -0.80 1.29 -0.02 -1.26 -2.05 135.00 133.30 2pio n PRO 723 Ca 0.10 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2pio n PRO 723 Cb 0.51 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2pio n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pio n GLY 724 N 4.02 0.67 0.35 -1.23 0.00 -1.26 -4.87 105.19 102.86 2pio n GLY 724 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 2pio n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pio h PHE 725 N 0.00 0.86 0.00 1.61 3.57 -1.71 -0.86 116.94 120.41 2pio h PHE 725 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2pio h PHE 725 Cb 0.00 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.45 2pio h PHE 725 CO 0.00 0.50 0.00 0.54 -2.23 0.00 0.00 178.31 177.12 2pio n ARG 726 N -4.45 0.03 0.03 1.11 3.00 -1.26 -1.92 116.66 113.19 2pio n ARG 726 Ca 0.09 0.30 -0.06 0.00 -0.01 0.00 0.00 57.85 58.17 2pio n ARG 726 Cb 0.12 -1.50 0.14 0.00 0.00 0.00 0.00 32.46 31.22 2pio n ARG 726 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2pio h ASN 727 N 0.00 0.48 -3.97 0.55 2.35 -1.55 -3.44 115.58 109.99 2pio h ASN 727 Ca 0.00 -0.21 -0.56 0.00 -0.55 0.00 0.00 56.30 54.98 2pio h ASN 727 Cb 0.16 -0.13 0.16 0.00 0.05 0.00 0.00 38.32 38.56 2pio h ASN 727 CO 0.00 0.84 0.43 0.18 -1.65 0.00 0.00 177.43 177.23 2pio n LEU 728 N -4.02 5.45 -4.75 1.61 4.77 -0.81 -4.94 117.00 114.31 2pio n LEU 728 Ca -0.02 0.84 -0.36 0.00 -0.03 0.00 0.00 56.01 56.43 2pio n LEU 728 Cb 0.51 -1.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.12 2pio n LEU 728 CO 0.44 -1.17 0.86 -2.28 -1.33 0.00 0.00 177.39 173.91 2pio s HIS 729 N -1.41 2.42 0.34 -1.77 5.65 -1.26 -4.78 115.29 114.48 2pio s HIS 729 Ca 0.80 1.50 0.06 0.00 0.25 0.00 0.00 55.06 57.67 2pio s HIS 729 Cb -0.39 -3.53 0.72 0.00 -1.18 0.00 0.00 32.58 28.21 2pio s HIS 729 CO 0.43 -2.26 1.89 -0.39 -0.65 0.00 0.00 174.74 173.75 2pio h VAL 730 N 1.06 0.93 -0.03 0.89 -1.51 -1.93 -0.72 116.25 114.94 2pio h VAL 730 Ca -0.50 -0.27 -0.12 0.00 -1.23 0.00 0.00 66.70 64.57 2pio h VAL 730 Cb 1.29 0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 2pio h VAL 730 CO 0.56 0.15 -0.54 0.44 -1.23 0.00 0.00 177.57 176.94 2pio h ASP 731 N 0.80 0.10 1.03 4.19 3.32 -2.00 -2.82 116.42 121.03 2pio h ASP 731 Ca 0.41 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.27 2pio h ASP 731 Cb 0.50 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2pio h ASP 731 CO -0.18 0.62 -0.69 0.44 -1.72 0.00 0.00 179.24 177.71 2pio h ASP 732 N 0.07 0.00 -0.15 6.45 3.32 -1.58 -2.15 116.42 122.38 2pio h ASP 732 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2pio h ASP 732 Cb 0.98 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 2pio h ASP 732 CO 0.08 0.69 0.03 1.56 -1.72 0.00 0.00 179.24 179.88 2pio h GLN 733 N 0.00 0.25 -0.46 3.56 4.20 -0.99 -1.40 115.11 120.27 2pio h GLN 733 Ca -0.01 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 2pio h GLN 733 Cb 1.40 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 2pio h GLN 733 CO 0.09 0.42 -0.13 1.98 -0.67 0.00 0.00 178.83 180.53 2pio h MET 734 N 0.03 0.86 0.40 1.46 4.05 -1.53 -3.08 114.93 117.12 2pio h MET 734 Ca 0.05 -0.31 -0.02 0.00 -0.28 0.00 0.00 59.70 59.14 2pio h MET 734 Cb 0.29 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2pio h MET 734 CO 0.00 0.94 -0.19 0.00 0.23 0.00 0.00 176.91 177.89 2pio h ALA 735 N 1.08 -0.53 -0.36 0.39 0.00 -1.20 0.64 119.26 119.27 2pio h ALA 735 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pio h ALA 735 Cb 0.64 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2pio h ALA 735 CO 0.04 -0.77 0.24 -0.39 0.00 0.00 0.00 179.25 178.37 2pio h VAL 736 N -0.59 1.09 -0.10 0.00 -1.51 -1.31 -0.40 116.25 113.43 2pio h VAL 736 Ca -0.05 -0.17 -0.08 0.00 -1.23 0.00 0.00 66.70 65.17 2pio h VAL 736 Cb 0.44 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 2pio h VAL 736 CO 0.09 0.09 -0.26 0.40 -1.23 0.00 0.00 177.57 176.65 2pio h ILE 737 N 0.48 1.40 0.00 7.19 2.04 -1.43 -0.44 117.51 126.75 2pio h ILE 737 Ca 0.13 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 2pio h ILE 737 Cb -0.04 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2pio h ILE 737 CO -0.03 0.46 -0.08 1.56 0.00 0.00 0.00 178.15 180.06 2pio h GLN 738 N -0.09 0.00 0.00 2.37 4.20 -0.18 -1.66 115.11 119.75 2pio h GLN 738 Ca -0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.42 2pio h GLN 738 Cb 0.87 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.60 2pio h GLN 738 CO 0.06 0.08 -1.97 0.66 -0.67 0.00 0.00 178.83 176.98 2pio n TYR 739 N -3.74 0.48 0.98 2.96 4.01 -0.22 -4.52 117.16 117.10 2pio n TYR 739 Ca -0.02 0.17 0.11 0.00 -0.16 0.00 0.00 57.90 58.00 2pio n TYR 739 Cb 0.18 -1.03 0.01 0.00 -0.31 0.00 0.00 39.34 38.19 2pio n TYR 739 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2pio n SER 740 N -2.83 2.17 -0.30 7.72 3.41 -0.18 -4.58 113.62 119.03 2pio n SER 740 Ca -0.22 -1.58 0.05 0.00 -0.26 0.00 0.00 58.87 56.86 2pio n SER 740 Cb 1.02 0.40 0.20 0.00 -0.26 0.00 0.00 64.21 65.57 2pio n SER 740 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2pio h TRP 741 N 2.77 0.84 0.28 7.33 5.08 -1.53 -1.50 115.95 129.22 2pio h TRP 741 Ca 0.00 0.03 0.01 0.00 1.08 0.00 0.00 58.89 60.01 2pio h TRP 741 Cb 0.78 -0.25 -0.03 0.00 -3.00 0.00 0.00 29.16 26.66 2pio h TRP 741 CO 0.00 0.28 -0.37 1.98 -1.28 0.00 0.00 178.44 179.05 2pio h MET 742 N 0.73 -0.68 -0.72 0.12 4.05 -1.88 0.75 114.93 117.30 2pio h MET 742 Ca 0.44 0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.90 2pio h MET 742 Cb 0.51 0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.43 2pio h MET 742 CO -0.30 -0.45 0.44 0.78 0.23 0.00 0.00 176.91 177.61 2pio h GLY 743 N -0.71 1.05 0.68 1.39 0.00 -1.80 0.36 103.07 104.05 2pio h GLY 743 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.90 2pio h GLY 743 CO -0.12 0.42 -0.24 1.41 0.00 0.00 0.00 176.54 178.00 2pio h LEU 744 N 0.99 -0.66 -0.78 3.11 3.38 -0.97 0.14 115.31 120.51 2pio h LEU 744 Ca 0.26 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2pio h LEU 744 Cb -0.04 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2pio h LEU 744 CO -0.05 -0.35 0.42 0.24 0.09 0.00 0.00 178.44 178.79 2pio h MET 745 N -0.50 1.09 -0.55 1.13 2.86 -0.63 -1.64 114.93 116.69 2pio h MET 745 Ca 0.00 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 2pio h MET 745 Cb 0.48 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2pio h MET 745 CO -0.08 0.81 -0.07 0.28 1.06 0.00 0.00 176.91 178.92 2pio h VAL 746 N 1.08 1.27 -0.53 -2.22 2.07 -0.74 -0.07 116.25 117.11 2pio h VAL 746 Ca 0.27 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.46 2pio h VAL 746 Cb 0.04 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2pio h VAL 746 CO -0.04 0.43 -0.12 0.15 0.02 0.00 0.00 177.57 178.00 2pio h PHE 747 N 0.91 1.14 -0.08 1.57 3.57 -0.70 -0.59 116.94 122.76 2pio h PHE 747 Ca 0.15 -0.24 -0.17 0.00 3.53 0.00 