#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x36 s VAL 759 N 0.00 4.77 -0.12 5.18 0.11 -1.26 -5.02 120.40 124.06 2x36 s VAL 759 Ca 0.00 1.47 -0.33 0.00 -2.93 0.00 0.00 61.98 60.19 2x36 s VAL 759 Cb 0.00 -4.18 -0.10 0.00 -1.53 0.00 0.00 36.38 30.57 2x36 s VAL 759 CO 0.00 -0.20 1.99 0.35 -3.33 0.00 0.00 175.10 173.91 2x36 n THR 760 N 5.45 0.53 -1.98 5.04 -2.24 -1.26 -4.99 114.28 114.83 2x36 n THR 760 Ca 0.06 -0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 2x36 n THR 760 Cb 0.48 -2.02 0.05 0.00 -2.10 0.00 0.00 70.33 66.73 2x36 n THR 760 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2x36 s PRO 761 N 4.75 2.81 0.22 -0.78 0.04 -1.26 -4.56 135.00 136.22 2x36 s PRO 761 Ca 0.95 0.35 -0.32 0.00 0.04 0.00 0.00 61.00 62.03 2x36 s PRO 761 Cb -0.62 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 31.72 2x36 s PRO 761 CO 0.48 -1.01 1.34 -2.30 0.04 0.00 0.00 177.00 175.55 2x36 n PRO 762 N -2.95 1.81 -0.54 0.56 -0.02 -1.26 -2.75 135.00 129.86 2x36 n PRO 762 Ca 0.07 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2x36 n PRO 762 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.11 0.72 3.04 -1.23 0.00 -1.26 -4.67 105.19 103.90 2x36 n GLY 763 Ca 0.12 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 1.64 0.02 1.61 1.01 -1.11 0.43 120.40 122.00 2x36 s VAL 764 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2x36 s VAL 764 Cb 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2x36 s VAL 764 CO 0.00 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 174.72 2x36 s VAL 765 N 1.38 1.31 -0.08 2.92 1.01 -0.83 -4.61 120.40 121.50 2x36 s VAL 765 Ca 0.03 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 2x36 s VAL 765 Cb -0.13 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 2x36 s VAL 765 CO -0.10 0.21 0.76 -0.32 0.00 0.00 0.00 175.10 175.66 2x36 s MET 766 N -0.80 4.42 0.13 2.72 1.75 -1.26 0.09 119.30 126.35 2x36 s MET 766 Ca 0.05 0.98 0.09 0.00 -1.25 0.00 0.00 55.69 55.56 2x36 s MET 766 Cb -0.07 -3.48 -0.04 0.00 2.84 0.00 0.00 34.83 34.08 2x36 s MET 766 CO 0.01 -0.04 -0.17 0.20 -0.65 0.00 0.00 175.02 174.36 2x36 s GLY 767 N 0.91 1.70 -0.12 2.11 0.00 0.10 -2.75 107.32 109.28 2x36 s GLY 767 Ca 0.40 -1.38 -0.08 0.00 0.00 0.00 0.00 44.72 43.65 2x36 s GLY 767 CO 0.18 -1.37 0.17 1.08 0.00 0.00 0.00 173.10 173.16 2x36 s LEU 768 N -2.26 4.37 0.08 0.66 2.01 -0.84 -0.13 118.68 122.57 2x36 s LEU 768 Ca 0.19 0.49 0.07 0.00 0.01 0.00 0.00 54.13 54.88 2x36 s LEU 768 Cb -0.10 -2.13 -0.03 0.00 0.01 0.00 0.00 46.19 43.94 2x36 s LEU 768 CO 0.11 0.36 -0.18 0.00 1.01 0.00 0.00 176.35 177.65 2x36 s ALA 769 N -0.81 1.55 -0.36 4.21 0.00 0.35 -4.85 121.76 121.86 2x36 s ALA 769 Ca 0.15 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 2x36 s ALA 769 Cb -0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 2x36 s ALA 769 CO 0.04 0.30 0.24 -0.46 0.00 0.00 0.00 175.76 175.88 2x36 s TRP 770 N -1.09 3.23 0.20 0.00 -0.00 -1.26 -0.10 118.94 119.91 2x36 s TRP 770 Ca 0.04 -0.40 0.08 0.00 -0.00 0.00 0.00 56.10 55.82 2x36 s TRP 770 Cb -0.10 -2.49 -0.04 0.00 -0.00 0.00 0.00 33.47 30.84 2x36 s TRP 770 CO 0.03 -0.45 -0.04 0.95 -0.00 0.00 0.00 176.95 177.44 2x36 s THR 771 N 1.69 3.43 0.55 5.86 -4.23 0.21 -2.84 115.64 120.30 2x36 s THR 771 Ca 0.05 -1.64 0.34 0.00 -1.18 0.00 0.00 61.69 59.27 2x36 s THR 771 Cb -0.18 -2.74 0.37 0.00 1.34 0.00 0.00 72.50 71.29 2x36 s THR 771 CO 0.10 -0.17 2.24 0.00 -0.54 0.00 0.00 174.62 176.24 2x36 h ALA 772 N 2.61 1.28 0.00 3.99 0.00 -1.94 -0.63 119.26 124.56 2x36 h ALA 772 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2x36 h ALA 772 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2x36 h ALA 772 CO 