#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x36 h MET 756 N 0.00 0.94 -5.73 -0.14 1.85 -2.00 -3.42 114.93 106.43 2x36 h MET 756 Ca 0.00 -0.06 -0.48 0.00 -0.61 0.00 0.00 59.70 58.55 2x36 h MET 756 Cb 0.00 -0.21 -0.17 0.00 0.43 0.00 0.00 31.60 31.64 2x36 h MET 756 CO 0.00 0.62 -0.77 0.71 -0.40 0.00 0.00 176.91 177.08 2x36 s TYR 757 N -6.13 1.68 -0.27 1.39 1.51 -1.26 -5.03 117.35 109.25 2x36 s TYR 757 Ca -0.13 -0.51 -0.12 0.00 -1.01 0.00 0.00 57.07 55.30 2x36 s TYR 757 Cb 0.15 -0.84 -0.12 0.00 -0.11 0.00 0.00 41.96 41.04 2x36 s TYR 757 CO 0.78 0.28 -0.33 -0.40 -1.11 0.00 0.00 175.55 174.77 2x36 n ASP 758 N 0.24 1.90 -3.91 2.29 3.85 -1.26 -4.86 116.55 114.80 2x36 n ASP 758 Ca -0.13 0.28 -0.21 0.00 -0.71 0.00 0.00 54.79 54.02 2x36 n ASP 758 Cb 0.58 -0.74 -0.16 0.00 -1.35 0.00 0.00 41.12 39.44 2x36 n ASP 758 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2x36 s VAL 759 N -2.49 0.62 0.11 2.12 0.11 -1.26 -4.91 120.40 114.70 2x36 s VAL 759 Ca -0.37 -0.17 -0.28 0.00 -2.93 0.00 0.00 61.98 58.24 2x36 s VAL 759 Cb 0.14 -0.63 -0.06 0.00 -1.53 0.00 0.00 36.38 34.29 2x36 s VAL 759 CO 0.48 0.25 0.88 0.42 -3.33 0.00 0.00 175.10 173.79 2x36 s THR 760 N 0.93 4.52 0.75 5.04 -4.23 -1.26 -5.06 115.64 116.33 2x36 s THR 760 Ca -0.11 1.89 -0.08 0.00 -1.18 0.00 0.00 61.69 62.22 2x36 s THR 760 Cb -0.14 -4.24 0.09 0.00 1.34 0.00 0.00 72.50 69.54 2x36 s THR 760 CO 0.00 0.37 1.07 -2.16 -0.54 0.00 0.00 174.62 173.36 2x36 s PRO 761 N -0.25 1.94 0.28 3.99 0.04 -1.26 -4.62 135.00 135.13 2x36 s PRO 761 Ca 0.42 -0.30 -0.30 0.00 0.04 0.00 0.00 61.00 60.87 2x36 s PRO 761 Cb -0.23 -2.12 -0.13 0.00 0.04 0.00 0.00 34.50 32.07 2x36 s PRO 761 CO 0.27 -1.44 1.33 -2.30 0.04 0.00 0.00 177.00 174.91 2x36 n PRO 762 N -3.06 2.01 -0.47 0.56 -0.02 -1.26 -1.94 135.00 130.82 2x36 n PRO 762 Ca 0.09 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2x36 n PRO 762 Cb 0.60 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2x36 n PRO 762 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x36 n GLY 763 N 1.58 0.74 3.03 -1.23 0.00 -1.26 -4.76 105.19 103.29 2x36 n GLY 763 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2x36 n GLY 763 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x36 s VAL 764 N -2.87 1.11 -0.07 1.61 1.01 -0.82 -1.91 120.40 118.46 2x36 s VAL 764 Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 2x36 s VAL 764 Cb 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.39 2x36 s VAL 764 CO 0.00 0.35 0.23 -0.69 0.00 0.00 0.00 175.10 174.98 2x36 s VAL 765 N 0.53 0.01 -0.12 2.92 1.01 -0.30 -4.62 120.40 119.84 2x36 s VAL 765 Ca -0.12 -0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 2x36 s VAL 765 Cb -0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2x36 s VAL 765 CO 0.03 -0.06 0.55 0.00 0.00 0.00 0.00 175.10 175.63 2x36 s MET 766 N -0.13 4.34 0.26 2.72 0.23 -1.26 -0.98 119.30 124.48 2x36 s MET 766 Ca -0.02 0.58 0.06 0.00 -1.03 0.00 0.00 55.69 55.27 2x36 s MET 766 Cb -0.02 -3.46 -0.03 0.00 -1.53 0.00 0.00 34.83 29.79 2x36 s MET 766 CO 0.01 0.07 0.35 0.20 -2.03 0.00 0.00 175.02 173.62 2x36 s GLY 767 N 0.76 1.32 -0.22 3.16 0.00 0.40 -2.77 107.32 109.98 2x36 s GLY 767 Ca 0.29 -1.31 -0.04 0.00 0.00 0.00 0.00 44.72 43.66 2x36 s GLY 767 CO 0.12 -1.32 -0.02 1.08 0.00 0.00 0.00 173.10 172.97 2x36 s LEU 768 N -3.99 3.05 -0.11 0.66 2.01 -1.05 -1.12 118.68 118.13 2x36 s LEU 768 Ca 0.36 -0.32 -0.05 0.00 0.01 0.00 0.00 54.13 54.13 2x36 s LEU 768 Cb -0.09 -1.78 -0.04 0.00 0.01 0.00 0.00 46.19 44.29 2x36 s LEU 768 CO 0.29 0.01 0.08 0.00 1.01 0.00 0.00 176.35 177.73 2x36 s ALA 769 N 1.33 3.61 -0.76 4.21 0.00 0.84 -4.76 121.76 126.24 2x36 s ALA 769 Ca 0.04 -0.71 -0.25 0.00 0.00 0.00 0.00 51.96 51.04 2x36 s ALA 769 Cb -0.14 -1.78 0.05 0.00 0.00 0.00 0.00 23.12 21.24 2x36 s ALA 769 CO -0.01 0.57 1.20 -0.46 0.00 0.00 0.00 175.76 177.07 2x36 s TRP 770 N -0.84 2.45 0.47 0.00 -0.00 -1.26 -1.61 118.94 118.15 2x36 s TRP 770 Ca 0.13 -0.34 -0.09 0.00 -0.00 0.00 0.00 56.10 55.80 2x36 s TRP 770 Cb -0.12 -4.53 -0.05 0.00 -0.00 0.00 0.00 33.47 28.77 2x36 s TRP 770 CO 0.03 -1.92 0.83 0.95 -0.00 0.00 0.00 176.95 176.84 2x36 s THR 771 N 5.06 4.80 0.62 5.86 -4.23 0.25 -2.74 115.64 125.26 2x36 s THR 771 Ca 0.33 0.56 0.34 0.00 -1.18 0.00 0.00 61.69 61.74 2x36 s THR 771 Cb -0.09 -3.80 0.38 0.00 1.34 0.00 0.00 72.50 70.33 2x36 s THR 771 CO 0.10 -0.74 2.21 0.00 -0.54 0.00 0.00 174.62 175.64 2x36 h ALA 772 N 0.65 1.45 -0.24 3.99 0.00 -1.95 -2.50 119.26 120.65 2x36 h ALA 772 Ca -0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2x36 h ALA 772 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2x36 h ALA 772 CO 0.63 -0.13 -0.00 0.00 0.00 0.00 0.00 179.25 179.74 2x36 n MET 773 N -3.52 2.67 0.00 0.00 0.00 -1.26 -5.07 117.12 109.94 2x36 n MET 773 Ca -0.01 -2.84 0.00 0.00 0.00 0.00 0.00 57.70 54.85 2x36 n MET 773 Cb 0.19 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 31.60 2x36 n MET 773 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2x36 n GLY 774 N -0.66 0.58 3.59 3.17 0.00 -0.94 -5.07 105.19 105.86 2x36 n GLY 774 Ca 0.22 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 2x36 n GLY 774 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x36 s GLY 775 N 0.00 1.81 0.00 -0.02 0.00 -1.26 -0.58 107.32 107.27 2x36 s GLY 775 Ca 0.00 -1.23 -0.08 0.00 0.00 0.00 0.00 44.72 43.41 2x36 s GLY 775 CO 0.00 -1.20 0.15 -0.45 0.00 0.00 0.00 173.10 171.60 2x36 s SER 776 N -2.21 0.02 -0.34 1.64 0.15 -0.63 -4.76 113.70 107.56 2x36 s SER 776 Ca 0.22 -0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.53 2x36 s SER 776 Cb -0.11 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.40 2x36 s SER 776 CO 0.14 -0.39 0.26 -0.89 1.20 0.00 0.00 173.24 173.56 2x36 s THR 777 N -1.49 5.27 0.04 6.45 2.01 -1.26 -0.11 115.64 126.54 2x36 s THR 777 Ca -0.14 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.71 2x36 s THR 777 Cb -0.07 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2x36 s THR 777 CO 0.01 -0.03 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.13 2x36 s LEU 778 N 1.77 3.38 -0.35 4.42 1.02 -0.28 -4.94 118.68 123.70 2x36 s LEU 778 Ca 0.07 -0.12 -0.15 0.00 0.02 0.00 0.00 54.13 53.95 2x36 s LEU 778 Cb -0.17 -2.02 -0.01 0.00 0.02 0.00 0.00 46.19 44.01 2x36 s LEU 778 CO 0.11 0.24 0.32 -0.36 0.02 0.00 0.00 176.35 176.68 2x36 s PHE 779 N -1.15 3.22 0.30 0.29 0.08 -1.26 -0.45 117.98 119.00 2x36 s PHE 779 Ca 0.21 -0.15 -0.21 0.00 0.12 0.00 0.00 56.93 56.90 2x36 s PHE 779 Cb -0.11 -2.62 -0.09 0.00 -0.57 0.00 0.00 43.02 39.63 2x36 s PHE 779 CO 0.13 -0.44 0.83 0.08 -0.10 0.00 0.00 175.22 175.72 2x36 s VAL 780 N 1.91 