0.00 57.97 61.24 2pio h PHE 747 Cb 0.62 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2pio h PHE 747 CO 0.04 1.06 -0.69 0.00 -2.23 0.00 0.00 178.31 176.49 2pio h ALA 748 N 0.94 0.66 -0.68 2.41 0.00 -1.19 -2.64 119.26 118.76 2pio h ALA 748 Ca 0.14 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2pio h ALA 748 Cb 0.69 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2pio h ALA 748 CO 0.05 0.75 0.24 1.98 0.00 0.00 0.00 179.25 182.27 2pio h MET 749 N 0.26 1.03 -0.87 0.00 1.85 -0.71 -1.29 114.93 115.20 2pio h MET 749 Ca -0.02 -0.21 -0.01 0.00 -0.61 0.00 0.00 59.70 58.85 2pio h MET 749 Cb 1.25 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 33.08 2pio h MET 749 CO 0.12 0.88 0.52 0.78 -0.40 0.00 0.00 176.91 178.80 2pio h GLY 750 N 0.97 1.28 0.90 1.39 0.00 -1.01 -1.29 103.07 105.31 2pio h GLY 750 Ca 0.22 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2pio h GLY 750 CO -0.01 0.52 0.07 -0.25 0.00 0.00 0.00 176.54 176.88 2pio h TRP 751 N 1.20 0.24 -0.91 5.60 2.91 -1.04 -0.87 115.95 123.08 2pio h TRP 751 Ca 0.31 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.36 2pio h TRP 751 Cb -0.03 -0.07 -0.06 0.00 -0.51 0.00 0.00 29.16 28.49 2pio h TRP 751 CO 0.00 0.28 0.58 0.00 -1.03 0.00 0.00 178.44 178.27 2pio h ARG 752 N 0.13 1.08 -0.81 2.65 3.08 -0.96 -0.04 114.38 119.51 2pio h ARG 752 Ca 0.05 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2pio h ARG 752 Cb 0.13 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2pio h ARG 752 CO -0.01 0.72 0.37 0.77 -1.07 0.00 0.00 179.97 180.75 2pio h SER 753 N 1.12 1.08 -0.09 7.04 0.02 -0.93 0.19 113.55 121.97 2pio h SER 753 Ca 0.37 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 2pio h SER 753 Cb 0.05 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 2pio h SER 753 CO -0.13 0.92 -0.07 0.15 -1.14 0.00 0.00 176.83 176.56 2pio h PHE 754 N 1.16 0.25 -0.02 3.45 3.57 -0.28 0.20 116.94 125.28 2pio h PHE 754 Ca 0.28 -0.07 -0.17 0.00 3.53 0.00 0.00 57.97 61.54 2pio h PHE 754 Cb 0.15 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2pio h PHE 754 CO 0.02 0.61 -0.74 1.79 -2.23 0.00 0.00 178.31 177.75 2pio h THR 755 N -0.18 1.46 0.08 4.41 1.35 -0.93 -1.23 112.91 117.88 2pio h THR 755 Ca 0.02 -2.36 -0.25 0.00 -0.55 0.00 0.00 66.41 63.27 2pio h THR 755 Cb 0.55 2.27 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 2pio h THR 755 CO 0.02 0.69 -1.29 0.78 -0.25 0.00 0.00 175.52 175.46 2pio h ASN 756 N 0.11 0.28 0.00 5.36 -0.26 -0.71 -3.42 115.58 116.94 2pio h ASN 756 Ca -0.02 -0.81 -0.08 0.00 -0.56 0.00 0.00 56.30 54.83 2pio h ASN 756 Cb 1.31 -0.09 -0.18 0.00 -1.06 0.00 0.00 38.32 38.30 2pio h ASN 756 CO 0.11 1.55 -0.71 1.33 -1.06 0.00 0.00 177.43 178.65 2pio n VAL 757 N -4.06 0.93 -4.31 2.81 0.24 -0.73 -5.00 118.33 108.22 2pio n VAL 757 Ca -0.25 -1.80 -0.35 0.00 -2.04 0.00 0.00 64.34 59.90 2pio n VAL 757 Cb 0.83 0.41 -0.06 0.00 -1.47 0.00 0.00 33.84 33.55 2pio n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2pio n ASN 758 N -0.27 -1.15 -0.60 -1.34 4.05 -0.46 0.36 115.26 115.84 2pio n ASN 758 Ca 0.11 -1.16 -0.08 0.00 0.45 0.00 0.00 54.58 53.90 2pio n ASN 758 Cb 0.90 -2.11 -0.03 0.00 1.23 0.00 0.00 39.78 39.76 2pio n ASN 758 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2pio n SER 759 N -2.72 -5.13 -0.08 1.20 7.64 0.64 -4.86 113.62 110.31 2pio n SER 759 Ca -0.09 0.20 -0.02 0.00 1.01 0.00 0.00 58.87 59.97 2pio n SER 759 Cb 0.57 -3.32 0.22 0.00 -1.01 0.00 0.00 64.21 60.67 2pio n SER 759 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2pio h ARG 760 N 0.12 0.71 -4.40 1.43 -0.00 -0.31 -3.45 114.38 108.48 2pio h ARG 760 Ca -0.16 -0.15 -0.23 0.00 -0.50 0.00 0.00 59.98 58.94 2pio h ARG 760 Cb 0.91 -0.10 -0.13 0.00 0.00 0.00 0.00 29.97 30.64 2pio h ARG 760 CO 0.24 0.68 -0.48 -1.64 0.00 0.00 0.00 179.97 178.77 2pio s MET 761 N -5.08 1.37 -0.39 0.04 -1.94 -1.26 -4.92 119.30 107.12 2pio s MET 761 Ca -0.09 -1.60 -0.20 0.00 -1.71 0.00 0.00 55.69 52.10 2pio s MET 761 Cb 0.15 0.33 0.01 0.00 2.01 0.00 0.00 34.83 37.33 2pio s MET 761 CO 0.79 -0.49 0.59 -0.51 -0.01 0.00 0.00 175.02 175.39 2pio s LEU 762 N -3.16 4.42 -1.18 -0.03 1.43 -0.74 -4.76 118.68 114.65 2pio s LEU 762 Ca 0.35 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.18 2pio s LEU 762 Cb 0.05 -2.68 0.19 0.00 0.03 0.00 0.00 46.19 43.78 2pio s LEU 762 CO 0.13 -0.63 1.35 -0.47 0.23 0.00 0.00 176.35 176.96 2pio s TYR 763 N 2.63 3.67 0.11 0.29 6.14 -1.26 -0.14 117.35 128.79 2pio s TYR 763 Ca 0.21 -2.25 -0.15 0.00 0.64 0.00 0.00 57.07 55.52 2pio s TYR 763 Cb -0.15 -4.21 -0.04 0.00 0.42 0.00 0.00 41.96 37.98 2pio s TYR 763 CO 0.16 -1.30 1.53 0.74 0.64 0.00 0.00 175.55 177.32 2pio h PHE 764 N 7.07 0.73 -3.03 4.97 0.04 -1.76 -3.41 116.94 121.55 2pio h PHE 764 Ca 0.28 -0.15 0.03 0.00 2.80 0.00 0.00 57.97 60.94 2pio h PHE 764 Cb 0.88 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.77 2pio h PHE 764 CO 1.03 0.80 0.20 0.00 -0.60 0.00 0.00 178.31 179.74 2pio s ALA 765 N -4.85 -1.29 0.25 2.45 0.00 -1.02 -4.98 121.76 112.31 2pio s ALA 765 Ca -0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 2pio s ALA 765 Cb 0.09 0.87 0.46 0.00 0.00 0.00 0.00 23.12 24.54 2pio s ALA 765 CO 0.79 -0.94 1.76 -1.35 0.00 0.00 0.00 175.76 176.02 2pio h PRO 766 N 2.02 0.58 -0.64 0.00 0.11 -1.92 -0.33 132.00 131.82 2pio h PRO 766 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2pio h PRO 766 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pio h PRO 766 CO 0.29 0.38 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 2pio n ASP 767 N -4.88 4.22 -3.11 -2.05 5.75 -1.26 -4.59 116.55 110.63 2pio n ASP 767 Ca 0.15 -2.44 -0.18 0.00 -0.01 0.00 0.00 54.79 52.30 2pio n ASP 767 Cb 0.38 -0.55 -0.05 0.00 -1.03 0.00 0.00 41.12 39.87 2pio n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2pio n LEU 768 N 0.84 -1.51 -4.52 -2.12 7.94 -0.13 -4.48 117.00 113.01 2pio n LEU 768 Ca 0.22 -3.89 -0.36 0.00 -1.11 0.00 0.00 56.01 50.87 2pio n LEU 768 Cb 0.82 0.66 -0.11 0.00 0.53 0.00 0.00 43.42 45.31 2pio n LEU 768 CO 0.21 1.93 -0.26 -0.69 -1.11 0.00 0.00 177.39 177.47 2pio s VAL 769 N 0.16 4.56 -0.23 1.96 1.01 -1.24 -2.19 120.40 124.43 2pio s VAL 769 Ca 0.32 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 2pio s VAL 769 Cb 0.07 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2pio s VAL 769 CO -0.15 0.37 0.51 -0.36 0.00 0.00 0.00 175.10 175.48 2pio s PHE 770 N 1.17 3.32 0.58 5.22 0.40 0.80 -4.94 117.98 124.53 2pio s PHE 770 Ca 0.05 0.70 0.10 0.00 -0.60 0.00 0.00 56.93 57.17 2pio s PHE 770 Cb -0.14 -2.69 0.09 0.00 0.51 0.00 0.00 43.02 40.79 2pio s PHE 770 CO 0.04 -0.19 0.79 0.54 0.70 0.00 0.00 175.22 177.10 2pio s ASN 771 N 1.34 5.06 0.34 1.36 2.20 -1.26 -1.80 114.94 122.18 2pio s ASN 771 Ca 0.22 -0.88 0.06 0.00 -0.94 0.00 0.00 52.86 51.32 2pio s ASN 771 Cb -0.15 0.34 0.72 0.00 -2.00 0.00 0.00 41.25 40.16 2pio s ASN 771 