#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b95 s SER 744 N 0.00 5.97 0.29 6.15 1.04 -1.26 -4.98 113.70 120.90 3b95 s SER 744 Ca 0.00 0.68 -0.02 0.00 0.48 0.00 0.00 55.95 57.08 3b95 s SER 744 Cb 0.00 -1.91 0.41 0.00 0.10 0.00 0.00 66.02 64.62 3b95 s SER 744 CO 0.00 -0.73 1.92 -0.65 0.98 0.00 0.00 173.24 174.77 3b95 h PRO 745 N 0.19 1.05 -0.98 4.02 0.11 -2.02 -1.70 132.00 132.66 3b95 h PRO 745 Ca -0.47 -0.10 0.08 0.00 0.11 0.00 0.00 66.00 65.62 3b95 h PRO 745 Cb 1.23 -0.22 -0.07 0.00 0.11 0.00 0.00 31.00 32.05 3b95 h PRO 745 CO 0.60 0.75 0.63 1.25 -0.21 0.00 0.00 178.00 181.02 3b95 h LEU 746 N 1.07 0.98 -0.31 2.35 6.46 -1.96 0.15 115.31 124.05 3b95 h LEU 746 Ca 0.28 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.04 3b95 h LEU 746 Cb -0.02 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 3b95 h LEU 746 CO -0.05 0.60 0.13 0.45 -0.62 0.00 0.00 178.44 178.95 3b95 h HIS 747 N 1.10 0.46 -0.73 1.25 3.86 -1.71 -0.62 115.15 118.75 3b95 h HIS 747 Ca 0.44 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.62 3b95 h HIS 747 Cb 0.26 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 3b95 h HIS 747 CO -0.01 0.43 0.43 0.00 0.86 0.00 0.00 177.93 179.64 3b95 h ALA 748 N 0.98 1.38 -0.09 2.45 0.00 -0.71 -0.08 119.26 123.19 3b95 h ALA 748 Ca 0.10 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 3b95 h ALA 748 Cb 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3b95 h ALA 748 CO -0.01 0.53 -0.78 0.00 0.00 0.00 0.00 179.25 178.98 3b95 h ALA 749 N 1.47 0.46 -0.32 0.00 0.00 -0.44 -2.23 119.26 118.20 3b95 h ALA 749 Ca 0.26 -0.62 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 3b95 h ALA 749 Cb -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3b95 h ALA 749 CO -0.05 0.74 -0.46 0.00 0.00 0.00 0.00 179.25 179.48 3b95 h ALA 750 N 0.77 0.59 -0.65 0.00 0.00 -0.84 -0.13 119.26 119.00 3b95 h ALA 750 Ca -0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 3b95 h ALA 750 Cb 1.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3b95 h ALA 750 CO 0.14 0.68 0.27 1.49 0.00 0.00 0.00 179.25 181.84 3b95 h GLU 751 N 0.66 0.96 -0.01 0.00 4.81 -0.99 -2.19 114.58 117.83 3b95 h GLU 751 Ca 0.04 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3b95 h GLU 751 Cb 1.04 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3b95 h GLU 751 CO 0.10 0.79 -0.01 0.00 -0.73 0.00 0.00 179.01 179.16 3b95 n ALA 752 N -2.38 2.65 -1.46 2.92 0.00 -0.84 -4.85 120.51 116.55 3b95 n ALA 752 Ca 0.04 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.02 3b95 n ALA 752 Cb 0.16 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 3b95 n ALA 752 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b95 n GLY 753 N 1.11 1.48 3.54 0.00 0.00 -0.51 -4.93 105.19 105.88 3b95 n GLY 753 Ca 0.21 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3b95 n GLY 753 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b95 s HIS 754 N -2.56 2.61 0.22 1.61 3.76 -0.18 -4.66 115.29 116.09 3b95 s HIS 754 Ca 0.00 -0.85 -0.08 0.00 -0.15 0.00 0.00 55.06 53.97 3b95 s HIS 754 Cb 0.00 -4.61 0.32 0.00 1.11 0.00 0.00 32.58 29.40 3b95 s HIS 754 CO 0.00 -1.87 1.74 0.28 -0.85 0.00 0.00 174.74 174.04 3b95 h VAL 755 N 6.54 0.73 -0.04 -0.90 2.07 -1.92 -2.73 116.25 120.00 3b95 h VAL 755 Ca 0.13 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3b95 h VAL 755 Cb 1.02 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3b95 h VAL 755 CO 1.35 0.07 -0.34 -0.78 0.02 0.00 0.00 177.57 177.90 3b95 h ASP 756 N 0.41 -1.02 -0.52 0.57 3.58 -1.97 0.31 116.42 117.78 3b95 h ASP 756 Ca 0.33 0.14 0.05 0.00 0.42 0.00 0.00 57.03 57.97 3b95 h ASP 756 Cb 0.44 0.41 -0.05 0.00 1.72 0.00 0.00 39.33 41.85 3b95 h ASP 756 CO -0.34 -0.39 0.24 0.40 -2.88 0.00 0.00 179.24 176.28 3b95 h ILE 757 N -0.47 0.91 -0.09 2.25 2.04 -1.93 0.14 117.51 120.37 3b95 h ILE 757 Ca 0.07 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3b95 h ILE 757 Cb 0.57 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3b95 h ILE 757 CO -0.30 0.08 -0.25 0.00 0.00 0.00 0.00 178.15 177.69 3b95 h HIS 759 N -0.33 -0.62 -0.73 0.00 -0.00 0.20 0.11 115.15 113.78 3b95 h HIS 759 Ca 0.09 0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.58 3b95 h HIS 759 Cb 0.46 0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 28.09 3b95 h HIS 759 CO -0.32 -0.32 0.48 0.52 -0.00 0.00 0.00 177.93 178.28 3b95 h MET 760 N -0.38 0.59 -0.07 5.26 2.07 0.08 0.85 114.93 123.32 3b95 h MET 760 Ca 0.05 -0.04 -0.06 0.00 -2.07 0.00 0.00 59.70 57.58 3b95 h MET 760 Cb 0.45 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 30.05 3b95 h MET 760 CO -0.19 0.39 -0.21 -0.07 1.07 0.00 0.00 176.91 177.90 3b95 h LEU 761 N 0.60 0.30 -1.33 1.22 3.38 0.48 0.26 115.31 120.23 3b95 h LEU 761 Ca 0.34 -0.61 0.09 0.00 0.09 0.00 0.00 57.88 57.79 3b95 h LEU 761 Cb 0.50 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3b95 h LEU 761 CO -0.12 0.86 0.52 0.58 0.09 0.00 0.00 178.44 180.37 3b95 h VAL 762 N -0.24 0.97 -0.35 1.22 2.07 -0.28 0.08 116.25 119.73 3b95 h VAL 762 Ca -0.01 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.09 3b95 h VAL 762 Cb 0.83 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3b95 h VAL 762 CO 0.04 0.14 -0.42 -0.61 0.02 0.00 0.00 177.57 176.75 3b95 h GLN 763 N 0.77 0.88 0.00 1.57 5.75 -0.73 -2.65 115.11 120.70 3b95 h GLN 763 Ca 0.36 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3b95 h GLN 763 Cb 0.39 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.96 3b95 h GLN 763 CO -0.14 1.12 0.00 0.00 -2.65 0.00 0.00 178.83 177.17 3b95 n ALA 764 N -2.54 1.95 0.00 3.38 0.00 0.07 -4.83 120.51 118.54 3b95 n ALA 764 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3b95 n ALA 764 Cb 0.56 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3b95 n ALA 764 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b95 n GLY 765 N 0.03 0.65 3.50 0.00 0.00 -0.76 -5.06 105.19 103.54 3b95 n GLY 765 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3b95 n GLY 765 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b95 n ALA 766 N -1.13 -0.93 -2.65 4.61 0.00 -0.62 -4.89 120.51 114.90 3b95 n ALA 766 Ca 0.00 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 3b95 n ALA 766 Cb 0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 19.45 17.54 3b95 n ALA 766 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3b95 s ASN 767 N -1.02 6.91 0.38 0.00 3.84 -1.26 -4.63 114.94 119.15 3b95 s ASN 767 Ca 0.66 1.13 0.16 0.00 0.21 0.00 0.00 52.86 55.02 3b95 s ASN 767 Cb -0.52 -2.46 0.76 0.00 -0.55 0.00 0.00 41.25 38.48 3b95 s ASN 767 CO 0.55 -0.52 1.81 -0.29 -2.79 0.00 0.00 177.10 175.86 3b95 h ILE 768 N 5.38 1.09 -0.57 -5.21 2.10 -1.96 -3.06 117.51 115.29 3b95 h ILE 768 Ca -0.24 -1.36 0.00 0.00 1.08 0.00 0.00 64.86 64.35 3b95 h ILE 768 Cb 1.10 1.77 0.00 0.00 -1.09 0.00 0.00 36.82 38.59 3b95 h ILE 768 CO 0.88 0.37 0.00 0.47 -1.08 0.00 0.00 178.15 178.79 3b95 n ASP 769 N -3.84 5.18 -4.71 2.19 10.43 -1.26 -4.37 116.55 120.16 3b95 n ASP 769 Ca -0.01 -2.76 -0.42 0.00 2.57 0.00 0.00 54.79 54.17 3b95 n ASP 769 Cb 0.44 -0.63 -0.03 0.00 1.84 0.00 0.00 41.12 42.74 3b95 n ASP 769 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 3b95 s THR 770 N -2.43 2.38 0.13 -3.53 -1.32 -1.16 -4.92 115.64 104.79 3b95 s THR 770 Ca 0.52 0.22 -0.04 0.00 -1.21 0.00 0.00 61.69 61.17 3b95 s THR 770 Cb 0.37 -3.14 -0.05 0.00 -1.51 0.00 0.00 72.50 68.17 3b95 s THR 770 CO 0.18 0.01 0.35 0.00 -2.21 0.00 0.00 174.62 172.96 3b95 s SER 772 N -2.44 5.06 0.30 0.00 1.04 -0.77 -4.90 113.70 111.98 3b95 s SER 772 Ca 0.40 -0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.85 3b95 s SER 772 Cb -0.12 -0.73 0.79 0.00 