4.44 0.01 -0.44 1.01 -0.15 -4.29 120.40 122.88 2x36 s VAL 780 Ca 0.09 1.45 -0.07 0.00 0.00 0.00 0.00 61.98 63.46 2x36 s VAL 780 Cb -0.17 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2x36 s VAL 780 CO 0.11 0.06 0.13 -1.61 0.00 0.00 0.00 175.10 173.80 2x36 s GLU 781 N -2.31 0.49 0.06 2.72 2.02 -1.07 -1.15 118.70 119.46 2x36 s GLU 781 Ca 0.50 -0.43 -0.03 0.00 0.02 0.00 0.00 54.97 55.03 2x36 s GLU 781 Cb -0.15 0.20 -0.03 0.00 0.10 0.00 0.00 34.13 34.25 2x36 s GLU 781 CO 0.20 -0.12 0.02 0.95 0.02 0.00 0.00 175.26 176.34 2x36 s THR 782 N -1.47 0.20 0.11 3.63 -4.23 -0.80 0.39 115.64 113.46 2x36 s THR 782 Ca -0.14 -1.62 -0.17 0.00 -1.18 0.00 0.00 61.69 58.57 2x36 s THR 782 Cb -0.07 -1.43 0.04 0.00 1.34 0.00 0.00 72.50 72.38 2x36 s THR 782 CO 0.01 -0.90 0.42 -0.55 -0.54 0.00 0.00 174.62 173.06 2x36 s SER 783 N -2.84 -0.27 0.46 3.99 0.15 0.44 -4.79 113.70 110.83 2x36 s SER 783 Ca 0.06 -0.23 -0.22 0.00 0.70 0.00 0.00 55.95 56.25 2x36 s SER 783 Cb 0.07 0.47 -0.08 0.00 -1.71 0.00 0.00 66.02 64.77 2x36 s SER 783 CO -0.10 -0.83 1.13 -0.76 1.20 0.00 0.00 173.24 173.88 2x36 s LEU 784 N -2.65 3.99 0.00 3.45 1.43 -1.26 -1.06 118.68 122.58 2x36 s LEU 784 Ca 0.01 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 2x36 s LEU 784 Cb 0.01 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.93 2x36 s LEU 784 CO -0.10 -0.86 0.57 -2.11 0.23 0.00 0.00 176.35 174.07 2x36 n ARG 785 N -0.55 0.78 -3.71 1.70 1.85 -0.99 -4.80 116.66 110.94 2x36 n ARG 785 Ca 0.08 -0.72 -0.14 0.00 -1.00 0.00 0.00 57.85 56.07 2x36 n ARG 785 Cb 0.49 -0.73 -0.09 0.00 -1.05 0.00 0.00 32.46 31.09 2x36 n ARG 785 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2x36 s ARG 786 N -0.31 0.64 0.42 2.89 0.52 -1.24 -5.04 118.95 116.84 2x36 s ARG 786 Ca 0.00 0.27 0.23 0.00 -0.52 0.00 0.00 55.73 55.71 2x36 s ARG 786 Cb 0.00 0.30 0.41 0.00 0.52 0.00 0.00 34.95 36.18 2x36 s ARG 786 CO 0.00 -0.14 1.63 -1.00 0.02 0.00 0.00 175.30 175.80 2x36 h PRO 787 N 4.54 0.00 -1.73 3.54 0.13 -1.97 -3.40 132.00 133.11 2x36 h PRO 787 Ca -0.28 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.93 2x36 h PRO 787 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 2x36 h PRO 787 CO 0.31 0.10 0.52 -1.14 -0.23 0.00 0.00 178.00 177.56 2x36 s GLN 788 N -3.23 0.66 0.00 0.86 2.00 -1.26 -4.99 119.66 113.71 2x36 s GLN 788 Ca 0.06 0.06 0.00 0.00 -2.00 0.00 0.00 55.36 53.48 2x36 s GLN 788 Cb 0.06 0.31 0.00 0.00 0.80 0.00 0.00 33.01 34.18 2x36 s GLN 788 CO 0.67 -0.23 0.00 1.63 -0.50 0.00 0.00 175.29 176.86 2x36 n LYS 796 N 0.54 -2.99 -4.69 1.67 4.01 -1.26 -4.94 118.16 110.49 2x36 n LYS 796 Ca -0.10 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.46 2x36 n LYS 796 Cb 0.59 0.00 -0.15 0.00 -0.51 0.00 0.00 35.03 34.96 2x36 n LYS 796 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2x36 s ASP 797 N 0.00 2.02 0.50 4.39 -0.00 -1.26 -4.91 116.67 117.41 2x36 s ASP 797 Ca 0.00 -0.37 0.07 0.00 -0.00 0.00 0.00 52.55 52.25 2x36 s ASP 797 Cb 0.00 -0.20 0.02 0.00 -0.00 0.00 0.00 42.92 42.75 2x36 s ASP 797 CO 0.00 0.17 0.47 -0.83 -0.00 0.00 0.00 175.17 174.98 2x36 s GLY 798 N -0.67 2.16 0.13 0.21 0.00 0.08 -4.48 107.32 104.74 2x36 s GLY 798 Ca 0.06 -1.67 -0.17 0.00 0.00 0.00 0.00 44.72 42.94 2x36 s GLY 798 CO 0.00 -1.80 0.42 -1.35 0.00 0.00 0.00 173.10 170.38 2x36 s SER 799 N -4.30 -0.27 -0.06 1.64 1.04 -0.74 -4.91 113.70 106.10 2x36 s SER 799 Ca 0.45 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2x36 s SER 799 Cb -0.03 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.60 2x36 s SER 799 CO 0.27 -0.86 -0.04 -0.22 0.98 0.00 0.00 173.24 173.37 2x36 s LEU 800 N -2.77 1.12 -0.16 2.42 2.96 -1.26 -0.67 118.68 120.32 2x36 s LEU 800 Ca 0.02 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 2x36 s LEU 800 Cb 0.01 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 2x36 s LEU 800 CO -0.12 -0.10 0.02 -0.70 -1.32 0.00 0.00 176.35 174.14 2x36 s GLU 801 N 1.28 3.79 -0.15 1.98 2.12 0.13 -4.98 118.70 122.87 2x36 s GLU 801 Ca -0.05 -0.40 0.02 0.00 0.36 0.00 0.00 54.97 54.89 2x36 s GLU 801 Cb -0.14 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.19 2x36 s GLU 801 CO -0.02 0.31 -0.20 0.08 -0.54 0.00 0.00 175.26 174.89 2x36 s VAL 802 N 0.23 1.96 0.43 3.70 1.01 -1.26 0.90 120.40 127.37 2x36 s VAL 802 Ca 0.02 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.17 2x36 s VAL 802 Cb -0.13 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 2x36 s VAL 802 CO 0.01 0.53 0.39 0.42 0.00 0.00 0.00 175.10 176.45 2x36 s THR 803 N 1.06 2.58 0.00 3.92 -4.23 -0.89 -4.88 115.64 113.20 2x36 s THR 803 Ca -0.02 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2x36 s THR 803 Cb -0.14 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2x36 s THR 803 CO -0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 2x36 n GLY 804 N -1.58 0.41 3.47 3.99 0.00 -1.26 -2.56 105.19 107.66 2x36 n GLY 804 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 2x36 n GLY 804 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2x36 n GLN 805 N 0.00 -7.35 -2.75 1.61 -0.06 -1.26 -4.66 117.38 102.91 2x36 n GLN 805 Ca 0.00 0.80 -0.32 0.00 -2.00 0.00 0.00 57.00 55.48 2x36 n GLN 805 Cb 0.00 -5.76 -0.05 0.00 -4.06 0.00 0.00 30.24 20.37 2x36 n GLN 805 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2x36 s LEU 806 N -6.84 3.85 0.00 1.69 1.43 -1.26 -5.09 118.68 112.46 2x36 s LEU 806 Ca 0.41 1.51 -0.06 0.00 -1.03 0.00 0.00 54.13 54.96 2x36 s LEU 806 Cb -0.18 -4.38 0.10 0.00 0.03 0.00 0.00 46.19 41.75 2x36 s LEU 806 CO 0.70 -0.41 0.59 0.61 0.23 0.00 0.00 176.35 178.07 2x36 n GLY 807 N -0.97 -0.80 0.30 -3.19 0.00 -1.26 -4.81 105.19 94.45 2x36 n GLY 807 Ca 0.06 -1.77 0.02 0.00 0.00 0.00 0.00 46.02 44.33 2x36 n GLY 807 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2x36 h GLU 808 N 0.00 0.56 -0.17 1.61 4.57 -1.98 0.75 114.58 119.92 2x36 h GLU 808 Ca -0.19 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 57.89 2x36 h GLU 808 Cb 0.56 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 2x36 h GLU 808 CO 0.15 0.45 -0.01 0.28 -1.18 0.00 0.00 179.01 178.70 2x36 h VAL 809 N 0.57 1.26 0.00 0.32 2.07 -1.99 -2.63 116.25 115.85 2x36 h VAL 809 Ca 0.14 -0.89 -0.11 0.00 0.82 0.00 0.00 66.70 66.67 2x36 h VAL 809 Cb 0.09 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2x36 h VAL 809 CO -0.02 0.27 -0.51 0.24 0.02 0.00 0.00 177.57 177.57 2x36 h MET 810 N 0.04 0.00 -0.92 1.57 2.86 -1.64 -2.63 114.93 114.22 2x36 h MET 810 Ca 0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2x36 h MET 810 Cb 0.41 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 2x36 h MET 810 CO 0.01 0.51 0.54 0.87 1.06 