CO 0.09 -1.36 1.90 -0.33 -2.94 0.00 0.00 177.10 174.47 2pio h GLU 772 N 0.18 0.78 -0.05 3.55 4.39 -1.97 -0.43 114.58 121.02 2pio h GLU 772 Ca -0.30 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2pio h GLU 772 Cb 1.29 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2pio h GLU 772 CO 0.41 0.52 0.03 -0.92 -1.16 0.00 0.00 179.01 177.89 2pio h TYR 773 N 0.80 0.06 -0.47 4.33 3.20 -1.99 -1.80 116.97 121.10 2pio h TYR 773 Ca 0.40 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.18 2pio h TYR 773 Cb 0.45 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2pio h TYR 773 CO -0.00 0.05 -0.07 0.00 -1.64 0.00 0.00 178.16 176.50 2pio h ARG 774 N 0.06 0.83 -0.78 1.82 3.08 -1.78 0.12 114.38 117.72 2pio h ARG 774 Ca 0.02 -0.26 0.10 0.00 0.07 0.00 0.00 59.98 59.90 2pio h ARG 774 Cb 0.00 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 29.90 2pio h ARG 774 CO -0.00 0.88 0.43 0.52 -1.07 0.00 0.00 179.97 180.72 2pio h MET 775 N 0.76 0.70 -0.09 0.04 2.86 -0.83 0.14 114.93 118.50 2pio h MET 775 Ca 0.13 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 2pio h MET 775 Cb 0.56 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2pio h MET 775 CO 0.03 0.46 -0.28 1.25 1.06 0.00 0.00 176.91 179.44 2pio h HIS 776 N 0.72 0.46 0.00 -0.22 -0.00 -0.95 -2.90 115.15 112.25 2pio h HIS 776 Ca 0.38 -0.18 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 2pio h HIS 776 Cb 0.38 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.71 2pio h HIS 776 CO -0.08 0.89 -0.03 -0.22 -0.00 0.00 0.00 177.93 178.49 2pio h LYS 777 N -0.11 0.00 0.00 5.26 1.63 -0.21 -1.83 116.57 121.31 2pio h LYS 777 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2pio h LYS 777 Cb 0.90 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2pio h LYS 777 CO 0.06 0.03 0.00 -1.13 -3.45 0.00 0.00 179.45 174.96 2pio n SER 778 N -3.27 0.00 -1.69 4.20 3.41 0.45 -4.20 113.62 112.51 2pio n SER 778 Ca -0.02 0.13 -0.20 0.00 -0.26 0.00 0.00 58.87 58.52 2pio n SER 778 Cb 0.18 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.69 2pio n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pio n ARG 779 N -1.37 -1.45 -2.73 4.33 1.74 -0.69 -4.82 116.66 111.67 2pio n ARG 779 Ca 0.11 1.18 -0.05 0.00 -0.77 0.00 0.00 57.85 58.31 2pio n ARG 779 Cb 0.27 -5.59 0.04 0.00 -1.02 0.00 0.00 32.46 26.16 2pio n ARG 779 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pio n MET 780 N -2.51 1.53 -0.12 5.56 0.00 -1.25 -4.93 117.12 115.40 2pio n MET 780 Ca -0.21 -3.42 -0.08 0.00 0.00 0.00 0.00 57.70 53.99 2pio n MET 780 Cb 0.67 -1.46 -0.00 0.00 0.00 0.00 0.00 33.22 32.43 2pio n MET 780 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2pio h TYR 781 N 2.79 0.50 -0.82 3.17 5.03 -1.80 -1.23 116.97 124.61 2pio h TYR 781 Ca -0.10 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.25 2pio h TYR 781 Cb 1.23 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 39.29 2pio h TYR 781 CO 0.51 0.32 0.53 0.66 -1.32 0.00 0.00 178.16 178.87 2pio h SER 782 N 0.52 0.88 -0.53 -2.11 4.64 -1.92 0.10 113.55 115.14 2pio h SER 782 Ca 0.14 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.39 2pio h SER 782 Cb -0.04 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 2pio h SER 782 CO -0.03 0.61 0.06 1.56 -0.87 0.00 0.00 176.83 178.16 2pio h GLN 783 N 1.03 0.89 -0.78 4.77 7.50 -1.90 -1.85 115.11 124.77 2pio h GLN 783 Ca 0.32 -0.25 0.00 0.00 0.50 0.00 0.00 58.65 59.22 2pio h GLN 783 Cb -0.01 -0.10 -0.04 0.00 0.05 0.00 0.00 27.48 27.38 2pio h GLN 783 CO -0.11 0.88 0.50 0.00 -1.50 0.00 0.00 178.83 178.60 2pio h VAL 785 N 1.06 1.18 -0.14 0.00 2.07 -0.72 0.12 116.25 119.82 2pio h VAL 785 Ca 0.28 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.46 2pio h VAL 785 Cb -0.08 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.65 2pio h VAL 785 CO -0.06 0.20 -0.03 -0.09 0.02 0.00 0.00 177.57 177.61 2pio h ARG 786 N 1.09 0.00 -0.40 1.57 9.65 -0.46 -0.94 114.38 124.89 2pio h ARG 786 Ca 0.32 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.13 2pio h ARG 786 Cb -0.07 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 2pio h ARG 786 CO -0.09 0.00 -0.03 0.52 2.80 0.00 0.00 179.97 183.17 2pio h MET 787 N 0.00 0.65 -0.15 0.20 2.86 -0.27 -2.28 114.93 115.95 2pio h MET 787 Ca 0.07 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 2pio h MET 787 Cb 0.10 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2pio h MET 787 CO -0.15 0.69 -0.44 -0.09 1.06 0.00 0.00 176.91 177.99 2pio h ARG 788 N 0.61 0.35 -0.56 1.72 2.43 -0.42 -2.01 114.38 116.50 2pio h ARG 788 Ca 0.12 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 2pio h ARG 788 Cb 0.43 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2pio h ARG 788 CO 0.02 0.73 0.08 1.25 -1.51 0.00 0.00 179.97 180.54 2pio h HIS 789 N 0.29 0.95 -0.54 2.20 2.76 -0.79 -0.34 115.15 119.69 2pio h HIS 789 Ca 0.02 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.02 2pio h HIS 789 Cb 0.89 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 2pio h HIS 789 CO 0.02 0.83 0.14 1.25 -1.30 0.00 0.00 177.93 178.87 2pio h LEU 790 N 0.86 0.80 -0.80 0.26 5.85 -1.12 -2.33 115.31 118.83 2pio h LEU 790 Ca 0.17 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2pio h LEU 790 Cb 0.40 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2pio h LEU 790 CO 0.01 0.82 0.52 -1.28 -0.34 0.00 0.00 178.44 178.17 2pio h SER 791 N 0.75 0.88 -0.90 1.25 0.87 -0.75 -2.05 113.55 113.59 2pio h SER 791 Ca 0.17 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 2pio h SER 791 Cb 0.32 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 2pio h SER 791 CO -0.00 0.62 0.59 1.56 -0.53 0.00 0.00 176.83 179.07 2pio h GLN 792 N 1.03 1.11 -0.83 2.24 4.20 -0.65 -2.27 115.11 119.94 2pio h GLN 792 Ca 0.31 -0.07 0.11 0.00 0.06 0.00 0.00 58.65 59.06 2pio h GLN 792 Cb -0.05 -0.25 -0.06 0.00 0.30 0.00 0.00 27.48 27.43 2pio h GLN 792 CO -0.09 0.73 0.54 0.93 -0.67 0.00 0.00 178.83 180.27 2pio h GLU 793 N 1.14 0.71 -0.58 1.46 4.39 -0.84 -0.10 114.58 120.74 2pio h GLU 793 Ca 0.36 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 60.09 2pio h GLU 793 Cb 0.01 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 2pio h GLU 793 CO -0.11 0.47 0.39 0.74 -1.16 0.00 0.00 179.01 179.34 2pio h PHE 794 N 0.73 0.49 0.00 4.33 0.04 -1.39 0.67 116.94 121.81 2pio h PHE 794 Ca 0.39 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.14 2pio h PHE 794 Cb 0.52 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 2pio h PHE 794 CO -0.00 0.25 -0.18 0.78 -0.60 0.00 0.00 178.31 178.56 2pio h GLY 795 N 0.48 0.01 1.23 -1.45 0.00 -1.16 -0.77 103.07 101.40 2pio h GLY 795 Ca 0.26 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.66 2pio h GLY 795 CO -0.07 0.01 0.32 1.49 0.00 0.00 0.00 176.54 178.29 2pio h TRP 796 N -0.99 0.27 -0.02 5.60 6.55 -0.80 -0.63 115.95 125.93 2pio h TRP 796 Ca -0.05 