0.57 0.04 -1.34 -1.33 0.00 0.00 0.00 179.25 177.19 2x36 n MET 773 N -3.53 0.24 0.00 0.00 2.81 -1.26 -5.07 117.12 110.31 2x36 n MET 773 Ca -0.03 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2x36 n MET 773 Cb 0.13 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 2x36 n MET 773 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2x36 n GLY 774 N 1.41 -0.56 3.26 3.03 0.00 -0.25 -5.15 105.19 106.93 2x36 n GLY 774 Ca 0.01 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 1.13 0.07 -0.02 0.00 -1.26 0.66 107.32 107.91 2x36 s GLY 775 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.76 2x36 s GLY 775 CO 0.00 -0.80 -0.08 -0.45 0.00 0.00 0.00 173.10 171.76 2x36 s SER 776 N -0.50 1.14 -0.18 1.64 0.15 0.86 -4.80 113.70 112.01 2x36 s SER 776 Ca 0.08 -0.75 -0.07 0.00 0.70 0.00 0.00 55.95 55.91 2x36 s SER 776 Cb -0.09 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 2x36 s SER 776 CO -0.01 -0.28 0.04 -0.89 1.20 0.00 0.00 173.24 173.30 2x36 s THR 777 N -2.27 4.57 -0.03 6.45 2.01 -1.26 0.13 115.64 125.24 2x36 s THR 777 Ca 0.01 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2x36 s THR 777 Cb -0.04 -3.06 0.03 0.00 0.01 0.00 0.00 72.50 69.44 2x36 s THR 777 CO -0.01 0.46 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.61 2x36 s LEU 778 N 0.48 1.16 -0.37 4.42 1.43 0.82 -4.96 118.68 121.66 2x36 s LEU 778 Ca 0.02 -0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.79 2x36 s LEU 778 Cb -0.13 -0.25 0.02 0.00 0.03 0.00 0.00 46.19 45.86 2x36 s LEU 778 CO 0.01 -0.10 1.11 -0.36 0.23 0.00 0.00 176.35 177.24 2x36 s PHE 779 N 1.04 3.02 0.25 0.29 0.08 -1.26 0.01 117.98 121.40 2x36 s PHE 779 Ca -0.09 1.03 -0.29 0.00 0.12 0.00 0.00 56.93 57.69 2x36 s PHE 779 Cb -0.14 -3.93 -0.09 0.00 -0.57 0.00 0.00 43.02 38.29 2x36 s PHE 779 CO -0.02 -0.99 0.93 0.08 -0.10 0.00 0.00 175.22 175.13 2x36 s VAL 780 N 3.95 4.11 -0.12 -0.44 1.01 0.11 -4.44 120.40 124.59 2x36 s VAL 780 Ca 0.47 2.03 -0.03 0.00 0.00 0.00 0.00 61.98 64.45 2x36 s VAL 780 Cb -0.11 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 32.04 2x36 s VAL 780 CO 0.21 0.45 0.04 -0.70 0.00 0.00 0.00 175.10 175.10 2x36 s GLU 781 N -1.30 0.37 -0.17 2.72 2.12 -0.00 -1.96 118.70 120.48 2x36 s GLU 781 Ca 0.42 -0.02 -0.07 0.00 0.36 0.00 0.00 54.97 55.66 2x36 s GLU 781 Cb -0.25 -1.37 -0.04 0.00 0.26 0.00 0.00 34.13 32.73 2x36 s GLU 781 CO 0.30 -0.48 0.07 0.95 -0.54 0.00 0.00 175.26 175.57 2x36 s THR 782 N 2.02 4.86 0.03 -1.70 -4.23 0.17 -0.38 115.64 116.41 2x36 s THR 782 Ca 0.03 -0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.54 2x36 s THR 782 Cb -0.14 -3.18 -0.02 0.00 1.34 0.00 0.00 72.50 70.50 2x36 s THR 782 CO -0.06 0.48 -0.06 -0.94 -0.54 0.00 0.00 174.62 173.50 2x36 s SER 783 N 0.20 0.60 0.38 3.99 1.04 -0.94 -4.70 113.70 114.27 2x36 s SER 783 Ca 0.05 -0.56 -0.26 0.00 0.48 0.00 0.00 55.95 55.66 2x36 s SER 783 Cb -0.12 0.07 -0.12 0.00 0.10 0.00 0.00 66.02 65.95 2x36 s SER 783 CO 0.00 -0.26 1.08 -0.11 0.98 0.00 0.00 173.24 174.93 2x36 n LEU 784 N 1.43 2.74 -4.25 2.42 7.94 -1.26 -1.60 117.00 124.42 2x36 n LEU 784 Ca -0.23 1.10 -0.28 0.00 -1.11 0.00 0.00 56.01 55.50 2x36 n LEU 784 Cb 0.55 -1.38 -0.15 0.00 0.53 0.00 0.00 43.42 42.97 2x36 n LEU 784 CO 0.21 -1.21 -0.54 -0.60 -1.11 0.00 0.00 177.39 174.14 2x36 s ARG 785 N -1.91 1.75 0.00 1.96 3.00 -0.67 -4.75 118.95 118.33 2x36 s ARG 785 Ca 0.61 -0.83 0.00 0.00 -1.00 0.00 0.00 55.73 54.50 2x36 s ARG 785 Cb -0.58 -1.73 0.00 0.00 0.00 0.00 0.00 34.95 32.64 2x36 s ARG 785 CO 0.59 0.47 0.00 2.89 0.00 0.00 0.00 175.30 179.24 2x36 n ARG 786 N 2.40 0.00 0.00 5.12 1.85 -1.26 -4.77 116.66 119.99 2x36 n ARG 786 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 