0.00 0.00 176.91 179.90 2x36 h LYS 811 N 0.00 1.25 -0.17 1.72 1.57 -0.85 -1.17 116.57 118.93 2x36 h LYS 811 Ca -0.01 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 2x36 h LYS 811 Cb 0.96 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2x36 h LYS 811 CO 0.07 0.88 -0.44 1.49 -0.57 0.00 0.00 179.45 180.88 2x36 h GLU 812 N 1.27 0.60 -0.35 3.15 4.57 -1.31 -2.59 114.58 119.91 2x36 h GLU 812 Ca 0.33 -0.42 0.08 0.00 -1.18 0.00 0.00 59.36 58.17 2x36 h GLU 812 Cb -0.04 0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 28.54 2x36 h GLU 812 CO -0.06 1.04 -0.21 1.03 -1.18 0.00 0.00 179.01 179.63 2x36 h SER 813 N 0.25 -0.69 -0.94 1.04 0.87 -1.09 0.60 113.55 113.60 2x36 h SER 813 Ca -0.01 0.15 0.17 0.00 -1.23 0.00 0.00 61.79 60.87 2x36 h SER 813 Cb 1.06 0.36 -0.10 0.00 -0.44 0.00 0.00 62.40 63.27 2x36 h SER 813 CO 0.10 -0.24 0.53 0.00 -0.53 0.00 0.00 176.83 176.69 2x36 h ALA 814 N 1.05 1.50 -0.40 6.23 0.00 -1.21 -0.99 119.26 125.44 2x36 h ALA 814 Ca 0.18 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2x36 h ALA 814 Cb 0.43 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2x36 h ALA 814 CO -0.44 -0.07 0.25 0.00 0.00 0.00 0.00 179.25 178.99 2x36 h ARG 815 N 0.70 0.50 -0.49 0.00 3.08 0.39 0.22 114.38 118.78 2x36 h ARG 815 Ca 0.53 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.57 2x36 h ARG 815 Cb 0.80 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 2x36 h ARG 815 CO -0.38 0.33 0.30 0.82 -1.07 0.00 0.00 179.97 179.98 2x36 h ILE 816 N 0.52 1.07 -0.69 2.04 2.04 0.81 0.54 117.51 123.84 2x36 h ILE 816 Ca 0.15 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 2x36 h ILE 816 Cb -0.04 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 2x36 h ILE 816 CO -0.04 0.11 0.20 0.00 0.00 0.00 0.00 178.15 178.42 2x36 h ALA 817 N 1.21 1.07 -0.37 1.87 0.00 -0.86 -0.98 119.26 121.19 2x36 h ALA 817 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2x36 h ALA 817 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2x36 h ALA 817 CO -0.08 0.63 0.15 -0.92 0.00 0.00 0.00 179.25 179.04 2x36 h TYR 818 N 1.02 0.57 -0.41 0.00 -0.00 0.59 -0.88 116.97 117.86 2x36 h TYR 818 Ca 0.22 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.73 58.85 2x36 h TYR 818 Cb 0.30 -0.17 -0.02 0.00 -0.00 0.00 0.00 36.73 36.84 2x36 h TYR 818 CO 0.02 0.51 0.04 1.15 -0.00 0.00 0.00 178.16 179.88 2x36 h THR 819 N 0.46 1.25 -0.20 1.81 2.02 -0.83 -2.59 112.91 114.83 2x36 h THR 819 Ca 0.12 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 2x36 h THR 819 Cb 0.18 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2x36 h THR 819 CO -0.01 0.32 0.05 0.15 0.37 0.00 0.00 175.52 176.40 2x36 h PHE 820 N 0.53 0.33 -0.39 3.16 3.04 -1.05 -2.46 116.94 120.11 2x36 h PHE 820 Ca 0.12 -0.04 0.08 0.00 3.98 0.00 0.00 57.97 62.11 2x36 h PHE 820 Cb 0.42 -0.09 -0.08 0.00 2.56 0.00 0.00 35.95 38.76 2x36 h PHE 820 CO 0.03 0.43 -0.12 0.00 -2.02 0.00 0.00 178.31 176.63 2x36 h ALA 821 N 0.86 0.22 -0.52 2.41 0.00 -1.15 0.26 119.26 121.33 2x36 h ALA 821 Ca 0.06 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2x36 h ALA 821 Cb 0.27 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 2x36 h ALA 821 CO 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 179.25 178.35 2x36 h ARG 822 N -0.04 -0.24 -0.02 0.00 3.08 -1.44 -1.12 114.38 114.61 2x36 h ARG 822 Ca 0.19 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 2x36 h ARG 822 Cb 0.32 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2x36 h ARG 822 CO -0.42 -0.16 -0.32 0.00 -1.07 0.00 0.00 179.97 177.99 2x36 h ALA 823 N 0.59 1.43 0.17 0.04 0.00 -0.85 -2.46 119.26 118.19 2x36 h ALA 823 Ca 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2x36 h ALA 823 Cb 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2x36 h ALA 823 CO -0.65 0.42 -0.08 0.35 0.00 0.00 0.00 179.25 179.29 2x36 h PHE 824 N 0.03 -0.21 -0.31 0.00 3.04 -0.31 -3.19 116.94 115.99 2x36 h PHE 824 Ca 0.00 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.01 2x36 h PHE 824 Cb 0.59 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 2x36 h PHE 824 CO 0.00 0.22 0.22 1.25 -2.02 0.00 0.00 178.31 177.98 2x36 h LEU 825 N -0.82 0.13 -1.07 0.59 5.85 -1.16 -0.39 115.31 118.43 2x36 h LEU 825 Ca -0.02 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 2x36 h LEU 825 Cb 0.52 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2x36 h LEU 825 CO 0.04 0.08 -0.42 -0.03 -0.34 0.00 0.00 178.44 177.78 2x36 h MET 826 N 0.15 0.00 0.06 1.25 4.05 -1.42 0.48 114.93 119.50 2x36 h MET 826 Ca 0.14 0.00 -0.38 0.00 -0.28 0.00 0.00 59.70 59.18 2x36 h MET 826 Cb 0.38 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.14 2x36 h MET 826 CO -0.02 0.42 -2.23 0.94 0.23 0.00 0.00 176.91 176.24 2x36 n GLN 827 N -3.78 0.71 -0.12 0.39 7.27 -0.89 -3.25 117.38 117.71 2x36 n GLN 827 Ca -0.01 0.21 -0.08 0.00 0.07 0.00 0.00 57.00 57.19 2x36 n GLN 827 Cb 0.48 -1.62 0.08 0.00 2.41 0.00 0.00 30.24 31.60 2x36 n GLN 827 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2x36 h HIS 828 N 0.04 0.94 -2.17 3.69 2.76 -1.03 -3.39 115.15 115.99 2x36 h HIS 828 Ca -0.50 -0.20 -0.53 0.00 -2.20 0.00 0.00 60.37 56.95 2x36 h HIS 828 Cb 1.97 -0.23 -0.35 0.00 1.55 0.00 0.00 27.41 30.35 2x36 h HIS 828 CO 0.05 0.94 -0.90 0.00 -1.30 0.00 0.00 177.93 176.72 2x36 s ALA 829 N -4.73 0.87 0.53 5.26 0.00 0.17 -4.98 121.76 118.87 2x36 s ALA 829 Ca -0.10 -2.13 0.20 0.00 0.00 0.00 0.00 51.96 49.94 2x36 s ALA 829 Cb 0.13 -1.75 1.35 0.00 0.00 0.00 0.00 23.12 22.85 2x36 s ALA 829 CO 0.84 -2.01 2.10 -1.35 0.00 0.00 0.00 175.76 175.33 2x36 h PRO 830 N 5.61 0.00 -0.10 0.00 0.11 -1.64 0.12 132.00 136.10 2x36 h PRO 830 Ca 0.23 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 2x36 h PRO 830 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2x36 h PRO 830 CO 0.31 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 177.78 2x36 h ALA 831 N 1.90 1.26 -1.92 -0.75 0.00 -1.88 -3.44 119.26 114.42 2x36 h ALA 831 Ca 0.09 -0.34 -0.61 0.00 0.00 0.00 0.00 54.91 54.04 2x36 h ALA 831 Cb 0.37 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 17.96 2x36 h ALA 831 CO -0.00 0.51 0.50 1.21 0.00 0.00 0.00 179.25 181.46 2x36 s ASN 832 N -6.89 6.41 0.00 0.00 3.84 0.41 -4.91 114.94 113.81 2x36 s ASN 832 Ca -0.04 -0.14 0.21 0.00 0.21 0.00 0.00 52.86 53.10 2x36 s ASN 832 Cb 0.14 -2.42 0.67 0.00 -0.55 0.00 0.00 41.25 39.09 2x36 s ASN 832 CO 0.75 -1.07 1.51 -0.90 -2.79 0.00 0.00 177.10 174.60 2x36 n ASP 833 N 7.12 2.07 -0.29 -4.21 5.75 -1.26 -4.62 116.55 121.10 2x36 n ASP 833 Ca 0.03 -1.77 -0.02 0.00 -0.01 0.00 0.00 54.79 53.02 2x36 n ASP 833 Cb 0.48 -0.13 0.10 0.00 -1.03 0.00 0.00 41.12 