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.80 2pio h TRP 796 Cb 1.05 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 29.26 2pio h TRP 796 CO 0.26 0.13 -0.23 1.28 -1.05 0.00 0.00 178.44 178.82 2pio n LEU 797 N -4.46 2.10 -3.67 -4.49 4.77 0.19 -4.97 117.00 106.47 2pio n LEU 797 Ca 0.07 -0.72 -0.24 0.00 -0.03 0.00 0.00 56.01 55.09 2pio n LEU 797 Cb 0.35 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 2pio n LEU 797 CO 0.35 0.37 -0.07 0.00 -1.33 0.00 0.00 177.39 176.70 2pio n GLN 798 N 0.33 -3.39 -2.10 3.23 6.02 -0.24 -4.90 117.38 116.32 2pio n GLN 798 Ca 0.12 0.58 -0.41 0.00 -0.01 0.00 0.00 57.00 57.28 2pio n GLN 798 Cb 0.48 -4.90 -0.03 0.00 1.02 0.00 0.00 30.24 26.81 2pio n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pio s ILE 799 N -3.61 2.90 0.40 5.09 -1.09 -0.32 -5.02 121.20 119.55 2pio s ILE 799 Ca 0.19 0.75 -0.08 0.00 -2.23 0.00 0.00 60.65 59.28 2pio s ILE 799 Cb -0.05 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 2pio s ILE 799 CO 0.82 0.12 0.73 0.42 -1.23 0.00 0.00 174.94 175.80 2pio s THR 800 N 0.04 4.87 0.47 2.92 -4.23 -1.26 -4.93 115.64 113.52 2pio s THR 800 Ca 0.58 0.39 0.15 0.00 -1.18 0.00 0.00 61.69 61.63 2pio s THR 800 Cb -0.39 -3.77 0.31 0.00 1.34 0.00 0.00 72.50 69.99 2pio s THR 800 CO 0.41 -0.56 2.05 -0.65 -0.54 0.00 0.00 174.62 175.33 2pio h PRO 801 N 1.09 0.25 0.02 3.99 0.11 -1.99 0.86 132.00 136.33 2pio h PRO 801 Ca -0.47 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.40 2pio h PRO 801 Cb 1.19 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.27 2pio h PRO 801 CO 0.64 0.17 -0.89 1.96 -0.21 0.00 0.00 178.00 179.66 2pio h GLN 802 N 0.26 0.58 -0.71 1.05 7.50 -1.99 -1.26 115.11 120.53 2pio h GLN 802 Ca 0.17 -0.64 -0.07 0.00 0.50 0.00 0.00 58.65 58.61 2pio h GLN 802 Cb 0.35 0.19 -0.03 0.00 0.05 0.00 0.00 27.48 28.03 2pio h GLN 802 CO -0.03 1.25 0.19 0.93 -1.50 0.00 0.00 178.83 179.66 2pio h GLU 803 N 0.17 1.13 0.22 1.46 5.08 -1.81 0.00 114.58 120.84 2pio h GLU 803 Ca -0.12 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2pio h GLU 803 Cb 1.58 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2pio h GLU 803 CO 0.18 0.98 -0.21 0.35 -1.00 0.00 0.00 179.01 179.31 2pio h PHE 804 N 1.07 -0.56 -0.67 4.33 3.57 -0.82 0.14 116.94 124.00 2pio h PHE 804 Ca 0.23 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.82 2pio h PHE 804 Cb 0.35 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 2pio h PHE 804 CO 0.03 -0.32 0.32 -0.07 -2.23 0.00 0.00 178.31 176.04 2pio h LEU 805 N -0.46 0.41 -0.55 0.59 3.38 -0.88 0.11 115.31 117.92 2pio h LEU 805 Ca -0.00 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 2pio h LEU 805 Cb 0.43 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2pio h LEU 805 CO -0.05 0.24 -0.41 0.00 0.09 0.00 0.00 178.44 178.31 2pio h MET 807 N 0.58 0.95 -0.32 0.00 2.86 -0.16 -2.38 114.93 116.46 2pio h MET 807 Ca 0.05 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 2pio h MET 807 Cb 0.95 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 2pio h MET 807 CO 0.09 1.00 0.11 -0.22 1.06 0.00 0.00 176.91 178.95 2pio h LYS 808 N 0.85 0.49 -0.76 1.72 3.64 -0.87 -1.72 116.57 119.92 2pio h LYS 808 Ca 0.14 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2pio h LYS 808 Cb 0.65 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.34 2pio h LYS 808 CO 0.04 0.52 0.46 0.00 -2.27 0.00 0.00 179.45 178.21 2pio h ALA 809 N 0.95 1.03 0.00 5.00 0.00 -1.35 -1.19 119.26 123.70 2pio h ALA 809 Ca 0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2pio h ALA 809 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pio h ALA 809 CO -0.01 0.19 -0.12 1.25 0.00 0.00 0.00 179.25 180.56 2pio h LEU 810 N 0.85 0.00 -1.36 0.00 5.85 -0.98 -2.33 115.31 117.35 2pio h LEU 810 Ca 0.33 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.99 2pio h LEU 810 Cb 0.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2pio h LEU 810 CO -0.16 0.12 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.74 2pio h LEU 811 N 0.00 0.10 -2.05 2.25 3.38 -0.31 -2.41 115.31 116.27 2pio h LEU 811 Ca -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2pio h LEU 811 Cb 0.26 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2pio h LEU 811 CO 0.02 0.36 -0.09 0.25 0.09 0.00 0.00 178.44 179.07 2pio h LEU 812 N 0.09 0.00 -3.75 1.67 5.85 -1.38 -2.65 115.31 115.14 2pio h LEU 812 Ca 0.01 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.23 2pio h LEU 812 Cb 0.50 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.23 2pio h LEU 812 CO 0.04 0.09 -0.04 0.49 -0.34 0.00 0.00 178.44 178.67 2pio n PHE 813 N -3.60 2.55 -1.20 1.25 3.72 -0.91 -4.65 117.46 114.62 2pio n PHE 813 Ca -0.02 -2.34 0.08 0.00 -0.05 0.00 0.00 57.45 55.12 2pio n PHE 813 Cb 0.21 -0.77 0.17 0.00 -0.94 0.00 0.00 39.48 38.15 2pio n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2pio n SER 814 N -0.89 2.33 -3.58 4.37 7.64 -1.00 -4.95 113.62 117.54 2pio n SER 814 Ca 0.48 -3.30 -0.01 0.00 1.01 0.00 0.00 58.87 57.06 2pio n SER 814 Cb 0.91 -0.47 -0.04 0.00 -1.01 0.00 0.00 64.21 63.60 2pio n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2pio s ILE 815 N -2.97 -0.98 0.05 0.44 2.07 -1.26 -0.60 121.20 117.95 2pio s ILE 815 Ca 0.35 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.57 2pio s ILE 815 Cb 0.31 -0.98 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 2pio s ILE 815 CO 0.01 0.00 0.00 0.27 -1.91 0.00 0.00 174.94 173.32 2pio s ILE 816 N 2.88 0.19 0.27 2.00 -4.36 -0.81 -4.83 121.20 116.55 2pio s ILE 816 Ca -0.02 -1.60 -0.30 0.00 -0.26 0.00 0.00 60.65 58.47 2pio s ILE 816 Cb -0.12 -1.33 -0.10 0.00 1.25 0.00 0.00 42.46 42.15 2pio s ILE 816 CO -0.19 -0.88 1.45 -2.16 0.24 0.00 0.00 174.94 173.40 2pio s PRO 817 N -3.58 4.24 0.48 0.37 0.04 -1.26 -2.00 135.00 133.29 2pio s PRO 817 Ca 0.04 2.35 0.27 0.00 0.04 0.00 0.00 61.00 63.70 2pio s PRO 817 Cb 0.05 -3.08 1.34 0.00 0.04 0.00 0.00 34.50 32.85 2pio s PRO 817 CO -0.09 -0.43 1.83 0.28 0.04 0.00 0.00 177.00 178.63 2pio h VAL 818 N 3.42 0.53 0.00 -0.36 2.07 -1.04 0.70 116.25 121.57 2pio h VAL 818 Ca -0.47 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2pio h VAL 818 Cb 1.22 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2pio h VAL 818 CO 0.76 0.03 0.00 0.47 0.02 0.00 0.00 177.57 178.85 2pio n ASP 819 N -4.37 0.00 0.00 0.57 10.43 -1.26 -5.01 116.55 116.90 2pio n ASP 819 Ca 0.22 -0.52 0.00 0.00 2.57 0.00 0.00 54.79 57.06 2pio n ASP 819 Cb 0.98 -0.12 0.00 0.00 1.84 0.00 0.00 41.12 43.82 2pio n ASP 819 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pio n GLY 820 N 0.73 -0.59 3.98 0.44 0.00 0.24 -5.02 105.19 104.98 2pio n GLY 820 Ca 0.17 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.25 2pio n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pio s LEU 821 N -1.83 3.54 0.18 0.99 1.43 -1.26 -4.56 118.68 117.17 2pio s LEU 821 Ca 0.00 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 