0.10 0.00 0.00 66.02 66.06 3b95 s SER 772 CO 0.25 -1.32 1.71 1.05 0.98 0.00 0.00 173.24 175.91 3b95 h GLU 773 N -0.10 0.44 -0.59 4.02 9.09 -1.99 0.36 114.58 125.80 3b95 h GLU 773 Ca -0.41 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 58.97 3b95 h GLU 773 Cb 1.29 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 3b95 h GLU 773 CO 0.51 0.29 0.00 -0.40 0.05 0.00 0.00 179.01 179.46 3b95 n ASP 774 N -4.99 0.59 0.00 3.06 5.75 -1.26 -4.88 116.55 114.82 3b95 n ASP 774 Ca 0.24 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 3b95 n ASP 774 Cb 0.69 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 3b95 n ASP 774 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3b95 n GLN 775 N -0.19 -0.38 -3.05 0.11 1.13 0.13 -3.98 117.38 111.16 3b95 n GLN 775 Ca 0.00 0.09 -0.35 0.00 -1.94 0.00 0.00 57.00 54.80 3b95 n GLN 775 Cb 0.15 -3.57 -0.06 0.00 0.11 0.00 0.00 30.24 26.87 3b95 n GLN 775 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3b95 s ARG 776 N -0.61 4.24 0.32 -1.09 0.52 -1.26 -4.43 118.95 116.65 3b95 s ARG 776 Ca 0.00 0.91 0.07 0.00 -0.52 0.00 0.00 55.73 56.18 3b95 s ARG 776 Cb 0.00 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.73 3b95 s ARG 776 CO 0.00 0.30 0.41 0.95 0.02 0.00 0.00 175.30 176.99 3b95 s THR 777 N -1.67 4.09 0.25 0.02 -4.23 -1.26 -1.85 115.64 110.97 3b95 s THR 777 Ca 0.48 -1.09 -0.06 0.00 -1.18 0.00 0.00 61.69 59.84 3b95 s THR 777 Cb -0.15 -3.41 0.25 0.00 1.34 0.00 0.00 72.50 70.53 3b95 s THR 777 CO 0.20 -0.18 1.91 -0.65 -0.54 0.00 0.00 174.62 175.36 3b95 h PRO 778 N 1.01 1.24 -0.97 3.99 0.11 -1.76 -1.75 132.00 133.86 3b95 h PRO 778 Ca -0.46 -0.07 0.18 0.00 0.11 0.00 0.00 66.00 65.76 3b95 h PRO 778 Cb 1.25 -0.28 -0.09 0.00 0.11 0.00 0.00 31.00 31.99 3b95 h PRO 778 CO 0.55 0.82 0.61 1.25 -0.21 0.00 0.00 178.00 181.02 3b95 h LEU 779 N 1.27 0.70 -0.60 2.35 5.85 -1.92 0.38 115.31 123.34 3b95 h LEU 779 Ca 0.37 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 59.03 3b95 h LEU 779 Cb -0.07 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3b95 h LEU 779 CO -0.10 0.28 -0.36 0.24 -0.34 0.00 0.00 178.44 178.16 3b95 h MET 780 N 0.70 0.71 -0.70 1.25 2.86 -1.72 -0.98 114.93 117.05 3b95 h MET 780 Ca 0.53 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3b95 h MET 780 Cb 0.91 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 3b95 h MET 780 CO -0.30 0.96 0.43 0.93 1.06 0.00 0.00 176.91 179.99 3b95 h GLU 781 N 0.59 0.94 -0.00 1.72 4.39 -0.64 0.89 114.58 122.46 3b95 h GLU 781 Ca 0.06 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3b95 h GLU 781 Cb 0.89 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3b95 h GLU 781 CO 0.08 0.65 -0.01 0.00 -1.16 0.00 0.00 179.01 178.57 3b95 h ALA 782 N 1.51 0.01 -0.39 3.43 0.00 -1.02 -2.87 119.26 119.94 3b95 h ALA 782 Ca 0.25 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3b95 h ALA 782 Cb -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3b95 h ALA 782 CO -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 179.25 178.97 3b95 h ALA 783 N 0.43 0.53 -0.08 0.00 0.00 -1.04 -0.67 119.26 118.44 3b95 h ALA 783 Ca 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 3b95 h ALA 783 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3b95 h ALA 783 CO 0.00 0.34 -0.20 1.49 0.00 0.00 0.00 179.25 180.88 3b95 h GLU 784 N 0.53 0.12 -0.91 0.00 4.81 -0.91 -2.51 114.58 115.71 3b95 h GLU 784 Ca 0.11 -0.03 -0.36 0.00 -0.13 0.00 0.00 59.36 58.94 3b95 h GLU 784 Cb 0.52 -0.02 -0.22 0.00 0.63 0.00 0.00 28.75 29.67 3b95 h GLU 784 CO 0.03 0.33 0.46 0.09 -0.73 0.00 0.00 179.01 179.19 3b95 n ASN 785 N -4.24 4.05 -2.58 1.04 5.03 -1.08 -4.91 115.26 112.57 3b95 n ASN 785 Ca -0.01 -3.32 -0.15 0.00 0.87 0.00 0.00 54.58 51.97 3b95 n ASN 785 Cb 0.30 -0.78 -0.00 0.00 -1.02 0.00 0.00 39.78 38.28 3b95 n ASN 785 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3b95 n ASN 786 N -0.64 -4.16 -3.94 6.41 2.85 -0.95 -4.90 115.26 109.93 3b95 n ASN 786 Ca 0.48 0.09 -0.43 0.00 -0.11 0.00 0.00 54.58 54.60 3b95 n ASN 786 Cb 1.47 -3.50 0.01 0.00 1.24 0.00 0.00 39.78 38.99 3b95 n ASN 786 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3b95 n HIS 787 N -3.56 2.50 -0.30 1.20 8.25 -0.27 -4.85 115.22 118.18 3b95 n HIS 787 Ca -0.14 -2.65 0.14 0.00 -0.26 0.00 0.00 57.72 54.81 3b95 n HIS 787 Cb 0.61 -1.54 0.32 0.00 1.12 0.00 0.00 29.99 30.50 3b95 n HIS 787 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3b95 h LEU 788 N 6.42 0.22 -0.64 2.41 5.85 -1.91 0.62 115.31 128.28 3b95 h LEU 788 Ca 0.28 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 3b95 h LEU 788 Cb 0.62 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 3b95 h LEU 788 CO 1.46 -0.08 0.38 -0.08 -0.34 0.00 0.00 178.44 179.78 3b95 h GLU 789 N 0.31 0.88 -0.01 1.25 4.57 -1.94 0.21 114.58 119.85 3b95 h GLU 789 Ca 0.58 -0.09 -0.16 0.00 -1.18 0.00 0.00 59.36 58.51 3b95 h GLU 789 Cb 1.15 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 3b95 h GLU 789 CO -0.59 0.64 -0.73 0.00 -1.18 0.00 0.00 179.01 177.15 3b95 h ALA 790 N 1.19 0.76 -0.42 2.92 0.00 -1.52 -1.43 119.26 120.76 3b95 h ALA 790 Ca 0.23 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3b95 h ALA 790 Cb -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3b95 h ALA 790 CO -0.04 0.88 0.13 0.28 0.00 0.00 0.00 179.25 180.50 3b95 h VAL 791 N 0.04 1.22 -0.44 0.00 2.07 -0.35 -0.81 116.25 117.98 3b95 h VAL 791 Ca -0.01 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 3b95 h VAL 791 Cb 1.29 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3b95 h VAL 791 CO 0.10 0.26 -0.01 0.11 0.02 0.00 0.00 177.57 178.05 3b95 h LYS 792 N 0.54 0.73 0.78 1.57 1.57 -0.47 -2.14 116.57 119.15 3b95 h LYS 792 Ca 0.14 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3b95 h LYS 792 Cb 0.26 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.49 3b95 h LYS 792 CO -0.00 0.75 -0.37 -0.92 -0.57 0.00 0.00 179.45 178.33 3b95 h TYR 793 N 0.68 -0.97 -0.88 -1.35 3.20 -0.66 -0.47 116.97 116.53 3b95 h TYR 793 Ca 0.14 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.07 3b95 h TYR 793 Cb 0.43 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 38.96 3b95 h TYR 793 CO 0.02 -0.60 0.57 -0.07 -1.64 0.00 0.00 178.16 176.44 3b95 h LEU 794 N -1.25 0.79 -0.73 2.82 3.38 -1.21 0.53 115.31 119.64 3b95 h LEU 794 Ca -0.11 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3b95 h LEU 794 Cb 0.81 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3b95 h LEU 794 CO 0.18 0.48 -0.23 0.40 0.09 0.00 0.00 178.44 179.36 3b95 h ILE 795 N 0.88 1.27 0.00 1.22 2.04 -1.30 0.17 117.51 121.80 3b95 h ILE 795 Ca 0.40 -1.32 -0.10 0.00 1.00 0.00 0.00 64.86 64.84 3b95 h ILE 795 Cb 0.38 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3b95 h ILE 795 CO -0.17 0.44 -0.47 0.11 0.00 0.00 0.00 178.15 178.07 3b95 h LYS 796 N 0.64 0.00 0.00 2.37 1.79 0.65 -2.25 116.57 119.77 3b95 h LYS 796 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3b95 h LYS 796 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 3b95 h LYS 796 CO 0.06 0.47 0.00 0.00 -1.08 0.00 0.00 179.45 178.89 3b95 n ALA 797 N -2.34 2.39 -0.13 3.86 0.00 0.17 -4.89 120.51 119.58 3b95 n ALA 797 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3b95 n ALA 797 Cb 0.56 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3b95 n ALA 797 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b95 n GLY 798 N 0.93 0.92 3.77 0.00 0.00 -0.39 -5.03 105.19 105.39 3b95 n GLY 798 Ca 0.15 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3b95 n GLY 798 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b95 s ALA 799 N -2.00 3.14 0.16 4.61 0.00 0.47 -4.94 121.76 123.20 3b95 s