2x36 n ARG 786 Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 2x36 n ARG 786 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2x36 n ASP 797 N 0.56 0.00 -2.55 2.89 5.75 -1.25 -5.20 116.55 116.76 2x36 n ASP 797 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2x36 n ASP 797 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2x36 n ASP 797 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x36 n GLY 798 N 0.79 -0.32 3.51 6.12 0.00 -0.25 -4.90 105.19 110.15 2x36 n GLY 798 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 2x36 n GLY 798 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x36 s SER 799 N -1.00 -0.49 -0.16 1.61 1.04 -1.06 -4.91 113.70 108.73 2x36 s SER 799 Ca 0.00 0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.74 2x36 s SER 799 Cb 0.00 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.60 2x36 s SER 799 CO 0.00 -0.60 -0.06 -0.22 0.98 0.00 0.00 173.24 173.34 2x36 s LEU 800 N -1.77 1.59 -0.15 2.42 2.96 -1.26 -0.68 118.68 121.79 2x36 s LEU 800 Ca -0.02 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.20 2x36 s LEU 800 Cb -0.01 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 2x36 s LEU 800 CO -0.01 -0.17 0.08 -1.83 -1.32 0.00 0.00 176.35 173.09 2x36 s GLU 801 N 1.63 3.64 -0.06 1.98 -1.05 0.17 -4.97 118.70 120.05 2x36 s GLU 801 Ca 0.01 -0.28 0.01 0.00 -0.15 0.00 0.00 54.97 54.56 2x36 s GLU 801 Cb -0.15 -3.14 -0.03 0.00 -0.44 0.00 0.00 34.13 30.37 2x36 s GLU 801 CO -0.08 0.51 -0.06 0.08 0.95 0.00 0.00 175.26 176.66 2x36 s VAL 802 N -0.30 3.73 0.34 1.83 1.01 -1.26 -0.57 120.40 125.18 2x36 s VAL 802 Ca 0.09 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2x36 s VAL 802 Cb -0.12 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2x36 s VAL 802 CO 0.01 0.57 0.10 0.42 0.00 0.00 0.00 175.10 176.20 2x36 s THR 803 N -0.84 0.78 0.00 3.92 -4.23 0.71 -4.92 115.64 111.06 2x36 s THR 803 Ca 0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2x36 s THR 803 Cb -0.11 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2x36 s THR 803 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2x36 n GLY 804 N -0.72 0.85 3.67 3.99 0.00 -1.26 -1.56 105.19 110.17 2x36 n GLY 804 Ca -0.03 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.08 1.97 -4.02 1.61 7.27 -1.26 -4.38 117.38 118.48 2x36 n GLN 805 Ca 0.00 0.69 -0.10 0.00 0.07 0.00 0.00 57.00 57.67 2x36 n GLN 805 Cb 0.06 -2.25 -0.08 0.00 2.41 0.00 0.00 30.24 30.38 2x36 n GLN 805 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2x36 s LEU 806 N -0.51 1.18 0.00 1.69 2.96 -1.26 -4.96 118.68 117.78 2x36 s LEU 806 Ca 0.59 -0.99 -0.20 0.00 -0.22 0.00 0.00 54.13 53.31 2x36 s LEU 806 Cb -0.61 0.92 0.31 0.00 0.50 0.00 0.00 46.19 47.31 2x36 s LEU 806 CO 0.59 -0.85 0.69 0.61 -1.32 0.00 0.00 176.35 176.07 2x36 n GLY 807 N -0.19 -3.31 0.35 7.98 0.00 -1.26 -4.46 105.19 104.31 2x36 n GLY 807 Ca -0.06 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.00 2x36 n GLY 807 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2x36 h GLU 808 N 0.00 0.41 0.06 1.61 5.08 -2.02 -2.01 114.58 117.71 2x36 h GLU 808 Ca -0.31 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2x36 h GLU 808 Cb 1.06 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2x36 h GLU 808 CO 0.19 0.27 -0.03 0.28 -1.00 0.00 0.00 179.01 178.72 2x36 h VAL 809 N 0.42 1.25 -0.47 3.13 2.07 -1.98 -0.39 116.25 120.29 2x36 h VAL 809 Ca 0.28 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2x36 h VAL 809 Cb 0.52 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2x36 h VAL 809 CO -0.08 0.29 0.26 -0.03 0.02 0.00 0.00 177.57 178.03 2x36 h MET 810 N -0.62 0.63 0.26 1.57 1.85 -1.74 -0.30 