2pio s LEU 821 Cb 0.00 -2.42 0.16 0.00 0.03 0.00 0.00 46.19 43.97 2pio s LEU 821 CO 0.00 -0.79 1.73 0.50 0.23 0.00 0.00 176.35 178.02 2pio h LYS 822 N 0.69 0.25 -2.11 1.70 1.63 -1.95 -3.20 116.57 113.59 2pio h LYS 822 Ca -0.39 -0.02 -0.58 0.00 -0.85 0.00 0.00 60.65 58.81 2pio h LYS 822 Cb 1.28 -0.06 -0.41 0.00 -0.60 0.00 0.00 32.23 32.44 2pio h LYS 822 CO 0.48 0.17 -0.83 0.09 -3.45 0.00 0.00 179.45 175.90 2pio n ASN 823 N -5.08 2.23 -0.32 4.20 5.03 -1.26 -4.95 115.26 115.11 2pio n ASN 823 Ca 0.05 -3.14 0.20 0.00 0.87 0.00 0.00 54.58 52.56 2pio n ASN 823 Cb 0.22 -0.65 0.46 0.00 -1.02 0.00 0.00 39.78 38.79 2pio n ASN 823 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2pio h GLN 824 N 3.95 0.47 -0.80 3.52 1.08 -1.95 -2.43 115.11 118.95 2pio h GLN 824 Ca 0.14 -0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.42 2pio h GLN 824 Cb 0.75 -0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 28.00 2pio h GLN 824 CO 0.67 0.31 0.43 -0.22 -0.95 0.00 0.00 178.83 179.06 2pio h LYS 825 N 0.48 0.66 -0.30 1.46 3.64 -1.92 0.30 116.57 120.89 2pio h LYS 825 Ca 0.59 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.81 2pio h LYS 825 Cb 1.34 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2pio h LYS 825 CO -0.32 0.44 -0.27 0.74 -2.27 0.00 0.00 179.45 177.76 2pio h PHE 826 N 0.68 0.85 -0.28 1.91 0.04 -1.83 -2.57 116.94 115.74 2pio h PHE 826 Ca 0.41 -0.25 0.02 0.00 2.80 0.00 0.00 57.97 60.95 2pio h PHE 826 Cb 0.47 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 2pio h PHE 826 CO -0.09 0.99 0.12 0.35 -0.60 0.00 0.00 178.31 179.09 2pio h PHE 827 N 0.46 0.23 -0.98 -0.55 3.04 -1.44 0.07 116.94 117.77 2pio h PHE 827 Ca 0.05 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.05 2pio h PHE 827 Cb 0.84 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 39.23 2pio h PHE 827 CO 0.07 0.12 0.63 -0.44 -2.02 0.00 0.00 178.31 176.67 2pio h ASP 828 N 0.27 1.05 -0.44 0.41 3.32 -0.92 0.45 116.42 120.56 2pio h ASP 828 Ca 0.12 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 2pio h ASP 828 Cb 0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2pio h ASP 828 CO -0.10 0.71 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.03 2pio h GLU 829 N 1.21 0.79 -0.48 3.56 4.81 -1.00 -2.00 114.58 121.47 2pio h GLU 829 Ca 0.39 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2pio h GLU 829 Cb 0.03 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2pio h GLU 829 CO -0.13 0.86 0.20 1.25 -0.73 0.00 0.00 179.01 180.46 2pio h LEU 830 N 0.63 0.66 -0.68 1.64 5.85 -0.28 -1.93 115.31 121.20 2pio h LEU 830 Ca 0.12 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 2pio h LEU 830 Cb 0.52 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2pio h LEU 830 CO 0.03 0.65 0.11 -0.09 -0.34 0.00 0.00 178.44 178.79 2pio h ARG 831 N 0.64 1.12 -0.55 1.25 2.43 -0.87 -1.75 114.38 116.66 2pio h ARG 831 Ca 0.16 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 2pio h ARG 831 Cb 0.18 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2pio h ARG 831 CO -0.01 1.03 0.22 1.98 -1.51 0.00 0.00 179.97 181.67 2pio h MET 832 N 1.05 0.79 -0.16 0.20 4.05 -1.16 -1.58 114.93 118.11 2pio h MET 832 Ca 0.21 -0.12 -0.21 0.00 -0.28 0.00 0.00 59.70 59.29 2pio h MET 832 Cb 0.45 -0.14 0.01 0.00 -0.80 0.00 0.00 31.60 31.12 2pio h MET 832 CO 0.01 0.65 -0.73 -0.91 0.23 0.00 0.00 176.91 176.16 2pio h ASN 833 N 0.78 0.93 0.30 1.39 2.35 -0.90 -1.67 115.58 118.76 2pio h ASN 833 Ca 0.19 -0.62 -0.09 0.00 -0.55 0.00 0.00 56.30 55.23 2pio h ASN 833 Cb 0.16 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2pio h ASN 833 CO -0.02 1.40 -0.36 1.88 -1.65 0.00 0.00 177.43 178.68 2pio h TYR 834 N 0.52 0.11 -0.26 1.19 -1.99 -1.12 -0.71 116.97 114.71 2pio h TYR 834 Ca -0.05 -0.03 -0.18 0.00 2.00 0.00 0.00 58.73 60.48 2pio h TYR 834 Cb 1.36 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 40.07 2pio h TYR 834 CO 0.09 0.45 -0.54 0.82 -0.00 0.00 0.00 178.16 178.98 2pio h ILE 835 N 0.09 1.29 -0.50 -2.88 2.04 -1.24 -2.43 117.51 113.88 2pio h ILE 835 Ca 0.01 -1.74 -0.02 0.00 1.00 0.00 0.00 64.86 64.11 2pio h ILE 835 Cb 0.69 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 2pio h ILE 835 CO 0.05 0.56 0.24 0.50 0.00 0.00 0.00 178.15 179.50 2pio h LYS 836 N 0.59 0.70 -0.33 2.37 3.64 -0.64 -2.20 116.57 120.70 2pio h LYS 836 Ca 0.01 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.17 2pio h LYS 836 Cb 1.13 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2pio h LYS 836 CO 0.11 0.54 -0.37 0.93 -2.27 0.00 0.00 179.45 178.39 2pio h GLU 837 N 0.70 0.76 -0.59 1.90 4.39 -0.93 -2.25 114.58 118.58 2pio h GLU 837 Ca 0.18 -0.39 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 2pio h GLU 837 Cb 0.07 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2pio h GLU 837 CO -0.02 1.01 0.22 1.25 -1.16 0.00 0.00 179.01 180.31 2pio h LEU 838 N 0.63 0.78 -0.51 1.33 5.85 -0.92 -0.49 115.31 121.99 2pio h LEU 838 Ca 0.06 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 2pio h LEU 838 Cb 0.92 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2pio h LEU 838 CO 0.08 0.71 -0.13 0.44 -0.34 0.00 0.00 178.44 179.20 2pio h ASP 839 N 0.84 0.99 0.09 1.25 3.32 -1.29 -1.63 116.42 120.00 2pio h ASP 839 Ca 0.20 -0.36 0.01 0.00 0.02 0.00 0.00 57.03 56.89 2pio h ASP 839 Cb 0.19 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2pio h ASP 839 CO -0.02 1.13 -0.11 0.03 -1.72 0.00 0.00 179.24 178.56 2pio h ARG 840 N 0.85 -0.23 -0.49 3.56 3.08 -0.74 0.57 114.38 120.98 2pio h ARG 840 Ca 0.13 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.27 2pio h ARG 840 Cb 0.70 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.74 2pio h ARG 840 CO 0.05 -0.15 0.14 0.82 -1.07 0.00 0.00 179.97 179.76 2pio h ILE 841 N -0.23 0.78 -0.51 2.04 2.04 -1.00 0.12 117.51 120.75 2pio h ILE 841 Ca 0.01 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 2pio h ILE 841 Cb 0.23 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2pio h ILE 841 CO -0.04 0.05 0.12 0.40 0.00 0.00 0.00 178.15 178.68 2pio h ILE 842 N 0.29 1.24 -0.65 -0.67 2.04 -0.86 -3.16 117.51 115.74 2pio h ILE 842 Ca 0.24 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 2pio h ILE 842 Cb 0.29 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2pio h ILE 842 CO -0.28 0.31 0.22 0.00 0.00 0.00 0.00 178.15 178.39 2pio h ALA 843 N 1.00 0.85 -2.43 1.87 0.00 0.10 -3.40 119.26 117.25 2pio h ALA 843 Ca 0.16 -0.20 -0.52 0.00 0.00 0.00 0.00 54.91 54.35 2pio h ALA 843 Cb 0.34 -0.25 0.14 0.00 0.00 0.00 0.00 17.79 18.01 2pio h ALA 843 CO 0.00 0.52 0.33 0.00 0.00 0.00 0.00 179.25 180.10 2pio n LYS 845 N -3.13 -1.57 -4.53 0.00 3.00 -1.26 -4.90 118.16 105.76 2pio n LYS 845 Ca 0.11 0.69 -0.25 0.00 -0.00 0.00 0.00 58.31 58.86 2pio n LYS 845 Cb 0.52 -4.84 -0.10 0.00 0.00 0.00 0.00 35.03 30.62 2pio n LYS 845 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2pio