ALA 799 Ca 0.00 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 3b95 s ALA 799 Cb 0.00 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 3b95 s ALA 799 CO 0.00 -0.87 1.29 -0.51 0.00 0.00 0.00 175.76 175.67 3b95 s LEU 800 N -2.71 4.41 -0.16 0.00 1.43 -1.26 -4.79 118.68 115.60 3b95 s LEU 800 Ca 0.60 2.30 -0.01 0.00 -1.03 0.00 0.00 54.13 55.99 3b95 s LEU 800 Cb -0.36 -3.60 -0.23 0.00 0.03 0.00 0.00 46.19 42.03 3b95 s LEU 800 CO 0.46 -0.52 0.20 0.52 0.23 0.00 0.00 176.35 177.24 3b95 n VAL 801 N 3.09 1.66 1.53 -1.59 0.31 -1.26 -4.50 118.33 117.58 3b95 n VAL 801 Ca 0.07 -0.65 0.11 0.00 -0.01 0.00 0.00 64.34 63.86 3b95 n VAL 801 Cb 0.44 -1.52 0.47 0.00 -0.91 0.00 0.00 33.84 32.31 3b95 n VAL 801 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3b95 n ASP 802 N -3.34 1.03 -4.60 4.52 5.75 -1.26 -4.43 116.55 114.22 3b95 n ASP 802 Ca -0.35 -1.57 -0.30 0.00 -0.01 0.00 0.00 54.79 52.57 3b95 n ASP 802 Cb 1.04 -0.06 0.20 0.00 -1.03 0.00 0.00 41.12 41.27 3b95 n ASP 802 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 3b95 s PRO 803 N -1.88 0.21 0.24 0.11 0.04 -1.26 -4.89 135.00 127.56 3b95 s PRO 803 Ca 0.32 1.25 0.11 0.00 0.04 0.00 0.00 61.00 62.71 3b95 s PRO 803 Cb 0.16 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 33.00 3b95 s PRO 803 CO 0.26 -3.09 -0.16 0.15 0.04 0.00 0.00 177.00 174.20 3b95 s LYS 804 N -4.57 1.81 0.20 4.56 1.02 -1.26 -4.39 119.74 117.10 3b95 s LYS 804 Ca 0.67 -1.57 -0.03 0.00 0.02 0.00 0.00 55.97 55.06 3b95 s LYS 804 Cb -0.24 -1.92 0.05 0.00 -0.52 0.00 0.00 37.83 35.21 3b95 s LYS 804 CO 0.61 0.37 0.12 -3.47 -0.92 0.00 0.00 175.35 172.06 3b95 n ASP 805 N -0.36 -2.14 -0.55 2.83 4.64 0.14 -4.77 116.55 116.33 3b95 n ASP 805 Ca -0.08 -0.19 0.12 0.00 -1.38 0.00 0.00 54.79 53.27 3b95 n ASP 805 Cb 0.58 -0.14 0.24 0.00 -1.04 0.00 0.00 41.12 40.77 3b95 n ASP 805 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3b95 n ALA 806 N -3.38 2.93 -0.72 -1.67 0.00 -1.26 -3.54 120.51 112.87 3b95 n ALA 806 Ca -0.03 -0.55 0.07 0.00 0.00 0.00 0.00 53.44 52.93 3b95 n ALA 806 Cb 0.08 -0.97 0.10 0.00 0.00 0.00 0.00 19.45 18.67 3b95 n ALA 806 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3b95 n GLU 807 N 0.22 1.90 -0.88 0.00 1.02 -1.26 -4.96 120.64 116.69 3b95 n GLU 807 Ca 0.14 -2.25 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 3b95 n GLU 807 Cb 0.45 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3b95 n GLU 807 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3b95 n GLY 808 N -1.08 0.68 3.75 0.62 0.00 -1.23 -1.41 105.19 106.52 3b95 n GLY 808 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3b95 n GLY 808 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3b95 s SER 809 N -2.33 7.27 0.47 1.61 0.01 -1.26 -4.34 113.70 115.14 3b95 s SER 809 Ca 0.00 1.52 0.06 0.00 1.31 0.00 0.00 55.95 58.84 3b95 s SER 809 Cb 0.00 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.76 3b95 s SER 809 CO 0.00 0.02 0.65 0.42 0.41 0.00 0.00 173.24 174.74 3b95 s THR 810 N -0.16 2.84 0.48 1.44 -4.23 -1.26 0.25 115.64 115.00 3b95 s THR 810 Ca 0.39 -0.89 0.14 0.00 -1.18 0.00 0.00 61.69 60.15 3b95 s THR 810 Cb -0.21 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 70.96 3b95 s THR 810 CO 0.24 0.00 2.09 0.00 -0.54 0.00 0.00 174.62 176.42 3b95 h LEU 812 N 0.21 0.26 -0.16 0.00 5.85 -1.93 0.17 115.31 119.70 3b95 h LEU 812 Ca 0.09 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3b95 h LEU 812 Cb 0.12 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3b95 h LEU 812 CO -0.02 0.19 0.07 0.45 -0.34 0.00 0.00 178.44 178.80 3b95 h HIS 813 N 0.37 0.13 -0.91 1.25 3.86 -1.63 -2.17 115.15 116.05 3b95 h HIS 813 Ca 0.16 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3b95 h HIS 813 Cb 0.07 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 3b95 h HIS 813 CO -0.10 0.08 0.54 -0.07 0.86 0.00 0.00 177.93 179.23 3b95 h LEU 814 N 0.16 1.11 -0.32 2.43 3.38 -0.89 -0.38 115.31 120.80 3b95 h LEU 814 Ca 0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3b95 h LEU 814 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3b95 h LEU 814 CO -0.05 0.86 0.05 0.00 0.09 0.00 0.00 178.44 179.39 3b95 h ALA 815 N 1.29 0.43 -0.71 1.53 0.00 -0.84 -2.33 119.26 118.63 3b95 h ALA 815 Ca 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3b95 h ALA 815 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3b95 h ALA 815 CO -0.06 0.12 0.46 0.00 0.00 0.00 0.00 179.25 179.77 3b95 h ALA 816 N 0.89 0.90 -1.01 0.00 0.00 -1.02 -0.32 119.26 118.71 3b95 h ALA 816 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3b95 h ALA 816 Cb 0.35 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3b95 h ALA 816 CO 0.01 0.34 0.66 -0.22 0.00 0.00 0.00 179.25 180.03 3b95 h LYS 817 N 0.96 1.22 0.00 0.00 3.64 -0.89 -1.76 116.57 119.75 3b95 h LYS 817 Ca 0.26 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3b95 h LYS 817 Cb -0.08 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.46 3b95 h LYS 817 CO -0.05 0.81 -0.22 1.63 -2.27 0.00 0.00 179.45 179.35 3b95 n LYS 818 N -4.45 0.15 -1.15 1.90 4.76 -0.89 -4.82 118.16 113.65 3b95 n LYS 818 Ca 0.14 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 3b95 n LYS 818 Cb 0.11 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 3b95 n LYS 818 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b95 n GLY 819 N 1.40 0.54 3.57 0.72 0.00 -0.26 -4.98 105.19 106.18 3b95 n GLY 819 Ca 0.05 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 3b95 n GLY 819 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b95 s HIS 820 N -2.00 2.76 0.17 1.61 3.76 -0.42 -4.88 115.29 116.29 3b95 s HIS 820 Ca 0.00 -1.44 -0.26 0.00 -0.15 0.00 0.00 55.06 53.20 3b95 s HIS 820 Cb 0.00 -4.71 0.02 0.00 1.11 0.00 0.00 32.58 29.00 3b95 s HIS 820 CO 0.00 -1.82 1.56 -0.92 -0.85 0.00 0.00 174.74 172.72 3b95 h TYR 821 N 8.16 -1.37 -0.46 1.40 3.20 -1.94 0.22 116.97 126.18 3b95 h TYR 821 Ca 0.37 0.09 -0.06 0.00 3.14 0.00 0.00 58.73 62.27 3b95 h TYR 821 Cb 0.91 0.68 -0.02 0.00 1.54 0.00 0.00 36.73 39.84 3b95 h TYR 821 CO 1.37 -0.43 0.06 0.93 -1.64 0.00 0.00 178.16 178.45 3b95 h GLU 822 N -0.22 0.73 -0.18 1.82 5.08 -1.98 0.76 114.58 120.58 3b95 h GLU 822 Ca 0.17 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3b95 h GLU 822 Cb 0.56 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3b95 h GLU 822 CO -0.71 0.70 -0.15 0.28 -1.00 0.00 0.00 179.01 178.13 3b95 h VAL 823 N 0.70 1.33 -0.31 3.13 2.07 -1.80 -0.99 116.25 120.38 3b95 h VAL 823 Ca 0.15 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 3b95 h VAL 823 Cb 0.35 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3b95 h VAL 823 CO 0.01 0.38 0.01 0.58 0.02 0.00 0.00 177.57 178.57 3b95 h VAL 824 N 0.08 1.18 -0.32 2.57 2.07 -0.79 -1.57 116.25 119.47 3b95 h VAL 824 Ca 0.03 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 3b95 h VAL 824 Cb 0.67 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3b95 h VAL 824 CO 0.04 0.24 -0.08 -0.61 0.02 0.00 0.00 177.57 177.18 3b95 h GLN 825 N 0.45 0.62 -0.71 1.57 4.15 -0.66 -1.59 115.11 118.95 3b95 h GLN 825 Ca 0.10 -0.24 -0.06 0.00 0.77 0.00 0.00 58.65 59.22 3b95 h GLN 825 Cb 0.29 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 3b95 h GLN 825 CO 0.01 0.81 0.21 -0.92 -1.93 0.00 0.00 178.83 177.00 3b95 h TYR 826 N 0.40 1.15 0.00 3.99 3.20 -0.70 -1.67 116.97 123.34 3b95 h TYR 826 Ca 0.08 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 3b95 h TYR 826 Cb 0.58 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3b95 h TYR 826 CO 0.05 0.91 -0.22 -0.07 -1.64 0.00 0.00 178.16 177.19 3b95 h LEU 827 N 1.06 0.00 -2.96 2.82 3.38 -1.18 -3.00 115.31 115.43 3b95 h LEU 