114.93 116.60 2x36 h MET 810 Ca -0.01 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.02 2x36 h MET 810 Cb 0.53 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 32.42 2x36 h MET 810 CO 0.01 0.46 -0.15 -0.22 -0.40 0.00 0.00 176.91 176.61 2x36 h LYS 811 N 0.64 -0.38 -0.37 0.39 3.64 -1.25 -2.04 116.57 117.21 2x36 h LYS 811 Ca 0.17 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2x36 h LYS 811 Cb 0.01 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2x36 h LYS 811 CO -0.03 -0.25 0.24 0.93 -2.27 0.00 0.00 179.45 178.07 2x36 h GLU 812 N -0.40 0.37 -0.66 1.90 4.39 -0.79 -1.83 114.58 117.57 2x36 h GLU 812 Ca -0.03 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2x36 h GLU 812 Cb 0.32 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2x36 h GLU 812 CO 0.03 0.24 0.32 1.03 -1.16 0.00 0.00 179.01 179.48 2x36 h SER 813 N 0.38 0.85 0.26 1.42 0.87 -0.86 0.43 113.55 116.90 2x36 h SER 813 Ca 0.15 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2x36 h SER 813 Cb 0.13 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2x36 h SER 813 CO -0.03 0.74 -0.30 0.00 -0.53 0.00 0.00 176.83 176.71 2x36 h ALA 814 N 1.15 -0.60 -1.00 6.23 0.00 -0.77 -1.43 119.26 122.84 2x36 h ALA 814 Ca 0.23 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.24 2x36 h ALA 814 Cb 0.11 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 2x36 h ALA 814 CO -0.03 -0.88 0.61 0.00 0.00 0.00 0.00 179.25 178.96 2x36 h ARG 815 N -0.60 0.71 -0.41 0.00 3.08 -0.72 -1.13 114.38 115.31 2x36 h ARG 815 Ca -0.00 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2x36 h ARG 815 Cb 0.57 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2x36 h ARG 815 CO -0.08 0.47 -0.00 0.82 -1.07 0.00 0.00 179.97 180.10 2x36 h ILE 816 N 0.73 1.26 -0.36 2.04 2.04 0.17 -1.89 117.51 121.50 2x36 h ILE 816 Ca 0.57 -1.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 2x36 h ILE 816 Cb 0.93 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2x36 h ILE 816 CO -0.36 0.35 0.01 0.00 0.00 0.00 0.00 178.15 178.15 2x36 h ALA 817 N 0.89 0.49 -0.75 1.87 0.00 -0.50 -0.43 119.26 120.83 2x36 h ALA 817 Ca 0.12 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.87 2x36 h ALA 817 Cb 0.49 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2x36 h ALA 817 CO 0.02 0.24 0.41 -0.92 0.00 0.00 0.00 179.25 179.00 2x36 h TYR 818 N 0.45 0.73 -0.60 0.00 -0.00 -1.21 0.11 116.97 116.47 2x36 h TYR 818 Ca 0.10 0.03 -0.10 0.00 -0.00 0.00 0.00 58.73 58.77 2x36 h TYR 818 Cb 0.44 -0.22 -0.02 0.00 -0.00 0.00 0.00 36.73 36.93 2x36 h TYR 818 CO 0.03 0.30 -0.01 1.15 -0.00 0.00 0.00 178.16 179.63 2x36 h THR 819 N 0.70 1.27 -0.01 1.81 2.02 -1.09 -2.70 112.91 114.90 2x36 h THR 819 Ca 0.36 -1.16 -0.18 0.00 0.77 0.00 0.00 66.41 66.20 2x36 h THR 819 Cb 0.33 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2x36 h THR 819 CO -0.24 0.42 -0.81 0.15 0.37 0.00 0.00 175.52 175.41 2x36 h PHE 820 N 0.95 0.28 -0.01 3.16 3.04 -0.88 -2.44 116.94 121.05 2x36 h PHE 820 Ca 0.17 -0.15 -0.15 0.00 3.98 0.00 0.00 57.97 61.83 2x36 h PHE 820 Cb 0.57 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 2x36 h PHE 820 CO 0.04 0.92 -0.69 0.00 -2.02 0.00 0.00 178.31 176.57 2x36 h ALA 821 N 1.03 0.85 -0.32 2.41 0.00 -0.97 0.11 119.26 122.37 2x36 h ALA 821 Ca -0.03 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.16 2x36 h ALA 821 Cb 1.