s ARG 846 N -2.59 1.83 0.09 1.64 3.52 -1.12 -5.09 118.95 117.23 2pio s ARG 846 Ca 0.00 -2.07 0.00 0.00 -0.13 0.00 0.00 55.73 53.53 2pio s ARG 846 Cb 0.00 -0.97 0.00 0.00 -1.56 0.00 0.00 34.95 32.42 2pio s ARG 846 CO 0.00 -0.27 0.00 0.36 -0.81 0.00 0.00 175.30 174.58 2pio n LYS 847 N -0.85 0.00 -1.93 5.12 2.85 -1.26 -5.04 118.16 117.05 2pio n LYS 847 Ca -0.06 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.78 2pio n LYS 847 Cb 0.66 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.01 2pio n LYS 847 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2pio s ASN 848 N -4.55 6.62 0.54 -5.58 0.01 -1.26 -4.88 114.94 105.84 2pio s ASN 848 Ca 0.00 2.37 0.35 0.00 -0.71 0.00 0.00 52.86 54.87 2pio s ASN 848 Cb 0.00 -2.54 1.67 0.00 0.41 0.00 0.00 41.25 40.79 2pio s ASN 848 CO 0.00 -0.94 2.06 1.55 -1.51 0.00 0.00 177.10 178.26 2pio h PRO 849 N 9.49 0.00 0.00 -0.60 0.13 -2.00 -1.10 132.00 137.92 2pio h PRO 849 Ca -0.42 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.56 2pio h PRO 849 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2pio h PRO 849 CO 0.95 0.00 -0.76 1.15 -0.23 0.00 0.00 178.00 179.11 2pio h THR 850 N 0.00 1.22 -0.05 1.56 2.02 -2.00 -3.12 112.91 112.54 2pio h THR 850 Ca 0.00 -2.74 -0.20 0.00 0.77 0.00 0.00 66.41 64.23 2pio h THR 850 Cb 0.28 2.60 0.01 0.00 -1.74 0.00 0.00 68.15 69.30 2pio h THR 850 CO 0.00 0.70 -0.76 -1.28 0.37 0.00 0.00 175.52 174.55 2pio h SER 851 N 0.00 0.76 -0.14 4.18 0.87 -1.60 -2.37 113.55 115.25 2pio h SER 851 Ca -0.02 -0.70 0.04 0.00 -1.23 0.00 0.00 61.79 59.88 2pio h SER 851 Cb 1.57 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 63.26 2pio h SER 851 CO 0.09 1.35 -0.08 0.00 -0.53 0.00 0.00 176.83 177.66 2pio h SER 853 N -0.08 0.57 -0.01 0.00 0.02 -1.62 -0.36 113.55 112.06 2pio h SER 853 Ca 0.08 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2pio h SER 853 Cb 0.20 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2pio h SER 853 CO -0.19 0.71 0.01 -0.09 -1.14 0.00 0.00 176.83 176.13 2pio h ARG 854 N 0.40 0.02 -0.45 3.45 2.43 -1.23 -0.06 114.38 118.95 2pio h ARG 854 Ca 0.10 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 2pio h ARG 854 Cb 0.41 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 2pio h ARG 854 CO 0.01 0.02 0.18 -0.09 -1.51 0.00 0.00 179.97 178.59 2pio h ARG 855 N 0.01 0.36 -0.78 0.20 9.65 -0.42 -0.57 114.38 122.82 2pio h ARG 855 Ca 0.00 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 2pio h ARG 855 Cb 0.01 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.47 2pio h ARG 855 CO -0.00 0.24 0.38 0.35 2.80 0.00 0.00 179.97 183.74 2pio h PHE 856 N 0.37 1.11 -0.25 2.20 3.57 -0.80 -1.08 116.94 122.06 2pio h PHE 856 Ca 0.21 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.69 2pio h PHE 856 Cb 0.17 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 2pio h PHE 856 CO -0.14 0.80 0.07 -0.92 -2.23 0.00 0.00 178.31 175.90 2pio h TYR 857 N 1.11 0.12 -0.66 0.41 3.20 0.12 -1.53 116.97 119.75 2pio h TYR 857 Ca 0.27 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 2pio h TYR 857 Cb 0.11 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 2pio h TYR 857 CO 0.01 0.05 0.11 1.96 -1.64 0.00 0.00 178.16 178.65 2pio h GLN 858 N 0.18 1.08 -0.28 1.82 4.20 -0.58 -1.22 115.11 120.31 2pio h GLN 858 Ca 0.11 -0.29 -0.14 0.00 0.06 0.00 0.00 58.65 58.40 2pio h GLN 858 Cb 0.10 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2pio h GLN 858 CO -0.13 1.00 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.57 2pio h LEU 859 N 1.00 0.68 -0.49 1.46 3.38 -1.05 0.31 115.31 120.62 2pio h LEU 859 Ca 0.20 -0.30 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 2pio h LEU 859 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2pio h LEU 859 CO 0.01 0.99 -0.55 0.71 0.09 0.00 0.00 178.44 179.70 2pio h THR 860 N 0.54 1.31 -0.66 0.22 1.35 -1.19 0.12 112.91 114.60 2pio h THR 860 Ca 0.05 -1.78 -0.02 0.00 -0.55 0.00 0.00 66.41 64.10 2pio h THR 860 Cb 0.90 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 69.04 2pio h THR 860 CO 0.08 0.56 0.33 0.11 -0.25 0.00 0.00 175.52 176.35 2pio h LYS 861 N 0.46 0.94 -0.29 4.72 1.79 -1.00 -1.05 116.57 122.16 2pio h LYS 861 Ca 0.01 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.31 2pio h LYS 861 Cb 1.10 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 2pio h LYS 861 CO 0.11 0.74 0.04 1.25 -1.08 0.00 0.00 179.45 180.51 2pio h LEU 862 N 0.91 0.45 -0.63 2.94 5.85 -0.59 -2.13 115.31 122.11 2pio h LEU 862 Ca 0.23 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.75 2pio h LEU 862 Cb 0.10 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2pio h LEU 862 CO -0.03 0.60 0.33 -0.07 -0.34 0.00 0.00 178.44 178.93 2pio h LEU 863 N 0.29 0.47 -1.32 2.25 3.38 -0.47 -1.72 115.31 118.18 2pio h LEU 863 Ca 0.09 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2pio h LEU 863 Cb 0.34 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2pio h LEU 863 CO 0.01 0.30 0.16 0.44 0.09 0.00 0.00 178.44 179.44 2pio h ASP 864 N 0.61 0.56 0.31 -0.43 3.32 -1.03 -2.29 116.42 117.47 2pio h ASP 864 Ca 0.29 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2pio h ASP 864 Cb 0.22 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2pio h ASP 864 CO -0.20 0.53 0.00 -1.54 -1.72 0.00 0.00 179.24 176.31 2pio n SER 865 N -4.36 0.35 0.08 6.45 3.41 -0.65 -2.11 113.62 116.79 2pio n SER 865 Ca 0.03 0.62 -0.15 0.00 -0.26 0.00 0.00 58.87 59.12 2pio n SER 865 Cb 0.16 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.35 2pio n SER 865 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2pio h VAL 866 N 0.00 1.43 -0.50 -3.33 2.07 -1.37 -3.36 116.25 111.19 2pio h VAL 866 Ca 0.00 -2.67 0.01 0.00 0.82 0.00 0.00 66.70 64.85 2pio h VAL 866 Cb 0.15 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 2pio h VAL 866 CO 0.00 0.79 0.33 1.56 0.02 0.00 0.00 177.57 180.27 2pio h GLN 867 N 0.17 0.66 -0.18 1.57 1.08 -1.56 -1.23 115.11 115.62 2pio h GLN 867 Ca -0.10 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.00 2pio h GLN 867 Cb 1.73 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 29.00 2pio h GLN 867 CO 0.18 0.44 -0.14 -1.35 -0.95 0.00 0.00 178.83 177.01 2pio h PRO 868 N 0.68 0.29 -0.20 1.46 0.11 -1.72 0.11 132.00 132.74 2pio h PRO 868 Ca 0.18 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 2pio h PRO 868 Cb -0.08 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 2pio h PRO 868 CO -0.04 0.43 -0.16 0.82 -0.21 0.00 0.00 178.00 178.84 2pio h ILE 869 N 0.27 1.32 -0.62 4.15 2.04 -1.64 -1.62 117.51 121.42 2pio h ILE 869 Ca 0.05 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.62 2pio h ILE 869 Cb 0.42 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2pio h ILE 869 CO 0.02 0.39 0.40 0.00 0.00 0.00 0.00 178.15 178.96 2pio h ALA 870 N 0.66 0.79 -0.45 1.87 0.00 -0.85 -1.23 119.26 120.04 2pio h ALA 870 Ca 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2pio h ALA 870 Cb 0.69 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2pio h ALA 870 CO 0.04 0.24 0.24 -0.09 0.00 0.00 0.00 179.25 179.68 2pio h ARG 871 N 0.84 0.46 -0.77 0.00 9.65 -0.71 0.16 114.38 124.01 2pio h ARG 871 Ca 0.23 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.04 2pio h ARG 871 Cb -0.06 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.38 2pio h ARG 871 CO -0.05 0.30 0.32 0.93 2.80 0.00 0.00 179.97 184.28 2pio h GLU 872 N 0.47 1.14 -0.31 0.20 5.08 -0.84 -1.82 114.58 118.51 2pio h GLU 872 Ca 0.19 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2pio h GLU 872 Cb 0.