827 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3b95 h LEU 827 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3b95 h LEU 827 CO -0.00 0.22 0.00 0.18 0.09 0.00 0.00 178.44 178.93 3b95 n LEU 828 N -3.52 4.10 0.10 1.67 4.77 -0.61 -4.40 117.00 119.13 3b95 n LEU 828 Ca -0.01 -2.24 0.12 0.00 -0.03 0.00 0.00 56.01 53.86 3b95 n LEU 828 Cb 0.38 -0.48 0.20 0.00 -2.33 0.00 0.00 43.42 41.19 3b95 n LEU 828 CO 0.33 0.86 0.50 0.77 -1.33 0.00 0.00 177.39 178.52 3b95 h SER 829 N 3.67 0.00 0.06 -1.43 4.64 -1.18 -3.37 113.55 115.94 3b95 h SER 829 Ca 0.00 -0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.08 3b95 h SER 829 Cb 1.16 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3b95 h SER 829 CO 0.11 0.04 -0.64 -1.13 -0.87 0.00 0.00 176.83 174.34 3b95 h ASN 830 N 0.00 0.45 0.00 4.97 -1.24 -1.78 -3.48 115.58 114.51 3b95 h ASN 830 Ca 0.00 -0.86 0.00 0.00 0.71 0.00 0.00 56.30 56.15 3b95 h ASN 830 Cb 0.83 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.74 3b95 h ASN 830 CO 0.00 1.27 0.00 0.61 -1.29 0.00 0.00 177.43 178.02 3b95 n GLY 831 N 1.36 1.48 0.11 1.57 0.00 -1.26 -4.94 105.19 103.51 3b95 n GLY 831 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 3b95 n GLY 831 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3b95 h GLN 832 N 3.19 0.24 -7.19 1.61 4.20 -1.92 -3.45 115.11 111.78 3b95 h GLN 832 Ca 0.00 -0.25 -0.52 0.00 0.06 0.00 0.00 58.65 57.94 3b95 h GLN 832 Cb 0.00 0.07 0.13 0.00 0.30 0.00 0.00 27.48 27.97 3b95 h GLN 832 CO 0.00 0.96 0.38 -1.64 -0.67 0.00 0.00 178.83 177.86 3b95 s MET 833 N -3.20 2.48 -0.31 1.46 -1.94 -1.26 -5.01 119.30 111.52 3b95 s MET 833 Ca -0.15 1.55 -0.03 0.00 -1.71 0.00 0.00 55.69 55.35 3b95 s MET 833 Cb 0.02 -1.90 0.05 0.00 2.01 0.00 0.00 34.83 35.01 3b95 s MET 833 CO 0.76 -1.53 0.03 0.34 -0.01 0.00 0.00 175.02 174.62 3b95 s ASP 834 N -2.35 5.02 0.62 3.03 2.15 -1.26 -4.98 116.67 118.90 3b95 s ASP 834 Ca 0.70 -1.23 0.32 0.00 0.43 0.00 0.00 52.55 52.77 3b95 s ASP 834 Cb -0.24 -1.76 1.80 0.00 -0.30 0.00 0.00 42.92 42.42 3b95 s ASP 834 CO 0.43 -0.28 2.11 -0.37 -0.17 0.00 0.00 175.17 176.89 3b95 h VAL 835 N 6.38 0.28 -0.11 1.11 -1.51 -1.92 -1.64 116.25 118.83 3b95 h VAL 835 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 3b95 h VAL 835 Cb 1.07 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 3b95 h VAL 835 CO 0.55 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.48 3b95 n ASN 836 N -3.47 2.15 -4.69 4.19 3.02 -1.26 -4.13 115.26 111.07 3b95 n ASN 836 Ca 0.00 -1.73 -0.57 0.00 -0.03 0.00 0.00 54.58 52.25 3b95 n ASN 836 Cb 0.30 -0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.33 3b95 n ASN 836 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b95 s GLN 838 N 2.97 3.62 0.56 0.00 -0.21 -1.26 -4.30 119.66 121.04 3b95 s GLN 838 Ca 0.96 -0.01 -0.04 0.00 0.02 0.00 0.00 55.36 56.29 3b95 s GLN 838 Cb -1.07 -3.07 0.12 0.00 1.00 0.00 0.00 33.01 29.99 3b95 s GLN 838 CO 0.63 0.64 0.76 -0.40 -2.12 0.00 0.00 175.29 174.80 3b95 n ASP 839 N 1.15 0.64 0.30 5.90 5.68 -0.29 -4.84 116.55 125.08 3b95 n ASP 839 Ca -0.11 -1.63 0.19 0.00 -0.50 0.00 0.00 54.79 52.74 3b95 n ASP 839 Cb 0.53 -0.53 1.02 0.00 -1.14 0.00 0.00 41.12 41.00 3b95 n ASP 839 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3b95 h ASP 840 N -0.68 0.00 0.02 -1.12 3.45 -1.45 0.47 116.42 117.12 3b95 h ASP 840 Ca -0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.21 3b95 h ASP 840 Cb 0.83 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 3b95 h ASP 840 CO 0.23 0.00 -0.03 0.61 -1.57 0.00 0.00 179.24 178.48 3b95 n GLY 841 N -1.23 -0.19 1.53 2.75 0.00 -1.26 -4.91 105.19 101.89 3b95 n GLY 841 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3b95 n GLY 841 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b95 n GLY 842 N 1.18 0.61 3.82 -0.02 0.00 0.17 -2.42 105.19 108.52 3b95 n GLY 842 Ca 0.19 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3b95 n GLY 842 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3b95 s TRP 843 N -2.00 3.74 0.49 1.61 0.51 -1.26 -4.06 118.94 117.98 3b95 s TRP 843 Ca 0.00 1.26 0.06 0.00 -2.12 0.00 0.00 56.10 55.31 3b95 s TRP 843 Cb 0.00 -2.50 0.03 0.00 -0.81 0.00 0.00 33.47 30.19 3b95 s TRP 843 CO 0.00 0.51 0.67 0.95 -0.51 0.00 0.00 176.95 178.57 3b95 s THR 844 N -1.26 2.76 0.36 2.01 -4.23 -1.26 -1.14 115.64 112.88 3b95 s THR 844 Ca 0.34 -0.90 0.05 0.00 -1.18 0.00 0.00 61.69 59.99 3b95 s THR 844 Cb -0.18 -2.86 0.19 0.00 1.34 0.00 0.00 72.50 70.99 3b95 s THR 844 CO 0.20 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.56 3b95 h PRO 845 N 0.39 0.53 -0.59 3.99 0.11 -1.75 -2.13 132.00 132.56 3b95 h PRO 845 Ca -0.39 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3b95 h PRO 845 Cb 1.28 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3b95 h PRO 845 CO 0.46 0.49 0.25 1.98 -0.21 0.00 0.00 178.00 180.97 3b95 h MET 846 N 0.52 0.87 -0.04 1.05 4.05 -1.94 -0.95 114.93 118.49 3b95 h MET 846 Ca 0.12 -0.15 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 3b95 h MET 846 Cb 0.21 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 3b95 h MET 846 CO -0.00 0.73 -0.11 0.82 0.23 0.00 0.00 176.91 178.58 3b95 h ILE 847 N 0.80 1.11 -0.20 1.77 2.04 -1.78 0.77 117.51 122.02 3b95 h ILE 847 Ca 0.20 -0.48 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 3b95 h ILE 847 Cb 0.18 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3b95 h ILE 847 CO -0.02 0.14 -0.39 -0.50 0.00 0.00 0.00 178.15 177.39 3b95 h TRP 848 N 0.06 0.78 -0.85 1.37 4.06 -0.77 -1.91 115.95 118.69 3b95 h TRP 848 Ca 0.01 -0.28 0.00 0.00 2.06 0.00 0.00 58.89 60.68 3b95 h TRP 848 Cb 0.24 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.21 3b95 h TRP 848 CO 0.00 1.04 0.54 0.00 -3.56 0.00 0.00 178.44 176.46 3b95 h ALA 849 N 0.60 1.08 -0.54 1.49 0.00 -0.59 -2.78 119.26 118.53 3b95 h ALA 849 Ca 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3b95 h ALA 849 Cb 0.99 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3b95 h ALA 849 CO 0.09 0.51 0.16 1.15 0.00 0.00 0.00 179.25 181.16 3b95 h THR 850 N 1.16 1.24 -0.40 0.00 2.02 -0.77 -1.66 112.91 114.50 3b95 h THR 850 Ca 0.31 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 3b95 h THR 850 Cb -0.10 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3b95 h THR 850 CO -0.06 0.30 0.18 -0.08 0.37 0.00 0.00 175.52 176.23 3b95 h GLU 851 N 0.74 0.56 -0.64 6.66 4.81 -1.11 -2.26 114.58 123.34 3b95 h GLU 851 Ca 0.17 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3b95 h GLU 851 Cb 0.29 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3b95 h GLU 851 CO -0.00 0.45 0.00 0.66 -0.73 0.00 0.00 179.01 179.38 3b95 n TYR 852 N -4.40 1.43 -1.20 0.92 4.02 -0.93 -4.87 117.16 112.12 3b95 n TYR 852 Ca 0.03 -0.56 -0.07 0.00 -0.01 0.00 0.00 57.90 57.29 3b95 n TYR 852 Cb 0.13 -0.26 -0.03 0.00 -0.02 0.00 0.00 39.34 39.16 3b95 n TYR 852 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3b95 n LYS 853 N 0.97 -1.45 -2.18 -0.72 5.02 -0.76 -4.91 118.16 114.13 3b95 n LYS 853 Ca 0.24 0.69 -0.31 0.00 -2.02 0.00 0.00 58.31 56.90 3b95 n LYS 853 Cb 0.86 -4.90 -0.05 0.00 -0.02 0.00 0.00 35.03 30.92 3b95 n LYS 853 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3b95 s HIS 854 N -1.77 2.10 0.10 2.13 3.76 -0.70 -4.82 115.29 116.10 3b95 s HIS 854 Ca 0.00 0.07 -0.31 0.00 -0.15 0.00 0.00 55.06 54.67 3b95 s HIS 854 Cb 0.00 -4.18 -0.12 0.00 1.11 0.00 0.00 32.58 29.40 3b95 s HIS 854 CO 0.00 -1.46 1.59 0.28 -0.85 0.00 0.00 174.74 174.31 3b95 h VAL 855 N 6.33 0.18 -0.56 -0.90 2.07 -1.91 -1.98 116.25 119.49 3b95 h VAL 855 Ca 0.23 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.81 3b95 h VAL 855 Cb 0.94 