40.54 2x36 n ASP 833 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2x36 h TYR 834 N 2.75 0.96 -0.23 2.11 3.20 -1.90 -2.37 116.97 121.49 2x36 h TYR 834 Ca 0.00 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 2x36 h TYR 834 Cb 0.60 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 2x36 h TYR 834 CO 0.13 0.55 -0.59 -0.07 -1.64 0.00 0.00 178.16 176.54 2x36 h LEU 835 N 0.99 0.83 -1.18 2.82 3.38 -1.91 -2.63 115.31 117.62 2x36 h LEU 835 Ca 0.32 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2x36 h LEU 835 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2x36 h LEU 835 CO -0.12 1.23 -0.11 0.58 0.09 0.00 0.00 178.44 180.12 2x36 h VAL 836 N 0.55 1.22 0.00 1.22 2.07 -1.80 -3.37 116.25 116.13 2x36 h VAL 836 Ca 0.00 -0.94 -0.25 0.00 0.82 0.00 0.00 66.70 66.33 2x36 h VAL 836 Cb 1.18 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 2x36 h VAL 836 CO 0.12 0.31 -1.96 0.35 0.02 0.00 0.00 177.57 176.41 2x36 n THR 837 N -4.23 0.97 -2.81 2.57 -2.24 -0.93 -0.74 114.28 106.87 2x36 n THR 837 Ca 0.00 -0.45 -0.33 0.00 -2.27 0.00 0.00 64.05 61.00 2x36 n THR 837 Cb 0.30 -0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 67.53 2x36 n THR 837 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2x36 s SER 838 N -5.28 6.95 -0.38 3.42 0.01 -0.99 -2.12 113.70 115.31 2x36 s SER 838 Ca -0.17 1.71 -0.15 0.00 1.31 0.00 0.00 55.95 58.66 2x36 s SER 838 Cb 0.05 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2x36 s SER 838 CO 0.46 -0.35 0.31 -1.00 0.41 0.00 0.00 173.24 173.07 2x36 s HIS 839 N -2.12 3.22 0.24 2.43 3.76 -1.26 -1.79 115.29 119.78 2x36 s HIS 839 Ca 0.61 -0.36 0.11 0.00 -0.15 0.00 0.00 55.06 55.27 2x36 s HIS 839 Cb -0.10 -2.62 -0.05 0.00 1.11 0.00 0.00 32.58 30.92 2x36 s HIS 839 CO 0.14 -0.52 -0.20 0.42 -0.85 0.00 0.00 174.74 173.74 2x36 s ILE 840 N 1.82 2.30 -0.09 0.60 1.01 0.16 -2.34 121.20 124.65 2x36 s ILE 840 Ca 0.07 -2.27 0.03 0.00 0.00 0.00 0.00 60.65 58.48 2x36 s ILE 840 Cb -0.18 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.10 2x36 s ILE 840 CO 0.11 -0.36 -0.19 -2.28 0.00 0.00 0.00 174.94 172.22 2x36 s HIS 841 N -2.37 2.14 -0.09 3.97 5.65 -0.22 0.17 115.29 124.53 2x36 s HIS 841 Ca 0.26 -0.88 0.01 0.00 0.25 0.00 0.00 55.06 54.70 2x36 s HIS 841 Cb -0.05 -1.47 -0.02 0.00 -1.18 0.00 0.00 32.58 29.85 2x36 s HIS 841 CO 0.12 -0.39 -0.11 -1.17 -0.65 0.00 0.00 174.74 172.54 2x36 s LEU 842 N 0.54 2.87 -0.15 8.88 2.96 0.26 -0.42 118.68 133.62 2x36 s LEU 842 Ca -0.16 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 2x36 s LEU 842 Cb -0.17 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 2x36 s LEU 842 CO 0.06 0.27 -0.12 -2.28 -1.32 0.00 0.00 176.35 172.96 2x36 s HIS 843 N -0.29 2.84 -0.39 5.38 5.65 0.16 -2.09 115.29 126.55 2x36 s HIS 843 Ca 0.03 -0.74 -0.05 0.00 0.25 0.00 0.00 55.06 54.55 2x36 s HIS 843 Cb -0.13 -1.89 0.09 0.00 -1.18 0.00 0.00 32.58 29.47 2x36 s HIS 843 CO 0.03 -0.30 0.17 0.08 -0.65 0.00 0.00 174.74 174.07 2x36 s VAL 844 N 0.59 3.50 0.68 0.89 1.01 -1.06 -2.60 120.40 123.42 2x36 s VAL 844 Ca -0.07 -1.70 -0.17 0.00 0.00 0.00 0.00 61.98 60.04 2x36 s VAL 844 Cb -0.15 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.00 2x36 s VAL 844 CO 0.03 -0.50 1.22 -2.65 0.00 0.00 0.00 175.10 173.20 2x36 n PRO 845 N 4.70 0.86 -2.11 2.72 -0.02 -1.26 -4.38 135.00 135.51 2x36 n PRO 845 Ca -0.07 0.35 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 2x36 n PRO 845 Cb 0.42 -2.46 -0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2x36 n PRO 845 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2x36 s GLU 846 N -3.47 3.58 0.00 -0.52 2.02 -1.26 -4.69 118.70 114.36 2x36 s GLU 846 Ca 0.80 1.00 0.00 0.00 0.02 0.00 0.00 54.97 56.79 2x36 s GLU 846 Cb -0.36 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 31.79 2x36 s GLU 846 CO 0.43 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.54 2x36 n GLY 847 N -1.61 3.19 3.75 -1.39 0.00 -1.26 -5.08 105.19 102.79 2x36 n GLY 847 Ca 0.07 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2x36 n GLY 847 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x36 s ALA 848 N 0.00 3.36 1.00 4.61 0.00 -1.26 -4.14 121.76 125.32 2x36 s ALA 848 Ca 0.00 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 52.60 2x36 s ALA 848 Cb 0.00 -3.31 0.10 0.00 0.00 0.00 0.00 23.12 19.91 2x36 s ALA 848 CO 0.00 -0.09 0.54 0.25 0.00 0.00 0.00 175.76 176.46 2x36 n THR 849 N 1.89 0.00 0.14 0.00 -2.24 -1.11 -4.74 114.28 108.22 2x36 n THR 849 Ca 0.01 -0.19 0.10 0.00 -2.27 0.00 0.00 64.05 61.69 2x36 n THR 849 Cb 0.46 -0.73 0.51 0.00 -2.10 0.00 0.00 70.33 68.47 2x36 n THR 849 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2x36 n PRO 850 N -2.61 0.12 -0.05 -0.78 -0.02 -1.26 -1.53 135.00 128.87 2x36 n PRO 850 Ca 0.06 0.62 -0.10 0.00 -2.02 0.00 0.00 63.50 62.07 2x36 n PRO 850 Cb 0.55 -1.90 -0.15 0.00 -0.02 0.00 0.00 33.50 31.98 2x36 n PRO 850 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2x36 n LYS 851 N -2.16 0.66 0.02 -0.52 2.85 -1.26 -3.80 118.16 113.94 2x36 n LYS 851 Ca -0.01 0.20 0.13 0.00 -1.05 0.00 0.00 58.31 57.58 2x36 n LYS 851 Cb 0.03 -1.70 0.46 0.00 -0.65 0.00 0.00 35.03 33.17 2x36 n LYS 851 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2x36 n ASP 852 N -2.98 0.31 -0.20 -5.58 2.03 -0.58 -4.43 116.55 105.13 2x36 n ASP 852 Ca -0.23 0.30 -0.07 0.00 0.52 0.00 0.00 54.79 55.32 2x36 n ASP 852 Cb 1.08 -0.31 -0.06 0.00 -0.72 0.00 0.00 41.12 41.11 2x36 n ASP 852 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2x36 h GLY 853 N 4.88 -1.60 1.48 0.27 0.00 -1.39 -1.78 103.07 104.92 2x36 h GLY 853 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 47.33 48.26 2x36 h GLY 853 CO 0.00 -0.41 0.24 -2.55 0.00 0.00 0.00 176.54 173.81 2x36 h PRO 854 N -0.06 0.00 0.00 4.80 0.11 -1.83 -2.63 132.00 132.38 2x36 h PRO 854 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2x36 h PRO 854 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 2x36 h PRO 854 CO -0.48 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.18 2x36 n SER 855 N -3.21 0.24 0.00 -2.05 3.41 -0.67 -2.04 113.62 109.30 2x36 n SER 855 Ca -0.01 0.56 0.08 0.00 -0.26 0.00 0.00 58.87 59.25 2x36 n SER 855 Cb 0.32 -0.61 0.40 0.00 -0.26 0.00 0.00 64.21 64.06 2x36 n SER 855 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x36 n ALA 856 N -1.60 1.88 0.11 7.33 0.00 -0.99 0.49 120.51 127.74 2x36 n ALA 856 Ca 0.03 -0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 2x36 n ALA 856 Cb 0.17 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.28 2x36 n ALA 856 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2x36 h GLY 857 N 2.68 -0.23 0.32 0.00 