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2pio h GLU 872 CO -0.13 0.92 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.45 2pio h LEU 873 N 1.11 0.65 -0.31 1.33 3.38 -0.66 -1.71 115.31 119.11 2pio h LEU 873 Ca 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2pio h LEU 873 Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2pio h LEU 873 CO -0.02 0.91 0.18 0.45 0.09 0.00 0.00 178.44 180.04 2pio h HIS 874 N 0.55 0.41 -0.61 1.13 3.86 -0.36 0.41 115.15 120.54 2pio h HIS 874 Ca 0.07 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2pio h HIS 874 Cb 0.77 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 2pio h HIS 874 CO 0.03 0.32 0.36 1.96 0.86 0.00 0.00 177.93 181.46 2pio h GLN 875 N 0.39 0.83 0.03 2.45 4.20 -1.19 -1.21 115.11 120.61 2pio h GLN 875 Ca 0.11 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2pio h GLN 875 Cb 0.03 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2pio h GLN 875 CO -0.02 0.60 -0.01 0.35 -0.67 0.00 0.00 178.83 179.08 2pio h PHE 876 N 0.82 -0.04 -0.15 2.96 3.04 -1.00 -2.11 116.94 120.47 2pio h PHE 876 Ca 0.22 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.10 2pio h PHE 876 Cb -0.01 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 2pio h PHE 876 CO -0.02 0.17 -0.19 0.00 -2.02 0.00 0.00 178.31 176.26 2pio h THR 877 N -0.24 1.21 0.29 4.41 1.03 -0.86 -0.66 112.91 118.09 2pio h THR 877 Ca -0.00 -0.96 -0.01 0.00 -0.01 0.00 0.00 66.41 65.42 2pio h THR 877 Cb 0.22 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 68.61 2pio h THR 877 CO 0.01 0.30 -0.14 0.15 -0.01 0.00 0.00 175.52 175.82 2pio h PHE 878 N 0.24 -0.36 -0.53 0.00 3.57 -1.09 0.69 116.94 119.47 2pio h PHE 878 Ca 0.04 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pio h PHE 878 Cb 0.48 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 2pio h PHE 878 CO 0.01 -0.14 0.33 -0.44 -2.23 0.00 0.00 178.31 175.83 2pio h ASP 879 N -0.50 0.62 -0.58 0.41 3.32 -1.18 -1.90 116.42 116.61 2pio h ASP 879 Ca -0.04 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 2pio h ASP 879 Cb 0.37 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2pio h ASP 879 CO 0.06 0.47 0.11 0.25 -1.72 0.00 0.00 179.24 178.41 2pio h LEU 880 N 0.72 0.90 -0.74 1.55 5.85 -0.72 -1.74 115.31 121.13 2pio h LEU 880 Ca 0.19 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2pio h LEU 880 Cb -0.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 2pio h LEU 880 CO -0.04 0.93 0.25 0.25 -0.34 0.00 0.00 178.44 179.49 2pio h LEU 881 N 0.84 1.06 -0.14 2.25 5.85 -0.23 0.85 115.31 125.80 2pio h LEU 881 Ca 0.18 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2pio h LEU 881 Cb 0.40 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2pio h LEU 881 CO 0.01 0.98 0.07 0.40 -0.34 0.00 0.00 178.44 179.56 2pio h ILE 882 N 1.09 1.11 -0.65 4.05 1.08 -1.13 -2.98 117.51 120.07 2pio h ILE 882 Ca 0.24 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2pio h ILE 882 Cb 0.28 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 2pio h ILE 882 CO -0.01 0.10 0.00 2.29 -0.69 0.00 0.00 178.15 179.84 2pio n LYS 883 N -4.93 3.42 -0.22 2.37 2.85 -0.67 -4.57 118.16 116.41 2pio n LYS 883 Ca -0.05 -2.73 0.02 0.00 -1.05 0.00 0.00 58.31 54.51 2pio n LYS 883 Cb 0.08 -1.81 0.14 0.00 -0.65 0.00 0.00 35.03 32.80 2pio n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2pio h SER 884 N 4.03 0.12 -0.35 -5.58 4.64 0.90 -1.14 113.55 116.17 2pio h SER 884 Ca 0.00 0.11 0.07 0.00 -0.47 0.00 0.00 61.79 61.50 2pio h SER 884 Cb 1.31 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.51 2pio h SER 884 CO 0.18 0.05 0.24 1.12 -0.87 0.00 0.00 176.83 177.55 2pio h HIS 885 N 0.34 0.15 0.24 4.77 2.07 -1.80 -0.41 115.15 120.51 2pio h HIS 885 Ca 0.36 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.54 2pio h HIS 885 Cb 0.53 -0.05 0.03 0.00 2.57 0.00 0.00 27.41 30.49 2pio h HIS 885 CO -0.21 0.08 -1.52 0.52 -3.07 0.00 0.00 177.93 173.73 2pio h MET 886 N 0.15 0.52 -0.06 5.12 2.07 -1.57 -3.31 114.93 117.85 2pio h MET 886 Ca 0.16 -0.89 0.00 0.00 -2.07 0.00 0.00 59.70 56.90 2pio h MET 886 Cb 0.44 0.33 0.00 0.00 -1.87 0.00 0.00 31.60 30.50 2pio h MET 886 CO -0.02 1.42 0.00 1.33 1.07 0.00 0.00 176.91 180.71 2pio n VAL 887 N -3.71 0.06 -2.42 -2.22 0.24 -0.92 -4.93 118.33 104.43 2pio n VAL 887 Ca -0.18 -0.20 -0.16 0.00 -2.04 0.00 0.00 64.34 61.76 2pio n VAL 887 Cb 1.10 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 2pio n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2pio n SER 888 N -0.13 -4.84 -4.83 -1.34 7.64 -0.23 -4.49 113.62 105.41 2pio n SER 888 Ca 0.18 -0.06 -0.37 0.00 1.01 0.00 0.00 58.87 59.63 2pio n SER 888 Cb 0.26 -3.90 -0.06 0.00 -1.01 0.00 0.00 64.21 59.50 2pio n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2pio s VAL 889 N -2.85 5.20 -0.10 0.44 1.01 -0.83 -4.80 120.40 118.47 2pio s VAL 889 Ca 0.05 0.63 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 2pio s VAL 889 Cb -0.02 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2pio s VAL 889 CO 0.06 0.56 0.14 -1.81 0.00 0.00 0.00 175.10 174.05 2pio s ASP 890 N -0.80 6.33 -0.12 3.32 1.01 -1.26 -4.56 116.67 120.59 2pio s ASP 890 Ca 0.20 0.44 0.01 0.00 0.71 0.00 0.00 52.55 53.91 2pio s ASP 890 Cb -0.15 -2.03 0.02 0.00 1.01 0.00 0.00 42.92 41.77 2pio s ASP 890 CO 0.09 0.39 -0.14 -0.36 0.21 0.00 0.00 175.17 175.36 2pio s PHE 891 N -1.07 1.97 1.01 4.23 0.40 -1.26 -4.59 117.98 118.67 2pio s PHE 891 Ca 0.17 -1.01 -0.12 0.00 -0.60 0.00 0.00 56.93 55.36 2pio s PHE 891 Cb -0.12 -1.46 0.19 0.00 0.51 0.00 0.00 43.02 42.14 2pio s PHE 891 CO 0.06 -0.56 1.08 -2.14 0.70 0.00 0.00 175.22 174.36 2pio s PRO 892 N 1.29 0.35 0.07 0.24 0.02 -1.26 -4.65 135.00 131.06 2pio s PRO 892 Ca -0.00 0.75 -0.17 0.00 0.02 0.00 0.00 61.00 61.60 2pio s PRO 892 Cb -0.14 -1.71 -0.05 0.00 0.02 0.00 0.00 34.50 32.62 2pio s PRO 892 CO -0.06 -2.85 1.29 0.93 -0.33 0.00 0.00 177.00 175.98 2pio h GLU 893 N -1.99 -0.15 -0.44 5.54 4.39 -1.99 -0.76 114.58 119.18 2pio h GLU 893 Ca -0.54 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2pio h GLU 893 Cb 1.31 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 2pio h GLU 893 CO 0.54 -0.10 0.29 0.52 -1.16 0.00 0.00 179.01 