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3b95 h VAL 855 CO 1.27 0.00 0.37 0.44 0.02 0.00 0.00 177.57 179.68 3b95 h ASP 856 N -0.71 0.48 -0.12 0.57 3.32 -1.99 0.47 116.42 118.43 3b95 h ASP 856 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3b95 h ASP 856 Cb 0.69 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3b95 h ASP 856 CO -0.17 0.31 0.06 0.25 -1.72 0.00 0.00 179.24 177.98 3b95 h LEU 857 N 0.54 0.15 -0.82 1.55 7.12 -1.86 0.16 115.31 122.15 3b95 h LEU 857 Ca 0.24 -0.10 0.07 0.00 0.13 0.00 0.00 57.88 58.22 3b95 h LEU 857 Cb 0.26 -0.04 -0.06 0.00 -0.53 0.00 0.00 40.66 40.29 3b95 h LEU 857 CO -0.07 0.20 0.50 0.58 -0.13 0.00 0.00 178.44 179.53 3b95 h VAL 858 N 0.09 1.01 0.30 1.05 2.07 -0.42 0.31 116.25 120.67 3b95 h VAL 858 Ca 0.04 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3b95 h VAL 858 Cb 0.09 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3b95 h VAL 858 CO -0.01 0.16 -0.16 0.11 0.02 0.00 0.00 177.57 177.69 3b95 h LYS 859 N 0.90 -0.42 0.15 1.57 1.79 -0.43 0.53 116.57 120.67 3b95 h LYS 859 Ca 0.37 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.88 3b95 h LYS 859 Cb 0.20 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 3b95 h LYS 859 CO -0.18 -0.28 -0.25 1.25 -1.08 0.00 0.00 179.45 178.91 3b95 h LEU 860 N -0.44 -0.70 -1.09 2.94 5.85 0.13 -1.36 115.31 120.65 3b95 h LEU 860 Ca -0.04 0.08 0.16 0.00 0.84 0.00 0.00 57.88 58.92 3b95 h LEU 860 Cb 0.35 0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.55 3b95 h LEU 860 CO 0.05 -0.35 0.61 -0.07 -0.34 0.00 0.00 178.44 178.35 3b95 h LEU 861 N -0.48 0.80 0.43 2.25 3.38 -0.28 -1.12 115.31 120.28 3b95 h LEU 861 Ca 0.02 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3b95 h LEU 861 Cb 0.48 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3b95 h LEU 861 CO -0.12 0.36 -0.25 -0.07 0.09 0.00 0.00 178.44 178.45 3b95 h LEU 862 N 0.82 -0.62 -2.00 1.67 3.38 0.08 -2.02 115.31 116.62 3b95 h LEU 862 Ca 0.52 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.67 3b95 h LEU 862 Cb 0.73 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3b95 h LEU 862 CO -0.29 -0.41 0.37 0.77 0.09 0.00 0.00 178.44 178.97 3b95 h SER 863 N -0.65 0.00 -0.10 -0.43 4.64 -0.25 -0.88 113.55 115.89 3b95 h SER 863 Ca -0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3b95 h SER 863 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3b95 h SER 863 CO 0.06 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 3b95 n LYS 864 N -4.38 1.66 -0.97 4.77 4.76 -0.53 -4.84 118.16 118.62 3b95 n LYS 864 Ca 0.09 -0.54 0.00 0.00 -2.87 0.00 0.00 58.31 55.00 3b95 n LYS 864 Cb 0.58 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 3b95 n LYS 864 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3b95 n GLY 865 N 0.11 0.60 3.72 0.72 0.00 -0.34 -4.83 105.19 105.17 3b95 n GLY 865 Ca 0.05 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3b95 n GLY 865 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3b95 s SER 866 N -2.75 6.77 -0.25 1.61 0.15 -0.97 -4.87 113.70 113.39 3b95 s SER 866 Ca 0.00 2.43 -0.22 0.00 0.70 0.00 0.00 55.95 58.86 3b95 s SER 866 Cb 0.00 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.70 3b95 s SER 866 CO 0.00 -0.68 0.72 -0.62 1.20 0.00 0.00 173.24 173.86 3b95 s ASP 867 N 0.94 6.69 0.11 5.45 -1.08 -1.26 -4.83 116.67 122.68 3b95 s ASP 867 Ca 0.64 0.85 0.23 0.00 -0.52 0.00 0.00 52.55 53.76 3b95 s ASP 867 Cb -0.39 -2.38 0.92 0.00 -1.46 0.00 0.00 42.92 39.61 3b95 s ASP 867 CO 0.33 -0.44 1.73 2.30 0.52 0.00 0.00 175.17 179.61 3b95 n ILE 868 N 5.22 0.58 0.97 4.11 -5.35 -1.26 -3.51 119.36 120.12 3b95 n ILE 868 Ca 0.02 0.04 0.12 0.00 -0.27 0.00 0.00 62.75 62.66 3b95 n ILE 868 Cb 0.48 -0.79 0.21 0.00 -1.74 0.00 0.00 39.64 37.80 3b95 n ILE 868 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3b95 n ASN 869 N -1.85 0.55 -4.67 7.28 3.02 -1.26 -4.19 115.26 114.15 3b95 n ASN 869 Ca 0.05 -0.30 -0.44 0.00 -0.03 0.00 0.00 54.58 53.86 3b95 n ASN 869 Cb 0.29 0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 3b95 n ASN 869 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3b95 n ILE 870 N -1.54 1.32 -4.34 2.41 2.08 -1.23 -4.93 119.36 113.12 3b95 n ILE 870 Ca 0.05 -0.33 -0.35 0.00 0.56 0.00 0.00 62.75 62.68 3b95 n ILE 870 Cb 0.34 -1.42 -0.10 0.00 -0.75 0.00 0.00 39.64 37.71 3b95 n ILE 870 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3b95 s ARG 871 N -0.90 3.12 0.00 0.38 1.81 -1.26 -4.31 118.95 117.79 3b95 s ARG 871 Ca 0.64 -0.41 0.00 0.00 -1.72 0.00 0.00 55.73 54.24 3b95 s ARG 871 Cb -0.64 -2.84 0.00 0.00 -0.45 0.00 0.00 34.95 31.02 3b95 s ARG 871 CO 0.54 0.64 0.00 -0.40 -0.68 0.00 0.00 175.30 175.40 3b95 n ASP 872 N 2.35 0.00 0.24 0.23 3.85 -0.27 -4.82 116.55 118.14 3b95 n ASP 872 Ca -0.18 -0.43 0.14 0.00 -0.71 0.00 0.00 54.79 53.60 3b95 n ASP 872 Cb 0.53 0.00 0.48 0.00 -1.35 0.00 0.00 41.12 40.78 3b95 n ASP 872 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 3b95 h ASN 873 N 0.00 0.00 -0.17 -1.12 2.35 -1.71 -1.82 115.58 113.12 3b95 h ASN 873 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3b95 h ASN 873 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3b95 h ASN 873 CO 0.00 0.08 0.00 -0.62 -1.65 0.00 0.00 177.43 175.24 3b95 n GLU 874 N -3.17 1.74 -2.09 0.81 1.02 -1.26 -4.91 120.64 112.78 3b95 n GLU 874 Ca 0.01 -1.11 -0.13 0.00 -0.02 0.00 0.00 57.16 55.92 3b95 n GLU 874 Cb 0.41 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 3b95 n GLU 874 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3b95 n GLU 875 N 0.33 -0.99 -3.09 3.49 -0.58 -0.68 -0.88 120.64 118.24 3b95 n GLU 875 Ca 0.16 0.67 -0.33 0.00 -0.42 0.00 0.00 57.16 57.25 3b95 n GLU 875 Cb 0.33 -4.85 -0.06 0.00 -0.57 0.00 0.00 31.44 26.29 3b95 n GLU 875 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3b95 s ASN 876 N -2.51 6.81 0.51 1.62 0.01 -1.26 -4.13 114.94 116.00 3b95 s ASN 876 Ca 0.00 1.35 0.07 0.00 -0.71 0.00 0.00 52.86 53.56 3b95 s ASN 876 Cb 0.00 -2.40 0.02 0.00 0.41 0.00 0.00 41.25 39.28 3b95 s ASN 876 CO 0.00 -0.21 0.42 0.27 -1.51 0.00 0.00 177.10 176.07 3b95 s ILE 877 N -1.98 1.99 0.35 0.60 -4.36 -1.26 -1.11 121.20 115.43 3b95 s ILE 877 Ca 0.55 -1.42 0.07 0.00 -0.26 0.00 0.00 60.65 59.59 3b95 s ILE 877 Cb -0.10 -2.41 0.31 0.00 1.25 0.00 0.00 42.46 41.50 3b95 s ILE 877 CO 0.17 0.00 1.89 0.00 0.24 0.00 0.00 174.94 177.24 3b95 h LEU 879 N 0.77 0.09 -0.94 0.00 5.85 -1.94 -0.88 115.31 118.26 3b95 h LEU 879 Ca 0.41 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.04 3b95 h LEU 879 Cb 0.52 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3b95 h LEU 879 CO -0.17 0.06 -0.22 0.45 -0.34 0.00 0.00 178.44 178.21 3b95 h HIS 880 N 0.10 0.58 0.01 1.25 3.86 -1.69 0.10 115.15 119.35 3b95 h HIS 880 Ca 0.11 -0.12 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 3b95 h HIS 880 Cb 0.32 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 3b95 h HIS 880 CO -0.00 0.70 -0.99 -1.49 0.86 0.00 0.00 177.93 177.01 3b95 h TRP 881 N 0.46 0.03 -0.56 2.45 4.06 -1.26 0.94 115.95 122.08 3b95 h TRP 881 Ca 0.07 -0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.93 3b95 h TRP 881 Cb 0.64 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.78 3b95 h TRP 881 CO 0.02 1.00 0.04 0.00 -3.56 0.00 0.00 178.44 175.94 3b95 h ALA 882 N 1.00 0.74 -0.50 1.49 0.00 -0.98 -0.07 119.26 120.95 3b95 h ALA 882 Ca -0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 3b95 h ALA 882 Cb 1.75 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 3b95 h ALA 882 CO 0.13 0.53 -0.09 0.00 0.00 0.00 0.00 179.25 179.82 3b95 h ALA 883 N 0.98 0.90 0.21 0.00 0.00 -0.86 -0.17 119.26 120.32 3b95 h ALA 883 Ca 