0.00 -1.36 -1.04 103.07 103.45 2x36 h GLY 857 Ca 0.00 0.09 0.13 0.00 0.00 0.00 0.00 47.33 47.54 2x36 h GLY 857 CO 0.00 -0.08 0.42 0.00 0.00 0.00 0.00 176.54 176.87 2x36 h THR 859 N 0.64 1.22 -0.10 0.00 2.02 -1.69 -1.63 112.91 113.36 2x36 h THR 859 Ca 0.43 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2x36 h THR 859 Cb 0.54 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2x36 h THR 859 CO -0.33 0.25 0.04 0.40 0.37 0.00 0.00 175.52 176.26 2x36 h ILE 860 N 0.98 1.15 -0.24 3.11 2.04 -0.55 -1.42 117.51 122.58 2x36 h ILE 860 Ca 0.25 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.72 2x36 h ILE 860 Cb 0.07 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 2x36 h ILE 860 CO -0.04 0.13 -0.31 0.58 0.00 0.00 0.00 178.15 178.51 2x36 h VAL 861 N 0.00 0.28 -0.26 1.67 2.07 -1.42 -1.30 116.25 117.30 2x36 h VAL 861 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2x36 h VAL 861 Cb 0.17 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2x36 h VAL 861 CO -0.00 0.00 0.10 0.74 0.02 0.00 0.00 177.57 178.43 2x36 h THR 862 N -0.32 0.95 -0.66 2.57 2.02 -1.21 0.27 112.91 116.52 2x36 h THR 862 Ca 0.13 -0.08 0.13 0.00 0.77 0.00 0.00 66.41 67.36 2x36 h THR 862 Cb 0.53 0.70 -0.13 0.00 -1.74 0.00 0.00 68.15 67.52 2x36 h THR 862 CO -0.42 0.04 -0.21 0.00 0.37 0.00 0.00 175.52 175.29 2x36 h ALA 863 N 1.15 0.33 -0.47 6.16 0.00 -1.15 0.13 119.26 125.42 2x36 h ALA 863 Ca 0.11 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 2x36 h ALA 863 Cb 0.07 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2x36 h ALA 863 CO -0.10 -0.48 0.07 -0.07 0.00 0.00 0.00 179.25 178.66 2x36 h LEU 864 N -0.04 0.75 -0.41 0.00 3.38 -0.48 -2.16 115.31 116.34 2x36 h LEU 864 Ca 0.31 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2x36 h LEU 864 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2x36 h LEU 864 CO -0.70 0.83 -0.12 -0.07 0.09 0.00 0.00 178.44 178.47 2x36 h LEU 865 N 0.65 0.81 -0.71 1.67 3.38 -0.39 -1.66 115.31 119.06 2x36 h LEU 865 Ca 0.14 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2x36 h LEU 865 Cb 0.40 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2x36 h LEU 865 CO 0.01 1.00 0.26 -1.28 0.09 0.00 0.00 178.44 178.52 2x36 h SER 866 N 0.62 1.01 -0.62 -0.43 0.87 -0.67 -0.22 113.55 114.11 2x36 h SER 866 Ca 0.10 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 2x36 h SER 866 Cb 0.65 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 2x36 h SER 866 CO 0.04 0.93 0.28 0.25 -0.53 0.00 0.00 176.83 177.80 2x36 h LEU 867 N 1.03 0.83 -1.21 2.23 5.85 -1.32 0.12 115.31 122.85 2x36 h LEU 867 Ca 0.23 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2x36 h LEU 867 Cb 0.25 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2x36 h LEU 867 CO -0.01 0.75 -0.21 0.00 -0.34 0.00 0.00 178.44 178.63 2x36 h ALA 868 N 1.12 1.05 -0.05 1.25 0.00 -0.78 -2.79 119.26 119.06 2x36 h ALA 868 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2x36 h ALA 868 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2x36 h ALA 868 CO -0.02 0.26 0.00 -1.33 0.00 0.00 0.00 179.25 178.16 2x36 n MET 869 N -3.41 2.28 -3.61 0.00 2.81 -0.14 -4.86 117.12 110.19 2x36 n MET 869 Ca -0.00 -1.86 -0.23 0.00 -1.81 0.00 0.00 57.70 53.80 2x36 n MET 869 Cb 0.41 -1.46 0.07 0.00 -0.71 0.00 0.00 33.22 31.52 2x36 n MET 869 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2x36 n GLY 870 N 1.34 -0.47 2.76 3.03 0.00 -0.62 -4.95 105.19 106.28 2x36 n GLY 870 Ca 0.15 0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 2x36 n GLY 870 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x36 s ARG 871 N -6.08 -0.02 0.55 1.61 1.81 0.32 -4.93 118.95 112.20 2x36 s ARG 871 Ca 0.39 0.35 -0.11 0.00 -1.72 0.00 0.00 55.73 54.64 2x36 s ARG 871 Cb -0.18 -0.34 -0.05 0.00 -0.45 0.00 0.00 34.95 33.93 2x36 s ARG 871 CO 0.75 -0.25 0.95 -1.25 -0.68 0.00 0.00 175.30 174.82 2x36 s PRO 872 N 1.72 3.69 0.64 3.54 0.04 -1.26 -4.44 135.00 138.93 2x36 s PRO 872 Ca -0.02 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 61.58 2x36 s PRO 872 Cb -0.12 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 2x36 s PRO 872 CO -0.04 -0.39 1.04 0.08 0.04 0.00 0.00 177.00 177.73 2x36 s VAL 873 N -2.90 4.29 0.44 -0.36 1.01 -1.26 -4.92 120.40 116.70 2x36 s VAL 873 Ca 0.54 0.82 -0.24 0.00 0.00 0.00 0.00 61.98 63.10 2x36 s VAL 873 Cb -0.11 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 2x36 s VAL 873 CO 0.45 -0.90 1.10 -1.14 0.00 0.00 0.00 175.10 174.61 2x36 n ARG 874 N -2.70 1.51 -2.55 2.72 0.63 -0.69 -4.84 116.66 110.74 2x36 n ARG 874 Ca 0.07 0.54 -0.36 0.00 -0.92 0.00 0.00 57.85 57.19 2x36 n ARG 874 Cb 0.54 -2.17 -0.04 0.00 0.45 0.00 0.00 32.46 31.23 2x36 n ARG 874 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2x36 s GLN 875 N -2.15 4.05 -1.21 -0.14 -1.52 -1.26 -3.40 119.66 114.02 2x36 s GLN 875 Ca 0.64 1.45 0.00 0.00 -1.95 0.00 0.00 55.36 55.49 2x36 s GLN 875 Cb -0.53 -2.38 0.00 0.00 -0.22 0.00 0.00 33.01 29.88 2x36 s GLN 875 CO 0.56 -0.23 0.00 0.09 -0.25 0.00 0.00 175.29 175.46 2x36 n ASN 876 N -0.39 -5.42 -4.75 5.90 3.02 -1.26 -4.91 115.26 107.45 2x36 n ASN 876 Ca 0.06 0.28 -0.38 0.00 -0.03 0.00 0.00 54.58 54.51 2x36 n ASN 876 Cb 0.51 -3.92 -0.06 0.00 -0.61 0.00 0.00 39.78 35.70 2x36 n ASN 876 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2x36 s LEU 877 N -2.59 4.37 0.10 3.41 2.96 -1.22 -2.91 118.68 122.81 2x36 s LEU 877 Ca 0.00 1.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.94 2x36 s LEU 877 Cb 0.00 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 2x36 s LEU 877 CO 0.00 0.08 -0.07 0.00 -1.32 0.00 0.00 176.35 175.04 2x36 s ALA 878 N 0.05 1.05 0.14 5.97 0.00 -0.80 -4.31 121.76 123.87 2x36 s ALA 878 Ca 0.29 -1.35 -0.20 0.00 0.00 0.00 0.00 51.96 50.69 2x36 s ALA 878 Cb -0.17 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.14 2x36 s ALA 878 CO 0.14 -0.20 0.52 0.00 0.00 0.00 0.00 175.76 176.22 2x36 s MET 879 N -3.73 1.19 0.01 0.00 0.23 -1.11 -1.96 119.30 113.92 2x36 s MET 879 Ca 0.12 -0.54 -0.10 0.00 -1.03 0.00 0.00 55.69 54.14 2x36 s MET 879 Cb 0.04 0.54 0.01 0.00 -1.53 0.00 0.00 34.83 33.89 2x36 s MET 879 CO -0.04 -0.50 0.20 -0.08 -2.03 0.00 0.00 175.02 172.58 2x36 s THR 880 N -3.69 0.08 0.00 3.16 -1.32 -1.17 -2.54 115.64 110.17 2x36 s THR 880 Ca 0.01 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 2x36 s THR 880 Cb 0.00 -0.60 0.00 0.00 -1.51 0.00 0.00 72.50 70.39 2x36 s THR 880 CO -0.12 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.53 2x36 n GLY 881 N 1.21 3.35 3.77 6.08 0.00 0.18 -4.32 105.19 115.46 2x36 n GLY 881 Ca -0.21 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 2x36 n GLY 881 