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2x36 h ALA 821 CO 0.12 0.85 -0.19 0.00 0.00 0.00 0.00 179.25 180.03 2x36 h ARG 822 N 0.02 0.69 -0.35 0.00 3.08 -1.42 -0.67 114.38 115.73 2x36 h ARG 822 Ca -0.01 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 2x36 h ARG 822 Cb 1.22 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 2x36 h ARG 822 CO 0.09 0.92 0.19 0.00 -1.07 0.00 0.00 179.97 180.10 2x36 h ALA 823 N 0.75 0.45 -0.52 0.04 0.00 -1.11 -1.68 119.26 117.19 2x36 h ALA 823 Ca 0.07 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2x36 h ALA 823 Cb 0.73 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2x36 h ALA 823 CO 0.05 -0.02 0.07 0.35 0.00 0.00 0.00 179.25 179.70 2x36 h PHE 824 N 0.44 0.94 -0.18 0.00 3.04 -0.80 -0.62 116.94 119.76 2x36 h PHE 824 Ca 0.12 -0.14 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 2x36 h PHE 824 Cb 0.06 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.31 2x36 h PHE 824 CO -0.03 0.85 -0.36 1.25 -2.02 0.00 0.00 178.31 178.00 2x36 h LEU 825 N 0.75 0.40 -0.69 0.59 5.85 -1.06 -1.15 115.31 120.00 2x36 h LEU 825 Ca 0.16 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2x36 h LEU 825 Cb 0.43 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2x36 h LEU 825 CO 0.01 0.73 0.30 -0.03 -0.34 0.00 0.00 178.44 179.11 2x36 h MET 826 N 0.33 1.01 -0.36 1.25 4.05 -1.01 0.49 114.93 120.68 2x36 h MET 826 Ca 0.04 -0.17 -0.09 0.00 -0.28 0.00 0.00 59.70 59.20 2x36 h MET 826 Cb 0.79 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 2x36 h MET 826 CO 0.06 0.82 -0.11 1.96 0.23 0.00 0.00 176.91 179.87 2x36 h GLN 827 N 0.96 0.72 0.16 0.39 1.08 -0.83 -3.02 115.11 114.57 2x36 h GLN 827 Ca 0.23 -0.28 -0.35 0.00 -1.45 0.00 0.00 58.65 56.80 2x36 h GLN 827 Cb 0.17 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2x36 h GLN 827 CO -0.02 0.88 -1.83 1.25 -0.95 0.00 0.00 178.83 178.16 2x36 h HIS 828 N 0.51 0.60 -2.61 2.96 2.76 -1.08 -3.41 115.15 114.87 2x36 h HIS 828 Ca 0.09 -0.44 -0.60 0.00 -2.20 0.00 0.00 60.37 57.22 2x36 h HIS 828 Cb 0.63 -0.02 -0.41 0.00 1.55 0.00 0.00 27.41 29.16 2x36 h HIS 828 CO 0.05 1.72 -0.75 0.00 -1.30 0.00 0.00 177.93 177.65 2x36 n ALA 829 N -2.94 3.26 -0.54 5.26 0.00 0.17 -4.97 120.51 120.75 2x36 n ALA 829 Ca -0.28 -4.04 0.44 0.00 0.00 0.00 0.00 53.44 49.56 2x36 n ALA 829 Cb 1.05 -0.90 0.72 0.00 0.00 0.00 0.00 19.45 20.32 2x36 n ALA 829 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2x36 h PRO 830 N 5.11 0.03 0.00 0.00 0.11 -1.63 -2.13 132.00 133.49 2x36 h PRO 830 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2x36 h PRO 830 Cb 0.80 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2x36 h PRO 830 CO 0.61 0.02 -0.69 0.00 -0.21 0.00 0.00 178.00 177.72 2x36 h ALA 831 N 1.39 0.60 -2.57 -0.75 0.00 -1.89 -3.45 119.26 112.60 2x36 h ALA 831 Ca 0.87 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 55.14 2x36 h ALA 831 Cb 3.06 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 20.70 2x36 h ALA 831 CO -0.28 0.00 -0.13 1.21 0.00 0.00 0.00 179.25 180.05 2x36 s ASN 832 N -4.84 6.30 -0.02 0.00 3.84 -0.80 -4.94 114.94 114.47 2x36 s ASN 832 Ca 0.04 0.12 0.17 0.00 0.21 0.00 0.00 52.86 53.40 2x36 s ASN 832 Cb 0.11 -2.24 0.52 0.00 -0.55 0.00 0.00 41.25 39.09 2x36 s ASN 832 CO 0.74 -0.35 1.44 -0.90 -2.79 0.00 0.00 177.10 175.24 2x36 n ASP 833 N 5.55 3.66 -0.14 -4.21 3.85 -1.26 -4.68 116.55 119.32 2x36 n ASP 833 Ca -0.06 -2.10 -0.06 0.00 -0.71 0.00 0.00 54.79 51.86 2x36 n ASP 833 Cb 0.50 -0.40 0.03 0.00 -1.35 0.00 0.00 41.12 39.89 2x36 n ASP 833 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.20 176.41 2x36 h TYR 834 N 3.29 0.39 0.00 2.11 3.20 -1.92 0.54 116.97 124.58 2x36 h TYR 834 Ca 0.00 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 2x36 h TYR 834 Cb 0.97 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 2x36 h TYR 834 CO 0.43 0.20 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.76 2x36 h LEU 835 N 0.43 0.00 0.00 2.82 4.07 -1.92 0.90 115.31 