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3b95 h ALA 883 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3b95 h ALA 883 CO 0.02 0.64 -0.10 0.35 0.00 0.00 0.00 179.25 180.16 3b95 h PHE 884 N 0.82 -0.26 0.00 0.00 3.57 -0.14 -3.18 116.94 117.74 3b95 h PHE 884 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3b95 h PHE 884 Cb 0.62 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.44 3b95 h PHE 884 CO 0.04 -0.06 -0.26 -1.13 -2.23 0.00 0.00 178.31 174.68 3b95 n SER 885 N -5.15 0.78 0.00 0.41 3.41 -0.10 -4.91 113.62 108.06 3b95 n SER 885 Ca -0.09 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 3b95 n SER 885 Cb 0.18 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3b95 n SER 885 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b95 n GLY 886 N 1.32 1.01 3.35 5.00 0.00 -0.13 -5.04 105.19 110.70 3b95 n GLY 886 Ca 0.05 -0.45 -0.45 0.00 0.00 0.00 0.00 46.02 45.16 3b95 n GLY 886 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b95 h VAL 888 N 5.76 0.58 -0.33 0.00 -1.51 -1.94 -0.43 116.25 118.37 3b95 h VAL 888 Ca -0.22 -0.73 -0.13 0.00 -1.23 0.00 0.00 66.70 64.40 3b95 h VAL 888 Cb 1.08 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 3b95 h VAL 888 CO 1.04 0.16 -0.28 0.44 -1.23 0.00 0.00 177.57 177.69 3b95 h ASP 889 N 0.00 0.83 -0.12 4.19 3.32 -1.98 0.10 116.42 122.76 3b95 h ASP 889 Ca -0.00 -0.45 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 3b95 h ASP 889 Cb 0.46 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3b95 h ASP 889 CO 0.02 1.11 -0.07 0.40 -1.72 0.00 0.00 179.24 178.98 3b95 h ILE 890 N 0.56 1.33 -0.69 0.35 2.04 -1.87 -1.29 117.51 117.94 3b95 h ILE 890 Ca 0.06 -1.14 0.13 0.00 1.00 0.00 0.00 64.86 64.91 3b95 h ILE 890 Cb 0.86 1.81 -0.09 0.00 -0.74 0.00 0.00 36.82 38.66 3b95 h ILE 890 CO 0.07 0.33 0.22 0.00 0.00 0.00 0.00 178.15 178.77 3b95 h ALA 891 N 0.64 0.90 -0.19 1.87 0.00 -1.00 -0.67 119.26 120.81 3b95 h ALA 891 Ca 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3b95 h ALA 891 Cb 0.55 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3b95 h ALA 891 CO 0.02 -0.26 0.09 1.49 0.00 0.00 0.00 179.25 180.60 3b95 h GLU 892 N 0.35 0.28 -0.14 0.00 4.81 -0.61 0.82 114.58 120.09 3b95 h GLU 892 Ca 0.37 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.59 3b95 h GLU 892 Cb 0.57 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 3b95 h GLU 892 CO -0.41 0.30 -0.03 0.82 -0.73 0.00 0.00 179.01 178.96 3b95 h ILE 893 N 0.19 0.87 -0.82 2.32 2.04 -0.07 0.69 117.51 122.72 3b95 h ILE 893 Ca 0.07 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 3b95 h ILE 893 Cb 0.11 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3b95 h ILE 893 CO -0.01 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 178.61 3b95 h LEU 894 N 0.00 0.95 -0.89 1.44 3.38 -1.03 0.20 115.31 119.37 3b95 h LEU 894 Ca 0.07 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3b95 h LEU 894 Cb 0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3b95 h LEU 894 CO -0.14 0.70 0.33 -0.07 0.09 0.00 0.00 178.44 179.35 3b95 h LEU 895 N 1.11 1.04 -1.79 1.67 3.38 -0.31 -0.78 115.31 119.63 3b95 h LEU 895 Ca 0.30 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3b95 h LEU 895 Cb -0.11 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.37 3b95 h LEU 895 CO -0.06 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.38 3b95 h ALA 896 N 1.24 1.00 -0.23 1.53 0.00 0.30 -1.68 119.26 121.42 3b95 h ALA 896 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3b95 h ALA 896 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3b95 h ALA 896 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3b95 n ALA 897 N -2.07 2.54 -2.89 0.00 0.00 -0.06 -4.90 120.51 113.13 3b95 n ALA 897 Ca -0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 3b95 n ALA 897 Cb 0.24 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.75 3b95 n ALA 897 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3b95 n LYS 898 N 0.19 -1.73 -4.24 0.00 5.02 -0.63 -5.04 118.16 111.73 3b95 n LYS 898 Ca 0.08 0.76 -0.28 0.00 -2.02 0.00 0.00 58.31 56.84 3b95 n LYS 898 Cb 0.25 -4.97 -0.09 0.00 -0.02 0.00 0.00 35.03 30.20 3b95 n LYS 898 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3b95 s ASP 900 N -2.48 6.06 0.39 0.00 -1.08 -1.26 -4.84 116.67 113.45 3b95 s ASP 900 Ca 0.23 2.13 0.21 0.00 -0.52 0.00 0.00 52.55 54.60 3b95 s ASP 900 Cb -0.10 -2.52 0.25 0.00 -1.46 0.00 0.00 42.92 39.09 3b95 s ASP 900 CO 0.15 -1.45 1.54 0.25 0.52 0.00 0.00 175.17 176.19 3b95 h LEU 901 N 12.56 0.00 -3.04 -1.34 7.12 -1.98 -3.22 115.31 125.41 3b95 h LEU 901 Ca -0.43 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.58 3b95 h LEU 901 Cb 1.22 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 3b95 h LEU 901 CO 0.96 0.14 0.00 1.41 -0.13 0.00 0.00 178.44 180.82 3b95 n HIS 902 N -3.12 1.04 -1.82 1.25 8.25 -1.26 -4.30 115.22 115.26 3b95 n HIS 902 Ca 0.03 -0.61 -0.41 0.00 -0.26 0.00 0.00 57.72 56.47 3b95 n HIS 902 Cb 0.59 -0.16 -0.00 0.00 1.12 0.00 0.00 29.99 31.53 3b95 n HIS 902 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3b95 s ALA 903 N -1.66 3.59 0.07 -1.41 0.00 -1.22 -4.93 121.76 116.19 3b95 s ALA 903 Ca 0.41 1.56 0.07 0.00 0.00 0.00 0.00 51.96 54.00 3b95 s ALA 903 Cb 0.26 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3b95 s ALA 903 CO 0.21 -1.02 -0.18 0.14 0.00 0.00 0.00 175.76 174.90 3b95 s VAL 904 N -0.98 1.46 0.00 0.00 -7.23 -1.26 -3.97 120.40 108.42 3b95 s VAL 904 Ca 0.54 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 3b95 s VAL 904 Cb -0.46 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.16 3b95 s VAL 904 CO 0.61 -0.01 0.00 -0.46 -0.31 0.00 0.00 175.10 174.93 3b95 n ASN 905 N 1.50 0.00 0.00 4.85 0.23 -0.93 -4.86 115.26 116.04 3b95 n ASN 905 Ca -0.19 -0.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.96 3b95 n ASN 905 Cb 0.54 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.25 3b95 n ASN 905 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3b95 n ILE 906 N -1.08 0.00 -0.03 1.53 3.06 -0.06 -0.81 119.36 121.98 3b95 n ILE 906 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3b95 n ILE 906 Cb 0.00 -0.96 0.00 0.00 0.54 0.00 0.00 39.64 39.22 3b95 n ILE 906 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 3b95 n HIS 907 N -0.97 0.00 0.00 9.51 8.25 -1.26 -4.96 115.22 125.79 3b95 n HIS 907 Ca 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 3b95 n HIS 907 Cb 0.00 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.09 3b95 n HIS 907 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b95 n GLY 908 N -0.22 2.67 3.69 -1.41 0.00 0.01 -1.18 105.19 108.74 3b95 n GLY 908 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3b95 n GLY 908 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3b95 n ASP 909 N 0.00 3.50 -5.04 1.61 10.43 -1.26 -4.55 116.55 121.24 3b95 n ASP 909 Ca 0.00 1.08 -0.20 0.00 2.57 0.00 0.00 54.79 58.24 3b95 n ASP 909 Cb 0.00 -1.50 0.07 0.00 1.84 0.00 0.00 41.12 41.53 3b95 n ASP 909 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3b95 s SER 910 N 0.96 5.03 0.17 -2.24 1.04 -1.26 -2.20 113.70 115.20 3b95 s SER 910 Ca 0.76 -0.91 -0.13 0.00 0.48 0.00 0.00 55.95 56.15 3b95 s SER 910 Cb -0.59 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.04 3b95 s SER 910 CO 0.37 -1.42 1.77 -0.65 0.98 0.00 0.00 173.24 174.28 3b95 h PRO 911 N 0.11 0.83 -0.90 4.02 0.11 -1.75 -2.48 132.00 131.94 3b95 h PRO 911 Ca -0.28 -0.11 0.09 0.00 0.11 0.00 0.00 66.00 65.81 3b95 h PRO 911 Cb 1.29 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 3b95 h PRO 911 CO 0.40 0.66 0.55 1.25 -0.21 0.00 0.00 178.00 180.65 3b95 h LEU 912 N 0.80 0.83 -0.29 2.35 5.85 -1.95 