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x36 s GLU 882 N -1.70 3.46 -0.09 1.61 2.12 -1.21 -0.84 118.70 122.05 2x36 s GLU 882 Ca 0.00 1.71 0.01 0.00 0.36 0.00 0.00 54.97 57.05 2x36 s GLU 882 Cb 0.00 -2.15 0.02 0.00 0.26 0.00 0.00 34.13 32.26 2x36 s GLU 882 CO 0.00 -0.78 -0.12 0.08 -0.54 0.00 0.00 175.26 173.90 2x36 s VAL 883 N -1.66 1.21 0.91 3.70 1.01 -1.26 -1.95 120.40 122.36 2x36 s VAL 883 Ca 0.70 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 2x36 s VAL 883 Cb -0.27 -1.14 0.14 0.00 0.00 0.00 0.00 36.38 35.12 2x36 s VAL 883 CO 0.31 0.38 1.11 -0.94 0.00 0.00 0.00 175.10 175.96 2x36 s SER 884 N 1.03 3.44 0.33 3.32 1.04 -0.22 -4.84 113.70 117.79 2x36 s SER 884 Ca -0.07 1.18 0.26 0.00 0.48 0.00 0.00 55.95 57.80 2x36 s SER 884 Cb -0.15 -1.83 1.03 0.00 0.10 0.00 0.00 66.02 65.18 2x36 s SER 884 CO -0.01 -2.62 1.78 -0.07 0.98 0.00 0.00 173.24 173.30 2x36 h LEU 885 N -1.54 0.00 -0.98 2.42 3.38 -1.90 -1.49 115.31 115.20 2x36 h LEU 885 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2x36 h LEU 885 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2x36 h LEU 885 CO 0.59 0.00 -0.19 0.35 0.09 0.00 0.00 178.44 179.28 2x36 n THR 886 N -2.46 0.00 -0.09 0.22 -2.24 -1.26 -4.84 114.28 103.60 2x36 n THR 886 Ca 0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2x36 n THR 886 Cb 0.28 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2x36 n THR 886 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x36 n GLY 887 N 1.31 0.75 3.73 3.38 0.00 -0.56 -4.89 105.19 108.91 2x36 n GLY 887 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2x36 n GLY 887 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x36 s LYS 888 N -0.91 4.16 -0.30 1.61 2.20 -1.26 0.71 119.74 125.95 2x36 s LYS 888 Ca 0.00 2.52 -0.18 0.00 -0.36 0.00 0.00 55.97 57.95 2x36 s LYS 888 Cb 0.00 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.22 2x36 s LYS 888 CO 0.00 -0.66 0.50 0.42 -0.36 0.00 0.00 175.35 175.25 2x36 s ILE 889 N 0.76 5.06 0.06 5.43 -1.09 -0.14 -1.06 121.20 130.22 2x36 s ILE 889 Ca 0.69 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 2x36 s ILE 889 Cb -0.47 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 2x36 s ILE 889 CO 0.37 -0.04 0.17 -0.76 -1.23 0.00 0.00 174.94 173.45 2x36 s LEU 890 N 2.32 4.22 0.44 2.97 1.02 -0.82 -4.71 118.68 124.11 2x36 s LEU 890 Ca 0.19 0.21 -0.26 0.00 0.02 0.00 0.00 54.13 54.30 2x36 s LEU 890 Cb -0.16 -2.80 -0.09 0.00 0.02 0.00 0.00 46.19 43.17 2x36 s LEU 890 CO 0.11 0.18 1.43 -2.16 0.02 0.00 0.00 176.35 175.93 2x36 s PRO 891 N -2.40 3.74 0.45 1.29 0.04 -1.26 -3.32 135.00 133.53 2x36 s PRO 891 Ca 0.33 2.43 0.04 0.00 0.04 0.00 0.00 61.00 63.84 2x36 s PRO 891 Cb -0.13 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 2x36 s PRO 891 CO 0.25 -0.78 0.02 0.14 0.04 0.00 0.00 177.00 176.67 2x36 s VAL 892 N -1.19 1.51 0.88 -0.36 -7.23 -1.26 -4.86 120.40 107.88 2x36 s VAL 892 Ca 0.60 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.66 2x36 s VAL 892 Cb -0.44 -2.59 0.17 0.00 0.56 0.00 0.00 36.38 34.08 2x36 s VAL 892 CO 0.57 0.00 1.21 -0.83 -0.31 0.00 0.00 175.10 175.74 2x36 s GLY 893 N -3.76 1.76 -1.06 2.32 0.00 -1.26 -4.74 107.32 100.59 2x36 s GLY 893 Ca 0.22 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2x36 s GLY 893 CO 0.11 -0.63 0.00 0.61 0.00 0.00 0.00 173.10 173.19 2x36 n GLY 894 N -3.45 0.46 0.15 0.20 0.00 -1.26 -4.89 105.19 96.40 2x36 n GLY 894 Ca 0.15 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 2x36 n GLY 894 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2x36 h ILE 895 N 0.00 0.73 -0.23 -0.61 1.08 -1.94 0.47 117.51 117.02 2x36 h ILE 895 Ca -0.25 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.24 2x36 h ILE 895 Cb 1.00 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 2x36 h ILE 895 CO 0.32 0.00 -0.14 0.50 -0.69 0.00 0.00 178.15 178.15 2x36 h LYS 896 N -0.18 -0.00 -0.18 2.37 3.64 -1.92 -0.47 116.57 119.83 2x36 h LYS 896 Ca 0.04 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2x36 h LYS 896 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2x36 h LYS 896 CO -0.11 -0.00 -0.01 0.93 -2.27 0.00 0.00 179.45 177.99 2x36 h GLU 897 N -0.00 0.05 -0.20 1.90 3.07 -1.79 -0.13 114.58 117.47 2x36 h GLU 897 Ca 0.04 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2x36 h GLU 897 Cb 0.09 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 2x36 h GLU 897 CO -0.22 0.03 0.12 0.87 -1.40 0.00 0.00 179.01 178.41 2x36 h LYS 898 N 0.05 0.27 0.14 2.33 1.57 0.04 -1.20 116.57 119.77 2x36 h LYS 898 Ca 0.08 -0.02 -0.31 0.00 -1.87 0.00 0.00 60.65 58.54 2x36 h LYS 898 Cb 0.11 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2x36 h LYS 898 CO -0.15 0.19 -1.47 1.15 -0.57 0.00 0.00 179.45 178.60 2x36 h THR 899 N 0.27 1.24 -0.28 -0.16 2.02 0.66 -1.48 112.91 115.19 2x36 h THR 899 Ca 0.07 -2.83 -0.00 0.00 0.77 0.00 0.00 66.41 64.42 2x36 h THR 899 Cb -0.01 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 2x36 h THR 899 CO -0.01 0.84 0.16 0.40 0.37 0.00 0.00 175.52 177.27 2x36 h ILE 900 N 0.08 1.12 -0.81 3.11 2.04 -1.06 -1.44 117.51 120.54 2x36 h ILE 900 Ca -0.22 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2x36 h ILE 900 Cb 2.03 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 2x36 h ILE 900 CO 0.19 0.12 0.38 0.00 0.00 0.00 0.00 178.15 178.84 2x36 h ALA 901 N 1.03 1.13 -0.06 1.87 0.00 -1.14 0.36 119.26 122.44 2x36 h ALA 901 Ca 0.10 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2x36 h ALA 901 Cb 0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 2x36 h ALA 901 CO -0.02 0.65 -0.48 0.00 0.00 0.00 0.00 179.25 179.40 2x36 h ALA 902 N 1.25 -0.77 -0.70 0.00 0.00 -1.22 -2.07 119.26 115.75 2x36 h ALA 902 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2x36 h ALA 902 Cb 0.14 0.87 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2x36 h ALA 902 CO -0.03 -1.02 0.44 -0.22 0.00 0.00 0.00 179.25 178.42 2x36 h LYS 903 N -0.59 0.93 -1.19 0.00 3.64 -0.21 -0.46 116.57 118.69 2x36 h LYS 903 Ca 0.04 -0.07 0.34 0.00 -1.27 0.00 0.00 60.65 59.70 2x36 h LYS 903 Cb 0.68 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.24 2x36 h LYS 903 CO -0.38 0.64 0.85 -0.09 -2.27 0.00 0.00 179.45 178.20 2x36 h ARG 904 N 0.95 0.05 -0.45 1.90 2.43 0.01 -1.19 114.38 118.08 2x36 h ARG 904 Ca 0.25 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2x36 h ARG 904 Cb -0.07 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2x36 h ARG 904 CO -0.05 0.03 0.00 0.00 -1.51 0.00 0.00 179.97 178.44 2x36 n ALA 905 N -2.73 2.31 -2.11 2.80 0.00 -0.52 -4.92 120.51 115.34 2x36 n ALA 905 Ca 0.26 -1.12 -0.06 0.00 0.00 0.00 0.00 53.44 52.53 2x36 