179.09 2pio h MET 894 N -0.16 0.58 -0.27 2.33 2.86 -1.99 -1.22 114.93 117.06 2pio h MET 894 Ca 0.05 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 2pio h MET 894 Cb 0.29 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2pio h MET 894 CO -0.36 0.39 -0.13 0.52 1.06 0.00 0.00 176.91 178.39 2pio h MET 895 N 0.60 0.56 -0.66 1.72 2.86 -1.82 -0.77 114.93 117.42 2pio h MET 895 Ca 0.16 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 2pio h MET 895 Cb -0.06 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 2pio h MET 895 CO -0.03 0.81 0.08 0.00 1.06 0.00 0.00 176.91 178.82 2pio h ALA 896 N 0.74 0.89 0.02 6.32 0.00 -0.79 -1.37 119.26 125.07 2pio h ALA 896 Ca 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2pio h ALA 896 Cb 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2pio h ALA 896 CO 0.04 0.67 -0.01 1.49 0.00 0.00 0.00 179.25 181.44 2pio h GLU 897 N 1.03 -0.02 -0.65 0.00 4.81 -1.17 -2.72 114.58 115.87 2pio h GLU 897 Ca 0.20 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 2pio h GLU 897 Cb 0.48 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2pio h GLU 897 CO 0.02 0.39 0.16 0.82 -0.73 0.00 0.00 179.01 179.67 2pio h ILE 898 N -0.43 1.26 0.00 2.32 2.04 -1.12 -0.91 117.51 120.66 2pio h ILE 898 Ca -0.00 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 2pio h ILE 898 Cb 0.42 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2pio h ILE 898 CO 0.00 0.35 -0.03 0.40 0.00 0.00 0.00 178.15 178.88 2pio h ILE 899 N 0.95 0.07 0.00 -0.67 2.04 -1.32 0.10 117.51 118.68 2pio h ILE 899 Ca 0.20 -0.70 -0.18 0.00 1.00 0.00 0.00 64.86 65.19 2pio h ILE 899 Cb 0.36 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 2pio h ILE 899 CO 0.00 0.03 -1.90 -1.54 0.00 0.00 0.00 178.15 174.74 2pio n SER 900 N -3.12 0.32 -0.11 1.72 3.41 -1.02 -4.12 113.62 110.69 2pio n SER 900 Ca 0.01 0.14 -0.21 0.00 -0.26 0.00 0.00 58.87 58.55 2pio n SER 900 Cb 0.37 1.01 -0.09 0.00 -0.26 0.00 0.00 64.21 65.24 2pio n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pio n VAL 901 N -2.64 1.23 -0.07 -3.33 0.31 -0.37 -4.63 118.33 108.83 2pio n VAL 901 Ca -0.15 -0.37 -0.21 0.00 -0.01 0.00 0.00 64.34 63.60 2pio n VAL 901 Cb 0.85 -1.61 -0.12 0.00 -0.91 0.00 0.00 33.84 32.05 2pio n VAL 901 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2pio h GLN 902 N -0.52 0.07 -0.80 5.55 1.08 -1.01 -3.38 115.11 116.10 2pio h GLN 902 Ca -0.54 -0.13 0.06 0.00 -1.45 0.00 0.00 58.65 56.60 2pio h GLN 902 Cb 1.59 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 29.00 2pio h GLN 902 CO -0.25 1.06 0.48 0.28 -0.95 0.00 0.00 178.83 179.45 2pio h VAL 903 N -0.75 1.01 -0.59 -0.54 2.07 -1.54 -1.79 116.25 114.11 2pio h VAL 903 Ca -0.32 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 66.98 2pio h VAL 903 Cb 1.44 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2pio h VAL 903 CO -0.11 0.16 0.40 -0.65 0.02 0.00 0.00 177.57 177.39 2pio h PRO 904 N 0.88 0.51 0.00 1.57 0.11 -1.77 0.83 132.00 134.12 2pio h PRO 904 Ca 0.36 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.41 2pio h PRO 904 Cb 0.19 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 2pio h PRO 904 CO -0.18 0.34 -0.14 0.87 -0.21 0.00 0.00 178.00 178.68 2pio h LYS 905 N 0.52 0.00 0.06 1.05 1.57 -1.50 0.20 116.57 118.47 2pio h LYS 905 Ca 0.26 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 2pio h LYS 905 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.68 2pio h LYS 905 CO -0.08 0.14 -0.42 0.82 -0.57 0.00 0.00 179.45 179.34 2pio h ILE 906 N 0.00 1.62 0.00 1.86 2.04 -0.85 -0.41 117.51 121.77 2pio h ILE 906 Ca -0.00 -2.41 -0.02 0.00 1.00 0.00 0.00 64.86 63.43 2pio h ILE 906 Cb 0.27 3.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.59 2pio h ILE 906 CO 0.02 0.64 -0.08 -0.07 0.00 0.00 0.00 178.15 178.66 2pio h LEU 907 N -0.74 0.00 -0.96 1.44 3.38 -1.00 -1.65 115.31 115.78 2pio h LEU 907 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2pio h LEU 907 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2pio h LEU 907 CO 0.05 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 177.12 2pio n SER 908 N -3.70 1.48 0.00 -0.43 3.41 0.04 -4.94 113.62 109.48 2pio n SER 908 Ca -0.02 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 2pio n SER 908 Cb 0.19 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2pio n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pio n GLY 909 N 1.15 0.71 0.18 5.00 0.00 -0.62 -4.91 105.19 106.70 2pio n GLY 909 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 2pio n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pio h LYS 910 N 2.24 0.00 -4.17 1.61 1.57 -1.32 -3.43 116.57 113.06 2pio h LYS 910 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 2pio h LYS 910 Cb 0.00 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 31.96 2pio h LYS 910 CO 0.00 0.15 -0.79 0.08 -0.57 0.00 0.00 179.45 178.32 2pio s VAL 911 N -3.14 0.81 0.11 0.50 1.01 -0.62 -0.41 120.40 118.66 2pio s VAL 911 Ca 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2pio s VAL 911 Cb 0.06 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2pio s VAL 911 CO 0.71 0.31 -0.05 -1.59 0.00 0.00 0.00 175.10 174.47 2pio s LYS 912 N 1.23 0.89 0.61 2.72 -2.85 -0.85 -4.34 119.74 117.15 2pio s LYS 912 Ca -0.05 -1.38 -0.17 0.00 -1.00 0.00 0.00 55.97 53.38 2pio s LYS 912 Cb -0.14 -0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.38 2pio s LYS 912 CO -0.02 -0.04 1.10 -2.14 0.10 0.00 0.00 175.35 174.35 2pio s PRO 913 N -3.85 3.11 -0.35 1.78 0.02 -1.26 -1.92 135.00 132.53 2pio s PRO 913 Ca 0.14 1.41 -0.12 0.00 0.02 0.00 0.00 61.00 62.45 2pio s PRO 913 Cb 0.05 -1.99 -0.01 0.00 0.02 0.00 0.00 34.50 32.58 2pio s PRO 913 CO -0.03 -1.01 0.23 0.42 -0.33 0.00 0.00 177.00 176.28 2pio s ILE 914 N -2.20 5.10 0.10 2.83 1.01 0.23 -4.90 121.20 123.37 2pio s ILE 914 Ca 0.68 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.91 2pio s ILE 914 Cb -0.20 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 2pio s ILE 914 CO 0.35 -0.05 0.36 -0.31 0.00 0.00 0.00 174.94 175.30 2pio s TYR 915 N 1.68 3.53 -0.07 3.97 1.51 -1.26 -4.88 117.35 121.82 2pio s TYR 915 Ca 0.05 0.63 -0.24 0.00 -1.01 0.00 0.00 57.07 56.50 2pio s TYR 915 Cb -0.18 -2.05 -0.29 0.00 -0.11 0.00 0.00 41.96 39.33 2pio s TYR 915 CO 0.09 0.49 0.87 0.74 -1.11 0.00 0.00 175.55 176.64 2pio h PHE 916 N 3.31 0.37 -2.72 2.71 -1.00 -1.98 -3.46 116.94 114.17 2pio h PHE 916 Ca -0.48 -0.26 -0.57 0.00 2.81 0.00 0.00 57.97 59.47 2pio h PHE 916 Cb 1.18 -0.02 -0.07 0.00 3.61 0.00 0.00 35.95 40.66 2pio h PHE 916 CO 0.64 1.20 -0.56 -1.01 -1.61 0.00 0.00 178.31 176.97 2pio s HIS 917 N -2.42 3.19 -2.47 -0.55 3.76 -1.26 -5.14 115.29 110.40 2pio s HIS 917 Ca -0.15 0.01 0.28 0.00 -0.15 0.00 0.00 55.06 55.05 2pio s HIS 917 Cb -0.00 -1.54 1.10 0.00 1.11 0.00 0.00 32.58 33.25 2pio s HIS 917 CO 0.78 0.52 1.78 2.41 -0.85 0.00 0.00 174.74 179.38