0.39 115.31 123.28 3b95 h LEU 912 Ca 0.20 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.02 3b95 h LEU 912 Cb 0.08 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3b95 h LEU 912 CO -0.03 0.48 -0.10 0.45 -0.34 0.00 0.00 178.44 178.90 3b95 h HIS 913 N 0.94 -0.23 -0.44 1.25 3.86 -1.82 -0.44 115.15 118.26 3b95 h HIS 913 Ca 0.42 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.64 3b95 h HIS 913 Cb 0.33 0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 3b95 h HIS 913 CO -0.03 -0.16 0.18 0.82 0.86 0.00 0.00 177.93 179.59 3b95 h ILE 914 N -0.04 1.20 -0.07 2.45 2.04 -0.84 -0.63 117.51 121.61 3b95 h ILE 914 Ca 0.15 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.40 3b95 h ILE 914 Cb 0.27 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3b95 h ILE 914 CO -0.33 0.23 -0.04 0.00 0.00 0.00 0.00 178.15 178.01 3b95 h ALA 915 N 1.02 0.02 -0.29 1.87 0.00 -0.56 0.75 119.26 122.08 3b95 h ALA 915 Ca 0.15 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3b95 h ALA 915 Cb 0.19 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3b95 h ALA 915 CO -0.01 -0.52 0.17 0.00 0.00 0.00 0.00 179.25 178.89 3b95 h ALA 916 N 1.02 0.36 0.00 0.00 0.00 -0.95 -0.73 119.26 118.97 3b95 h ALA 916 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3b95 h ALA 916 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3b95 h ALA 916 CO -0.10 -0.13 -0.25 -0.09 0.00 0.00 0.00 179.25 178.68 3b95 h ARG 917 N 0.36 0.00 -0.84 0.00 2.43 -0.79 -2.67 114.38 112.87 3b95 h ARG 917 Ca 0.10 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.77 3b95 h ARG 917 Cb 0.02 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 29.30 3b95 h ARG 917 CO -0.02 0.25 0.43 0.39 -1.51 0.00 0.00 179.97 179.51 3b95 n GLU 918 N -3.82 2.43 -3.42 0.20 -0.58 0.23 -4.93 120.64 110.75 3b95 n GLU 918 Ca -0.02 -3.25 -0.18 0.00 -0.42 0.00 0.00 57.16 53.29 3b95 n GLU 918 Cb 0.35 -2.15 -0.05 0.00 -0.57 0.00 0.00 31.44 29.02 3b95 n GLU 918 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3b95 n ASN 919 N -1.03 0.23 -4.52 1.62 5.15 -1.01 -4.91 115.26 110.80 3b95 n ASN 919 Ca 0.54 -0.69 -0.43 0.00 -0.60 0.00 0.00 54.58 53.40 3b95 n ASN 919 Cb 1.15 -0.86 -0.07 0.00 -0.53 0.00 0.00 39.78 39.47 3b95 n ASN 919 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3b95 s ARG 920 N -5.18 3.29 -0.06 1.20 3.00 -0.31 -4.95 118.95 115.94 3b95 s ARG 920 Ca 0.09 -0.40 -0.08 0.00 0.00 0.00 0.00 55.73 55.33 3b95 s ARG 920 Cb -0.05 -3.94 -0.04 0.00 0.00 0.00 0.00 34.95 30.92 3b95 s ARG 920 CO 0.54 -0.95 0.33 -0.92 0.00 0.00 0.00 175.30 174.30 3b95 h TYR 921 N 8.81 -0.26 -0.88 -0.53 3.20 -1.91 -3.04 116.97 122.36 3b95 h TYR 921 Ca -0.26 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 61.78 3b95 h TYR 921 Cb 1.10 0.09 -0.10 0.00 1.54 0.00 0.00 36.73 39.35 3b95 h TYR 921 CO 0.71 -0.16 0.45 -0.44 -1.64 0.00 0.00 178.16 177.07 3b95 h ASP 922 N -1.05 0.51 0.51 -2.11 3.32 -1.95 0.22 116.42 115.87 3b95 h ASP 922 Ca -0.03 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3b95 h ASP 922 Cb 0.22 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3b95 h ASP 922 CO 0.05 0.17 -0.24 0.00 -1.72 0.00 0.00 179.24 177.49 3b95 h VAL 924 N -0.80 0.87 -0.48 0.00 3.04 -1.32 0.49 116.25 118.05 3b95 h VAL 924 Ca -0.07 -0.29 -0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3b95 h VAL 924 Cb 0.57 -0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 29.78 3b95 h VAL 924 CO 0.11 0.16 0.28 0.58 -1.01 0.00 0.00 177.57 177.69 3b95 h VAL 925 N 0.85 1.15 -0.67 1.51 2.07 -0.63 0.10 116.25 120.63 3b95 h VAL 925 Ca 0.48 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 3b95 h VAL 925 Cb 0.62 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3b95 h VAL 925 CO -0.25 0.16 0.12 0.25 0.02 0.00 0.00 177.57 177.87 3b95 h LEU 926 N 0.63 1.06 -1.00 2.57 5.85 0.12 -0.39 115.31 124.15 3b95 h LEU 926 Ca 0.17 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 3b95 h LEU 926 Cb 0.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3b95 h LEU 926 CO -0.03 1.04 -0.33 -0.26 -0.34 0.00 0.00 178.44 178.53 3b95 h PHE 927 N 1.03 0.35 0.13 1.25 0.05 0.43 -1.62 116.94 118.55 3b95 h PHE 927 Ca 0.20 -0.08 -0.26 0.00 3.82 0.00 0.00 57.97 61.66 3b95 h PHE 927 Cb 0.43 -0.08 0.03 0.00 2.00 0.00 0.00 35.95 38.32 3b95 h PHE 927 CO 0.03 0.61 -1.08 -0.07 -0.18 0.00 0.00 178.31 177.62 3b95 h LEU 928 N 0.27 0.73 -1.74 1.54 3.38 -0.67 0.14 115.31 118.96 3b95 h LEU 928 Ca 0.03 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.15 3b95 h LEU 928 Cb 0.71 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3b95 h LEU 928 CO 0.05 1.52 0.00 0.77 0.09 0.00 0.00 178.44 180.87 3b95 h SER 929 N 0.05 0.00 -0.56 -0.43 4.64 -0.95 0.62 113.55 116.91 3b95 h SER 929 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3b95 h SER 929 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 3b95 h SER 929 CO 0.21 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 175.03 3b95 n ARG 930 N -2.53 2.62 -1.69 4.77 3.00 -0.62 -4.98 116.66 117.24 3b95 n ARG 930 Ca -0.01 -2.48 -0.04 0.00 -0.00 0.00 0.00 57.85 55.32 3b95 n ARG 930 Cb 0.09 -1.54 -0.01 0.00 0.00 0.00 0.00 32.46 31.00 3b95 n ARG 930 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3b95 n ASP 931 N 1.58 -2.53 -4.77 6.15 -0.08 0.22 -5.00 116.55 112.12 3b95 n ASP 931 Ca 0.22 0.04 -0.40 0.00 -1.51 0.00 0.00 54.79 53.13 3b95 n ASP 931 Cb 0.62 -1.31 -0.00 0.00 2.34 0.00 0.00 41.12 42.76 3b95 n ASP 931 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3b95 s SER 932 N -2.88 6.38 -0.31 1.67 0.15 0.42 -4.88 113.70 114.26 3b95 s SER 932 Ca 0.00 2.83 -0.29 0.00 0.70 0.00 0.00 55.95 59.19 3b95 s SER 932 Cb 0.00 -2.65 -0.01 0.00 -1.71 0.00 0.00 66.02 61.65 3b95 s SER 932 CO 0.00 -0.82 1.53 -0.62 1.20 0.00 0.00 173.24 174.53 3b95 s ASP 933 N -0.44 6.33 0.42 5.45 -1.08 -1.26 -4.82 116.67 121.27 3b95 s ASP 933 Ca 0.54 1.26 0.29 0.00 -0.52 0.00 0.00 52.55 54.12 3b95 s ASP 933 Cb -0.42 -2.53 1.11 0.00 -1.46 0.00 0.00 42.92 39.62 3b95 s ASP 933 CO 0.56 -1.36 1.85 0.58 0.52 0.00 0.00 175.17 177.32 3b95 h VAL 934 N 6.33 0.00 0.00 1.11 2.07 -1.99 -3.13 116.25 120.63 3b95 h VAL 934 Ca -0.30 -0.46 -0.26 0.00 0.82 0.00 0.00 66.70 66.50 3b95 h VAL 934 Cb 1.13 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 3b95 h VAL 934 CO 1.04 0.00 -1.49 0.71 0.02 0.00 0.00 177.57 177.85 3b95 h THR 935 N 0.00 1.04 -1.61 2.57 1.35 -2.00 -3.37 112.91 110.89 3b95 h THR 935 Ca 0.00 -2.83 -0.71 0.00 -0.55 0.00 0.00 66.41 62.32 3b95 h THR 935 Cb 0.52 2.50 0.03 0.00 -1.73 0.00 0.00 68.15 69.47 3b95 h THR 935 CO 0.00 0.59 0.71 -0.11 -0.25 0.00 0.00 175.52 176.47 3b95 n LEU 936 N -3.11 2.08 -4.91 3.87 7.94 -1.19 -4.77 117.00 116.91 3b95 n LEU 936 Ca -0.12 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.58 3b95 n LEU 936 Cb 1.00 -1.16 -0.04 0.00 0.53 0.00 0.00 43.42 43.75 3b95 n LEU 936 CO 0.45 -0.69 0.08 -0.54 -1.11 0.00 0.00 177.39 175.58 3b95 s LYS 937 N 2.25 3.59 0.25 1.96 1.02 -1.26 -4.05 119.74 123.50 3b95 s LYS 937 Ca 0.92 -0.16 0.04 0.00 0.02 0.00 0.00 55.97 56.80 3b95 s LYS 937 Cb -1.02 -2.79 0.04 0.00 -0.52 0.00 0.00 37.83 33.55 3b95 s LYS 937 CO 0.58 0.37 0.33 0.27 -0.92 0.00 0.00 175.35 175.98 3b95 n ASN 938 N -0.49 0.96 0.00 2.83 0.23 -0.45 -4.88 115.26 113.45 3b95 n ASN 938 Ca -0.03 -1.67 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 3b95 n ASN 938 Cb 0.53 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 3b95 n ASN 938 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 3b95 n LYS 939 N -1.51 0.00 -0.40 -3.83 3.00 -0.33 -1.46 118.16 113.63 3b95 n LYS 939 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.39 