n ALA 905 Cb 1.23 -0.67 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 2x36 n ALA 905 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x36 n GLY 906 N 1.08 0.14 3.67 0.00 0.00 -0.45 -5.01 105.19 104.63 2x36 n GLY 906 Ca 0.17 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 2x36 n GLY 906 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x36 s VAL 907 N -2.28 4.69 -0.89 1.61 1.01 -0.30 -4.88 120.40 119.36 2x36 s VAL 907 Ca 0.00 1.99 0.22 0.00 0.00 0.00 0.00 61.98 64.19 2x36 s VAL 907 Cb 0.00 -4.28 -0.20 0.00 0.00 0.00 0.00 36.38 31.89 2x36 s VAL 907 CO 0.00 -0.08 0.94 1.07 0.00 0.00 0.00 175.10 177.03 2x36 n THR 908 N 4.91 0.01 -3.61 3.92 5.66 -1.14 -4.52 114.28 119.51 2x36 n THR 908 Ca 0.10 -0.06 -0.16 0.00 -3.05 0.00 0.00 64.05 60.89 2x36 n THR 908 Cb 0.47 0.76 -0.14 0.00 -1.55 0.00 0.00 70.33 69.88 2x36 n THR 908 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2x36 s ILE 910 N 2.36 2.35 -0.22 0.00 -4.36 0.15 -1.90 121.20 119.58 2x36 s ILE 910 Ca 0.04 -1.54 -0.03 0.00 -0.26 0.00 0.00 60.65 58.85 2x36 s ILE 910 Cb -0.13 -2.00 -0.00 0.00 1.25 0.00 0.00 42.46 41.58 2x36 s ILE 910 CO -0.09 0.21 -0.07 -0.69 0.24 0.00 0.00 174.94 174.54 2x36 s VAL 911 N -0.97 3.11 0.22 8.37 1.01 -0.83 -1.39 120.40 129.93 2x36 s VAL 911 Ca 0.14 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.60 2x36 s VAL 911 Cb -0.10 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2x36 s VAL 911 CO 0.05 0.43 -0.17 -0.76 0.00 0.00 0.00 175.10 174.65 2x36 s LEU 912 N 1.44 2.55 0.38 3.92 1.43 -0.06 -3.02 118.68 125.32 2x36 s LEU 912 Ca 0.05 -0.99 -0.25 0.00 -1.03 0.00 0.00 54.13 51.91 2x36 s LEU 912 Cb -0.14 -0.84 -0.09 0.00 0.03 0.00 0.00 46.19 45.15 2x36 s LEU 912 CO -0.05 -0.08 1.12 -2.84 0.23 0.00 0.00 176.35 174.73 2x36 s PRO 913 N -3.45 4.17 0.42 1.29 0.02 -1.26 -0.83 135.00 135.36 2x36 s PRO 913 Ca 0.24 1.72 0.10 0.00 0.02 0.00 0.00 61.00 63.07 2x36 s PRO 913 Cb -0.03 -2.70 0.90 0.00 0.02 0.00 0.00 34.50 32.70 2x36 s PRO 913 CO 0.09 -0.19 2.00 0.00 -0.33 0.00 0.00 177.00 178.58 2x36 h ALA 914 N 2.74 1.66 0.00 -1.55 0.00 -1.58 0.62 119.26 121.16 2x36 h ALA 914 Ca -0.48 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2x36 h ALA 914 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2x36 h ALA 914 CO 0.63 0.26 0.00 0.39 0.00 0.00 0.00 179.25 180.53 2x36 n GLU 915 N -4.38 0.99 -0.27 0.00 1.02 -1.26 -2.04 120.64 114.69 2x36 n GLU 915 Ca -0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 2x36 n GLU 915 Cb 0.17 -1.21 0.23 0.00 -0.02 0.00 0.00 31.44 30.61 2x36 n GLU 915 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2x36 n ASN 916 N -0.71 3.39 -0.08 1.62 5.03 0.21 -4.56 115.26 120.16 2x36 n ASN 916 Ca 0.10 -2.02 -0.07 0.00 0.87 0.00 0.00 54.58 53.46 2x36 n ASN 916 Cb 0.05 -0.35 -0.01 0.00 -1.02 0.00 0.00 39.78 38.45 2x36 n ASN 916 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2x36 h LYS 917 N 2.96 0.01 0.00 3.52 3.64 -1.50 -1.49 116.57 123.71 2x36 h LYS 917 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2x36 h LYS 917 Cb 0.86 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2x36 h LYS 917 CO 0.01 0.01 0.00 0.87 -2.27 0.00 0.00 179.45 178.07 2x36 h LYS 918 N 0.01 0.00 -0.30 1.90 1.57 -1.83 -2.08 116.57 115.84 2x36 h LYS 918 Ca 0.14 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 2x36 h LYS 918 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2x36 h LYS 918 CO -0.29 0.00 -0.37 -0.44 -0.57 0.00 0.00 179.45 177.78 2x36 h ASP 919 N 0.00 0.72 -0.12 0.86 3.32 -1.61 -2.43 116.42 117.16 2x36 h ASP 919 Ca 0.00 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.66 2x36 h ASP 919 Cb 0.65 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2x36 h ASP 919 CO 0.00 1.01 -0.24 0.15 -1.72 0.00 0.00 179.24 178.44 2x36 h PHE 920 N 0.57 0.48 -0.56 4.55 3.57 -1.07 -3.30 116.94 121.18 2x36 h PHE 920 Ca 0.05 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.31 2x36 h PHE 920 Cb 0.89 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 2x36 h PHE 920 CO 0.04 0.86 0.06 1.88 -2.23 0.00 0.00 178.31 178.92 2x36 h TYR 921 N -0.04 0.95 -0.01 0.41 0.05 -1.42 -3.03 116.97 113.88 2x36 h TYR 921 Ca 0.00 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.67 2x36 h TYR 921 Cb 0.83 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 2x36 h TYR 921 CO 0.10 0.83 0.05 -0.44 -1.05 0.00 0.00 178.16 177.66 2x36 h ASP 922 N 0.85 0.00 -4.11 3.88 5.19 -1.51 -3.44 116.42 117.28 2x36 h ASP 922 Ca 0.17 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 56.07 2x36 h ASP 922 Cb 0.41 0.00 0.09 0.00 0.18 0.00 0.00 39.33 40.01 2x36 h ASP 922 CO 0.01 0.00 0.43 -0.76 -3.12 0.00 0.00 179.24 175.80 2x36 s LEU 923 N -6.54 3.65 0.31 1.55 1.43 -1.15 -4.98 118.68 112.96 2x36 s LEU 923 Ca -0.05 2.20 -0.28 0.00 -1.03 0.00 0.00 54.13 54.97 2x36 s LEU 923 Cb 0.13 -4.58 -0.13 0.00 0.03 0.00 0.00 46.19 41.64 2x36 s LEU 923 CO 0.43 -1.42 1.15 0.00 0.23 0.00 0.00 176.35 176.75 2x36 n ALA 924 N -1.62 0.52 0.01 4.21 0.00 -1.26 -4.87 120.51 117.50 2x36 n ALA 924 Ca 0.12 0.38 0.12 0.00 0.00 0.00 0.00 53.44 54.05 2x36 n ALA 924 Cb 0.51 -2.14 0.55 0.00 0.00 0.00 0.00 19.45 18.37 2x36 n ALA 924 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x36 h ALA 925 N 2.33 2.07 -0.05 0.00 0.00 -1.93 -2.34 119.26 119.33 2x36 h ALA 925 Ca -0.43 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 2x36 h ALA 925 Cb 1.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2x36 h ALA 925 CO 0.62 -0.16 -0.42 0.35 0.00 0.00 0.00 179.25 179.64 2x36 h PHE 926 N 0.27 0.14 -0.56 0.00 3.57 -1.96 -1.88 116.94 116.52 2x36 h PHE 926 Ca 0.20 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2x36 h PHE 926 Cb 0.45 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 2x36 h PHE 926 CO -0.00 0.53 0.19 0.82 -2.23 0.00 0.00 178.31 177.61 2x36 h ILE 927 N 0.10 1.21 0.00 1.41 2.04 -1.79 -3.37 117.51 117.11 2x36 h ILE 927 Ca 0.01 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2x36 h ILE 927 Cb 0.79 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2x36 h ILE 927 CO 0.06 0.27 -1.41 1.07 0.00 0.00 0.00 178.15 178.14 2x36 n THR 928 N -4.31 0.00 -3.98 -0.27 5.66 -0.75 -4.85 114.28 105.78 2x36 n THR 928 Ca 0.04 -0.22 -0.22 0.00 -3.05 0.00 0.00 64.05 60.61 2x36 n THR 928 Cb 0.19 0.58 -0.02 0.00 -1.55 0.00 0.00 70.33 69.52 2x36 n THR 928 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2x36 s GLU 929 N -3.19 3.38 0.00 1.09 0.41 -0.97 -2.90 118.70 116.51 2x36 s GLU 929 Ca 0.01 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.80 2x36 s GLU 929 Cb 0.15 -2.86 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 2x36 