121.60 2x36 h LEU 835 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 2x36 h LEU 835 Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 2x36 h LEU 835 CO -0.13 0.32 -0.80 0.58 -1.08 0.00 0.00 178.44 177.33 2x36 h VAL 836 N 0.00 0.00 0.00 1.22 2.07 -1.37 -3.41 116.25 114.77 2x36 h VAL 836 Ca -0.00 -0.81 -0.33 0.00 0.82 0.00 0.00 66.70 66.38 2x36 h VAL 836 Cb 0.72 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 2x36 h VAL 836 CO 0.04 0.00 -2.24 0.35 0.02 0.00 0.00 177.57 175.74 2x36 n THR 837 N -2.49 1.24 -2.92 2.57 -2.24 0.17 -1.09 114.28 109.53 2x36 n THR 837 Ca 0.01 -0.60 -0.35 0.00 -2.27 0.00 0.00 64.05 60.84 2x36 n THR 837 Cb 0.51 -0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 67.72 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 -5.70 7.06 -0.31 3.42 0.01 0.29 -3.83 113.70 114.64 2x36 s SER 838 Ca -0.20 1.61 -0.22 0.00 1.31 0.00 0.00 55.95 58.45 2x36 s SER 838 Cb 0.07 -2.50 -0.00 0.00 0.21 0.00 0.00 66.02 63.79 2x36 s SER 838 CO 0.61 -0.16 0.70 -1.00 0.41 0.00 0.00 173.24 173.79 2x36 s HIS 839 N -1.83 3.21 -0.05 2.43 3.76 -1.26 -2.56 115.29 118.98 2x36 s HIS 839 Ca 0.53 0.67 0.06 0.00 -0.15 0.00 0.00 55.06 56.17 2x36 s HIS 839 Cb -0.14 -3.09 -0.01 0.00 1.11 0.00 0.00 32.58 30.45 2x36 s HIS 839 CO 0.19 -0.52 -0.24 0.42 -0.85 0.00 0.00 174.74 173.74 2x36 s ILE 840 N 2.76 2.15 -0.31 0.60 1.01 0.15 -1.67 121.20 125.88 2x36 s ILE 840 Ca 0.28 -1.05 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 2x36 s ILE 840 Cb -0.15 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 2x36 s ILE 840 CO 0.12 0.57 0.41 -2.28 0.00 0.00 0.00 174.94 173.77 2x36 s HIS 841 N -0.33 3.22 -0.26 3.97 5.65 -0.62 0.41 115.29 127.32 2x36 s HIS 841 Ca 0.02 0.21 -0.14 0.00 0.25 0.00 0.00 55.06 55.41 2x36 s HIS 841 Cb -0.12 -2.70 -0.04 0.00 -1.18 0.00 0.00 32.58 28.53 2x36 s HIS 841 CO 0.02 -0.38 0.31 -1.17 -0.65 0.00 0.00 174.74 172.87 2x36 s LEU 842 N 2.15 4.05 -0.22 8.88 2.96 0.26 -2.21 118.68 134.55 2x36 s LEU 842 Ca 0.15 0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 54.19 2x36 s LEU 842 Cb -0.16 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2x36 s LEU 842 CO 0.11 -0.12 0.09 -2.28 -1.32 0.00 0.00 176.35 172.83 2x36 s HIS 843 N 1.83 3.18 -0.32 5.38 5.65 0.49 -0.21 115.29 131.30 2x36 s HIS 843 Ca 0.13 -0.09 0.02 0.00 0.25 0.00 0.00 55.06 55.36 2x36 s HIS 843 Cb -0.16 -2.19 0.10 0.00 -1.18 0.00 0.00 32.58 29.15 2x36 s HIS 843 CO 0.10 -0.09 0.06 0.08 -0.65 0.00 0.00 174.74 174.24 2x36 s VAL 844 N 1.07 1.66 0.38 0.89 1.01 -0.60 -0.82 120.40 123.99 2x36 s VAL 844 Ca 0.05 -1.89 -0.24 0.00 0.00 0.00 0.00 61.98 59.90 2x36 s VAL 844 Cb -0.14 -2.22 -0.13 0.00 0.00 0.00 0.00 36.38 33.89 2x36 s VAL 844 CO 0.04 -0.60 0.66 -2.65 0.00 0.00 0.00 175.10 172.54 2x36 n PRO 845 N 4.52 0.72 -1.33 2.72 -0.02 -1.26 -4.12 135.00 136.23 2x36 n PRO 845 Ca 0.01 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.44 2x36 n PRO 845 Cb 0.42 -1.57 0.11 0.00 -0.02 0.00 0.00 33.50 32.44 2x36 n PRO 845 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2x36 s GLU 846 N -1.58 1.74 0.00 -0.52 1.03 -1.26 -4.66 118.70 113.45 2x36 s GLU 846 Ca 0.63 0.84 0.00 0.00 0.03 0.00 0.00 54.97 56.47 2x36 s GLU 846 Cb -0.64 -1.86 0.00 0.00 -0.80 0.00 0.00 34.13 30.83 2x36 s GLU 846 CO 0.58 -1.91 0.00 0.41 -1.33 0.00 0.00 175.26 173.01 2x36 n GLY 847 N -1.45 4.11 3.77 -3.83 0.00 -1.26 -5.10 105.19 101.43 2x36 n GLY 847 Ca 0.07 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 2x36 n GLY 847 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x36 n ALA 848 N 0.00 2.30 -0.87 4.61 0.00 -1.26 -4.38 120.51 120.91 2x36 n ALA 848 Ca 0.00 0.34 -0.28 0.00 0.00 