3b95 n LYS 939 Cb 0.26 -1.25 0.02 0.00 0.00 0.00 0.00 35.03 34.06 3b95 n LYS 939 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3b95 n GLU 940 N -0.63 0.24 -1.02 1.64 2.13 -1.26 -5.00 120.64 116.74 3b95 n GLU 940 Ca 0.00 -1.23 -0.01 0.00 0.66 0.00 0.00 57.16 56.58 3b95 n GLU 940 Cb 0.00 -0.67 -0.00 0.00 0.27 0.00 0.00 31.44 31.04 3b95 n GLU 940 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3b95 n GLY 941 N -0.24 0.48 3.82 8.31 0.00 -0.53 -5.02 105.19 112.00 3b95 n GLY 941 Ca 0.03 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 3b95 n GLY 941 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b95 s GLU 942 N -0.81 3.85 0.24 1.61 2.02 -1.26 -4.81 118.70 119.53 3b95 s GLU 942 Ca 0.00 0.08 -0.03 0.00 0.02 0.00 0.00 54.97 55.04 3b95 s GLU 942 Cb 0.00 -3.28 0.05 0.00 0.10 0.00 0.00 34.13 31.01 3b95 s GLU 942 CO 0.00 0.58 0.32 0.25 0.02 0.00 0.00 175.26 176.43 3b95 n THR 943 N 2.45 0.00 0.05 3.63 -2.24 -1.26 -1.34 114.28 115.57 3b95 n THR 943 Ca -0.16 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.23 3b95 n THR 943 Cb 0.53 -1.74 0.01 0.00 -2.10 0.00 0.00 70.33 67.04 3b95 n THR 943 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3b95 h PRO 944 N 0.00 0.44 -0.97 -0.78 0.13 -1.72 -3.26 132.00 125.83 3b95 h PRO 944 Ca -0.10 -0.37 0.11 0.00 -0.87 0.00 0.00 66.00 64.76 3b95 h PRO 944 Cb 0.30 0.08 -0.08 0.00 0.13 0.00 0.00 31.00 31.44 3b95 h PRO 944 CO 0.08 1.01 0.61 1.25 -0.23 0.00 0.00 178.00 180.72 3b95 h LEU 945 N 0.30 0.90 -1.08 1.56 5.85 -1.93 0.33 115.31 121.24 3b95 h LEU 945 Ca -0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3b95 h LEU 945 Cb 1.34 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3b95 h LEU 945 CO 0.13 0.50 0.00 1.56 -0.34 0.00 0.00 178.44 180.29 3b95 h GLN 946 N 0.99 0.00 0.00 1.25 4.20 -1.93 -2.31 115.11 117.30 3b95 h GLN 946 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 3b95 h GLN 946 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3b95 h GLN 946 CO -0.25 0.00 -0.77 0.00 -0.67 0.00 0.00 178.83 177.14 3b95 s ALA 948 N -3.23 3.05 0.29 0.00 0.00 -0.12 -3.77 121.76 117.98 3b95 s ALA 948 Ca 0.04 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.60 3b95 s ALA 948 Cb 0.12 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 3b95 s ALA 948 CO 0.75 -0.52 1.13 0.45 0.00 0.00 0.00 175.76 177.57 3b95 s SER 949 N -1.34 7.16 0.25 0.00 0.15 -1.26 -4.93 113.70 113.73 3b95 s SER 949 Ca 0.60 2.33 -0.30 0.00 0.70 0.00 0.00 55.95 59.27 3b95 s SER 949 Cb -0.28 -2.63 -0.11 0.00 -1.71 0.00 0.00 66.02 61.30 3b95 s SER 949 CO 0.34 -0.22 1.56 -0.22 1.20 0.00 0.00 173.24 175.90 3b95 s LEU 950 N -1.56 4.36 0.00 3.45 0.20 -1.26 -2.71 118.68 121.16 3b95 s LEU 950 Ca 0.46 2.82 0.00 0.00 0.69 0.00 0.00 54.13 58.10 3b95 s LEU 950 Cb -0.33 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 41.81 3b95 s LEU 950 CO 0.42 -0.85 0.00 0.59 -0.29 0.00 0.00 176.35 176.22 3b95 n ASN 951 N 2.66 -0.78 -4.79 3.68 3.02 -1.26 -4.96 115.26 112.82 3b95 n ASN 951 Ca 0.09 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.35 3b95 n ASN 951 Cb 0.38 -1.98 0.10 0.00 -0.61 0.00 0.00 39.78 37.67 3b95 n ASN 951 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3b95 s SER 952 N -2.22 4.32 0.30 6.41 1.04 -1.10 -4.84 113.70 117.60 3b95 s SER 952 Ca 0.00 1.30 -0.00 0.00 0.48 0.00 0.00 55.95 57.72 3b95 s SER 952 Cb 0.00 -2.01 0.47 0.00 0.10 0.00 0.00 66.02 64.57 3b95 s SER 952 CO 0.00 -2.08 1.90 1.56 0.98 0.00 0.00 173.24 175.59 3b95 h GLN 953 N -1.17 0.87 0.56 4.02 4.20 -1.93 -1.41 115.11 120.25 3b95 h GLN 953 Ca -0.47 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.09 3b95 h GLN 953 Cb 1.27 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 3b95 h GLN 953 CO 0.59 0.69 -0.38 0.28 -0.67 0.00 0.00 178.83 179.34 3b95 h VAL 954 N 0.86 0.22 -0.78 -0.54 2.07 -1.91 -0.70 116.25 115.47 3b95 h VAL 954 Ca 0.21 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.89 3b95 h VAL 954 Cb 0.13 0.22 -0.10 0.00 -1.52 0.00 0.00 31.29 30.02 3b95 h VAL 954 CO -0.02 0.00 0.30 -0.25 0.02 0.00 0.00 177.57 177.62 3b95 h TRP 955 N -0.91 0.51 -0.56 1.57 7.01 -1.63 -0.03 115.95 121.90 3b95 h TRP 955 Ca -0.06 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 3b95 h TRP 955 Cb 0.75 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.68 3b95 h TRP 955 CO -0.13 0.02 0.34 1.03 -2.79 0.00 0.00 178.44 176.91 3b95 h SER 956 N 0.41 0.67 0.84 2.65 0.87 -0.85 -1.14 113.55 117.00 3b95 h SER 956 Ca 0.45 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.87 3b95 h SER 956 Cb 0.73 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 3b95 h SER 956 CO -0.45 0.53 -0.38 0.00 -0.53 0.00 0.00 176.83 176.00 3b95 h ALA 957 N 1.17 1.00 -0.03 6.23 0.00 0.33 -2.60 119.26 125.36 3b95 h ALA 957 Ca 0.20 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3b95 h ALA 957 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3b95 h ALA 957 CO -0.04 0.48 -0.12 -0.07 0.00 0.00 0.00 179.25 179.50 3b95 h LEU 958 N 0.00 0.16 -0.12 0.00 3.38 -0.67 -2.47 115.31 115.58 3b95 h LEU 958 Ca -0.00 -0.65 0.03 0.00 0.09 0.00 0.00 57.88 57.35 3b95 h LEU 958 Cb 0.90 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 3b95 h LEU 958 CO 0.05 0.78 -0.51 1.56 0.09 0.00 0.00 178.44 180.41 3b95 h GLN 959 N -0.46 -0.55 -0.61 1.13 1.08 -1.18 0.88 115.11 115.41 3b95 h GLN 959 Ca -0.01 0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.29 3b95 h GLN 959 Cb 0.77 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 28.24 3b95 h GLN 959 CO 0.03 -0.36 -0.47 1.98 -0.95 0.00 0.00 178.83 179.05 3b95 h MET 960 N -0.57 -0.13 -0.22 1.46 4.05 -1.54 0.25 114.93 118.23 3b95 h MET 960 Ca 0.04 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.53 3b95 h MET 960 Cb 0.67 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.43 3b95 h MET 960 CO -0.42 -0.09 -0.26 1.03 0.23 0.00 0.00 176.91 177.40 3b95 h SER 961 N -0.13 -0.82 -0.17 1.39 0.87 -0.76 0.71 113.55 114.64 3b95 h SER 961 Ca 0.10 0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 3b95 h SER 961 Cb 0.39 0.38 -0.04 0.00 -0.44 0.00 0.00 62.40 62.69 3b95 h SER 961 CO -0.64 -0.29 -0.27 0.11 -0.53 0.00 0.00 176.83 175.20 3b95 h LYS 962 N -0.28 -0.21 0.50 2.24 1.57 0.26 -1.81 116.57 118.84 3b95 h LYS 962 Ca 0.13 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3b95 h LYS 962 Cb 0.48 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3b95 h LYS 962 CO -0.38 -0.14 -0.46 0.00 -0.57 0.00 0.00 179.45 177.90 3b95 h ALA 963 N -0.73 -1.14 0.00 3.86 0.00 -0.17 -1.59 119.26 119.49 3b95 h ALA 963 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3b95 h ALA 963 Cb 0.30 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3b95 h ALA 963 CO -0.27 -1.16 0.86 1.37 0.00 0.00 0.00 179.25 180.04 3b95 h LEU 964 N -0.95 0.00 0.00 0.00 -0.00 0.63 0.30 115.31 115.30 3b95 h LEU 964 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 3b95 h LEU 964 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.47 3b95 h LEU 964 CO -0.03 0.00 -0.55 0.00 -0.00 0.00 0.00 178.44 177.86 3b95 n GLN 965 N -2.58 0.46 0.00 0.17 3.00 -0.70 -4.16 117.38 113.57 3b95 n GLN 965 Ca -0.00 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 3b95 n GLN 965 Cb 0.87 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 29.43 3b95 n GLN 965 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3b95 n ASP 966 N -4.60 0.34 0.00 1.08 5.75 0.97 -5.13 116.55 114.96 3b95 n ASP 966 Ca -0.08 -0.36 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 3b95 n ASP 966 Cb 0.28 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3b95 n ASP 966 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55