s GLU 929 CO 0.87 0.44 0.00 0.41 -0.49 0.00 0.00 175.26 176.49 2x36 n GLY 930 N -1.23 1.05 3.53 -1.39 0.00 -1.26 -5.04 105.19 100.85 2x36 n GLY 930 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2x36 n GLY 930 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x36 s LEU 931 N 0.00 3.63 -0.35 0.99 1.43 -1.14 -4.75 118.68 118.49 2x36 s LEU 931 Ca 0.00 -0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 52.76 2x36 s LEU 931 Cb 0.00 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2x36 s LEU 931 CO 0.00 0.04 0.89 -0.70 0.23 0.00 0.00 176.35 176.80 2x36 s GLU 932 N 1.18 3.88 -0.07 1.70 2.12 -0.76 -4.98 118.70 121.77 2x36 s GLU 932 Ca 0.05 0.60 -0.00 0.00 0.36 0.00 0.00 54.97 55.97 2x36 s GLU 932 Cb -0.14 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 2x36 s GLU 932 CO 0.04 -0.86 -0.05 0.08 -0.54 0.00 0.00 175.26 173.93 2x36 s VAL 933 N 3.30 3.90 -0.10 3.70 1.01 -1.26 -0.67 120.40 130.28 2x36 s VAL 933 Ca 0.36 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2x36 s VAL 933 Cb -0.13 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.66 2x36 s VAL 933 CO 0.16 0.60 -0.14 -1.00 0.00 0.00 0.00 175.10 174.72 2x36 s HIS 934 N -0.83 1.85 -0.28 5.22 3.76 -0.48 -4.99 115.29 119.54 2x36 s HIS 934 Ca 0.13 -0.85 -0.17 0.00 -0.15 0.00 0.00 55.06 54.02 2x36 s HIS 934 Cb -0.11 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.20 2x36 s HIS 934 CO 0.02 -0.45 0.45 -0.06 -0.85 0.00 0.00 174.74 173.85 2x36 s PHE 935 N 1.00 3.25 0.07 1.40 0.08 -1.25 -0.88 117.98 121.65 2x36 s PHE 935 Ca -0.07 0.48 0.08 0.00 0.12 0.00 0.00 56.93 57.54 2x36 s PHE 935 Cb -0.15 -2.68 -0.03 0.00 -0.57 0.00 0.00 43.02 39.59 2x36 s PHE 935 CO -0.01 -0.29 -0.22 0.14 -0.10 0.00 0.00 175.22 174.74 2x36 s VAL 936 N 2.21 1.75 -0.08 -0.44 -7.23 -0.01 -4.73 120.40 111.88 2x36 s VAL 936 Ca 0.18 -1.39 0.16 0.00 -1.81 0.00 0.00 61.98 59.12 2x36 s VAL 936 Cb -0.16 -1.55 -0.24 0.00 0.56 0.00 0.00 36.38 34.99 2x36 s VAL 936 CO 0.10 0.09 0.26 -0.62 -0.31 0.00 0.00 175.10 174.62 2x36 n GLU 937 N 1.46 0.84 -4.02 4.82 1.02 -1.26 -1.59 120.64 121.90 2x36 n GLU 937 Ca -0.18 -0.10 -0.12 0.00 -0.02 0.00 0.00 57.16 56.74 2x36 n GLU 937 Cb 0.53 -1.42 -0.12 0.00 -0.02 0.00 0.00 31.44 30.42 2x36 n GLU 937 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2x36 s HIS 938 N -2.90 0.42 0.41 -0.32 3.76 -1.26 -0.96 115.29 114.44 2x36 s HIS 938 Ca -0.07 -0.42 0.15 0.00 -0.15 0.00 0.00 55.06 54.57 2x36 s HIS 938 Cb 0.09 -0.27 1.01 0.00 1.11 0.00 0.00 32.58 34.52 2x36 s HIS 938 CO 0.70 -0.11 1.90 -0.92 -0.85 0.00 0.00 174.74 175.47 2x36 h TYR 939 N 4.88 0.55 -0.54 1.40 3.20 -0.06 -0.85 116.97 125.56 2x36 h TYR 939 Ca -0.32 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.65 2x36 h TYR 939 Cb 1.20 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 2x36 h TYR 939 CO 0.60 0.20 0.36 -0.09 -1.64 0.00 0.00 178.16 177.60 2x36 h ARG 940 N 0.46 0.36 -0.47 1.82 9.65 -1.96 0.94 114.38 125.17 2x36 h ARG 940 Ca 0.40 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 59.20 2x36 h ARG 940 Cb 0.87 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.35 2x36 h ARG 940 CO -0.14 0.24 0.05 0.93 2.80 0.00 0.00 179.97 183.84 2x36 h GLU 941 N 0.37 0.75 -0.09 0.20 5.08 -1.56 -1.89 114.58 117.45 2x36 h GLU 941 Ca 0.25 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 2x36 h GLU 941 Cb 0.49 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2x36 h GLU 941 CO -0.06 0.73 -0.43 0.82 -1.00 0.00 0.00 179.01 179.07 2x36 h ILE 942 N 0.71 1.39 -0.73 3.13 2.04 -0.96 -2.91 117.51 120.18 2x36 h ILE 942 Ca 0.15 -1.80 0.16 0.00 1.00 0.00 0.00 64.86 64.37 2x36 h ILE 942 Cb 0.37 2.26 -0.11 0.00 -0.74 0.00 0.00 36.82 38.61 2x36 h ILE 942 CO 0.01 0.53 0.19 0.15 0.00 0.00 0.00 178.15 179.03 2x36 h PHE 943 N 0.00 0.31 -0.14 1.37 3.04 -0.72 -0.84 116.94 119.96 2x36 h PHE 943 Ca -0.03 0.04 -0.12 0.00 3.98 0.00 0.00 57.97 61.84 2x36 h PHE 943 Cb 1.08 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.56 2x36 h PHE 943 CO 0.12 -0.06 -0.44 -0.44 -2.02 0.00 0.00 178.31 175.46 2x36 h ASP 944 N 0.29 0.37 -0.25 0.41 3.32 -1.28 -1.34 116.42 117.94 2x36 h ASP 944 Ca 0.41 -0.17 -0.15 0.00 0.02 0.00 0.00 57.03 57.14 2x36 h ASP 944 Cb 0.69 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2x36 h ASP 944 CO -0.49 0.76 -0.45 0.40 -1.72 0.00 0.00 179.24 177.75 2x36 h ILE 945 N 0.28 1.30 -0.20 0.35 2.04 -1.34 -3.13 117.51 116.81 2x36 h ILE 945 Ca 0.02 -1.65 -0.11 0.00 1.00 0.00 0.00 64.86 64.12 2x36 h ILE 945 Cb 0.89 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2x36 h ILE 945 CO 0.07 0.53 -0.35 0.00 0.00 0.00 0.00 178.15 178.40 2x36 h ALA 946 N 0.65 1.03 -2.11 1.87 0.00 -0.90 -3.37 119.26 116.42 2x36 h ALA 946 Ca 0.01 -0.39 -0.54 0.00 0.00 0.00 0.00 54.91 53.99 2x36 h ALA 946 Cb 1.05 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 18.32 2x36 h ALA 946 CO 0.10 0.59 -0.94 1.19 0.00 0.00 0.00 179.25 180.19 2x36 n PHE 947 N -4.06 1.68 -0.30 0.00 3.72 -0.53 -1.70 117.46 116.27 2x36 n PHE 947 Ca -0.01 -3.87 0.16 0.00 -0.05 0.00 0.00 57.45 53.67 2x36 n PHE 947 Cb 0.46 -0.45 0.41 0.00 -0.94 0.00 0.00 39.48 38.96 2x36 n PHE 947 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2x36 h PRO 948 N 3.29 0.59 -0.00 -1.08 0.11 -1.71 -0.07 132.00 133.13 2x36 h PRO 948 Ca 0.12 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2x36 h PRO 948 Cb 0.78 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2x36 h PRO 948 CO 0.63 0.39 -0.05 -0.25 -0.21 0.00 0.00 178.00 178.51 2x36 n ASP 949 N -4.63 0.15 -4.80 -2.05 8.00 -1.26 -4.78 116.55 107.18 2x36 n ASP 949 Ca 0.21 -0.22 -0.32 0.00 0.71 0.00 0.00 54.79 55.17 2x36 n ASP 949 Cb 0.63 -0.22 0.04 0.00 -0.02 0.00 0.00 41.12 41.55 2x36 n ASP 949 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2x36 s GLU 950 N -2.59 2.95 0.56 -1.24 0.41 -0.04 -4.97 118.70 113.79 2x36 s GLU 950 Ca 0.27 1.15 -0.19 0.00 -0.41 0.00 0.00 54.97 55.79 2x36 s GLU 950 Cb 0.20 -1.99 -0.05 0.00 -1.78 0.00 0.00 34.13 30.52 2x36 s GLU 950 CO 0.48 -1.10 1.15 -1.14 -0.49 0.00 0.00 175.26 174.16 2x36 s GLN 951 N -4.51 3.21 0.71 1.61 0.74 -1.26 -4.98 119.66 115.18 2x36 s GLN 951 Ca 0.62 1.67 -0.11 0.00 0.05 0.00 0.00 55.36 57.60 2x36 s GLN 951 Cb -0.16 -1.98 0.02 0.00 1.10 0.00 0.00 33.01 31.99 2x36 s GLN 951 CO 0.46 -0.98 1.07 0.00 -0.55 0.00 0.00 175.29 175.29 2x36 s ALA 952 N -1.73 2.60 0.00 1.58 0.00 -1.26 -5.07 121.76 117.87 2x36 s ALA 952 Ca 0.74 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2x36 s ALA 952 Cb -0.26 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2x36 s ALA 952 CO 0.29 -1.33 0.00 -1.91 0.00 0.00 0.00 175.76 172.82