0.00 0.00 53.44 53.49 2x36 n ALA 848 Cb 0.00 -2.41 0.21 0.00 0.00 0.00 0.00 19.45 17.25 2x36 n ALA 848 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2x36 s THR 849 N -1.12 2.04 0.15 0.00 -4.23 -1.13 -4.95 115.64 106.38 2x36 s THR 849 Ca 0.54 0.01 -0.17 0.00 -1.18 0.00 0.00 61.69 60.89 2x36 s THR 849 Cb -0.48 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 2x36 s THR 849 CO 0.63 -0.02 1.80 -0.65 -0.54 0.00 0.00 174.62 175.85 2x36 h PRO 850 N -2.27 0.44 -0.58 3.99 0.11 -1.94 -3.21 132.00 128.55 2x36 h PRO 850 Ca -0.58 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.60 2x36 h PRO 850 Cb 1.33 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2x36 h PRO 850 CO 0.54 0.29 0.39 -0.22 -0.21 0.00 0.00 178.00 178.79 2x36 h LYS 851 N 0.46 0.37 -0.52 1.05 3.64 -1.98 0.20 116.57 119.79 2x36 h LYS 851 Ca 0.13 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2x36 h LYS 851 Cb -0.04 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2x36 h LYS 851 CO -0.04 0.25 0.00 -3.47 -2.27 0.00 0.00 179.45 173.92 2x36 n ASP 852 N -4.47 2.48 -0.32 4.20 4.64 -1.22 -4.60 116.55 117.26 2x36 n ASP 852 Ca 0.09 -2.17 -0.02 0.00 -1.38 0.00 0.00 54.79 51.31 2x36 n ASP 852 Cb 0.37 -0.37 0.10 0.00 -1.04 0.00 0.00 41.12 40.18 2x36 n ASP 852 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 2x36 h GLY 853 N 4.95 1.25 -0.33 0.27 0.00 -0.60 -3.00 103.07 105.62 2x36 h GLY 853 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2x36 h GLY 853 CO 0.09 0.40 0.00 -1.55 0.00 0.00 0.00 176.54 175.48 2x36 n PRO 854 N -4.51 1.53 0.27 4.80 -0.05 -1.26 -4.23 135.00 131.55 2x36 n PRO 854 Ca 0.10 -0.79 0.16 0.00 -0.05 0.00 0.00 63.50 62.92 2x36 n PRO 854 Cb 0.06 -1.42 0.61 0.00 -0.05 0.00 0.00 33.50 32.70 2x36 n PRO 854 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 2x36 h SER 855 N 1.73 0.00 -0.15 3.54 0.87 -1.81 -3.05 113.55 114.68 2x36 h SER 855 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2x36 h SER 855 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2x36 h SER 855 CO 0.00 0.02 0.00 0.00 -0.53 0.00 0.00 176.83 176.32 2x36 n ALA 856 N -2.10 2.52 -0.14 6.23 0.00 -1.26 -0.63 120.51 125.11 2x36 n ALA 856 Ca 0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.03 2x36 n ALA 856 Cb 0.34 -1.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 5.36 -0.13 1.99 0.00 0.00 -1.55 -1.41 103.07 107.33 2x36 h GLY 857 Ca 0.00 0.39 -0.16 0.00 0.00 0.00 0.00 47.33 47.55 2x36 h GLY 857 CO 0.00 -0.21 -0.78 0.00 0.00 0.00 0.00 176.54 175.55 2x36 h THR 859 N 0.00 1.05 -0.75 0.00 2.02 -1.80 -0.66 112.91 112.77 2x36 h THR 859 Ca -0.01 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 2x36 h THR 859 Cb 1.38 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.77 2x36 h THR 859 CO 0.10 0.04 0.46 0.40 0.37 0.00 0.00 175.52 176.90 2x36 h ILE 860 N 0.05 1.21 -0.36 3.11 2.04 -1.06 -1.69 117.51 120.81 2x36 h ILE 860 Ca 0.02 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 2x36 h ILE 860 Cb 0.03 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 2x36 h ILE 860 CO -0.00 0.21 -0.16 0.58 0.00 0.00 0.00 178.15 178.78 2x36 h VAL 861 N 1.02 1.26 -0.03 1.67 2.07 -1.30 -2.02 116.25 118.93 2x36 h VAL 861 Ca 0.27 -1.19 -0.18 0.00 0.82 0.00 0.00 66.70 66.43 2x36 h VAL 861 Cb -0.05 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2x36 h VAL 861 CO -0.05 0.39 -0.76 0.74 0.02 0.00 0.00 177.57 177.91 2x36 h THR 862 N 0.59 1.44 -0.42 2.57 2.02 -0.66 -2.53 112.91 115.92 2x36 h THR 862 Ca 0.10 -2.32 -0.13 0.00 0.77 0.00 0.00 66.41 64.83 2x36 h THR 862 Cb 0.61 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2x36 h THR 862 CO 0.04 0.68 -0.25 0.00 0.37 0.00 0.00 175.52 176.37 2x36 h ALA 863 N 1.04 0.77 -0.41 6.16 0.00 -0.66 -1.32 119.26 124.84 2x36 h ALA 863 Ca -0.03 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2x36 h ALA 863 Cb 1.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2x36 h ALA 863 CO 0.12 0.66 -0.03 -0.07 0.00 0.00 0.00 179.25 179.92 2x36 h LEU 864 N 0.75 0.66 0.12 0.00 3.38 -1.26 -1.36 115.31 117.60 2x36 h LEU 864 Ca 0.09 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 2x36 h LEU 864 Cb 0.79 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.39 2x36 h LEU 864 CO 0.07 0.75 -0.75 -0.07 0.09 0.00 0.00 178.44 178.53 2x36 h LEU 865 N 0.64 0.45 -0.86 1.67 3.38 -1.31 -1.76 115.31 117.52 2x36 h LEU 865 Ca 0.12 -0.94 0.08 0.00 0.09 0.00 0.00 57.88 57.24 2x36 h LEU 865 Cb 0.45 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 2x36 h LEU 865 CO 0.02 1.35 -0.58 -1.28 0.09 0.00 0.00 178.44 178.05 2x36 h SER 866 N -0.39 -2.07 -0.57 -0.43 0.87 -1.12 0.68 113.55 110.51 2x36 h SER 866 Ca -0.13 0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 2x36 h SER 866 Cb 1.58 0.91 -0.03 0.00 -0.44 0.00 0.00 62.40 64.42 2x36 h SER 866 CO 0.14 -0.27 0.21 0.25 -0.53 0.00 0.00 176.83 176.63 2x36 h LEU 867 N -0.10 0.84 -0.42 2.23 6.46 -1.27 0.19 115.31 123.25 2x36 h LEU 867 Ca 0.14 -0.13 -0.18 0.00 -0.12 0.00 0.00 57.88 57.60 2x36 h LEU 867 Cb 0.46 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2x36 h LEU 867 CO -0.86 0.78 -0.78 0.00 -0.62 0.00 0.00 178.44 176.96 2x36 h ALA 868 N 1.34 0.64 -0.02 1.25 0.00 -0.30 -2.56 119.26 119.62 2x36 h ALA 868 Ca 0.20 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2x36 h ALA 868 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2x36 h ALA 868 CO -0.01 0.86 -0.03 -1.33 0.00 0.00 0.00 179.25 178.74 2x36 n MET 869 N -3.73 1.63 -3.98 0.00 2.81 0.12 -4.87 117.12 109.10 2x36 n MET 869 Ca -0.03 -0.98 -0.30 0.00 -1.81 0.00 0.00 57.70 54.58 2x36 n MET 869 Cb 0.74 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 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 1.20 -0.41 2.92 3.03 0.00 0.25 -4.95 105.19 107.24 2x36 n GLY 870 Ca 0.18 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 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 -6.61 1.62 0.58 1.61 1.81 0.42 -4.91 118.95 113.46 2x36 s ARG 871 Ca 0.48 -0.34 -0.17 0.00 -1.72 0.00 0.00 55.73 53.99 2x36 s ARG 871 Cb -0.25 -1.72 -0.04 0.00 -0.45 0.00 0.00 34.95 32.48 2x36 s ARG 871 CO 0.87 -0.29 1.06 -1.25 -0.68 0.00 0.00 175.30 175.01 2x36 s PRO 872 N 1.67 3.38 0.41 3.54 0.04 -1.26 -4.44 135.00 138.34 2x36 s PRO 872 Ca 0.04 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 2x36 s PRO 872 Cb -0.13 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2x36 s PRO 872 CO -0.08 -0.76 1.14 0.08 0.04 0.00 0.00 177.00 177.41 2x36 s VAL 873 N -2.35 3.27 0.82 -0.36 1.01 -1.26 -4.92 120.40 116.61 2x36 s VAL 873 Ca 0.65 1.01 -0.15 0.00 0.00 0.00 0.00 61.98 63.49 2x36 s VAL 873 Cb -0.16 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2x36 s VAL 873 CO 0.34 0.05 0.49 -2.11 0.00 0.00 0.00 175.10 173.86 2x36 n ARG 874 N -0.10 0.06 -1.84 2.72 -4.01 -1.03 -4.82 116.66 107.64 2x36 n ARG 874 Ca 0.05 0.07 -0.32 0.00 -1.04 0.00 0.00 57.85 56.61 2x36 n ARG 874 Cb 0.48 -1.85 0.03 0.00 -3.04 0.00 0.00 32.46 28.07 2x36 n ARG 874 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 2x36 s GLN 875 N -3.15 3.20 -1.13 2.89 -1.52 -1.26 -4.27 119.66 114.42 2x36 s GLN 875 Ca 0.62 1.05 -0.04 0.00 -1.95 0.00 0.00 55.36 55.04 2x36 s GLN 875 Cb -0.29 -2.02 -0.03 0.00 -0.22 0.00 0.00 33.01 30.45 2x36 s GLN 875 CO 0.62 -0.90 0.94 -1.71 -0.25 0.00 0.00 175.29 173.99 2x36 n ASN 876 N -2.55 -4.28 -3.70 5.90 5.15 -1.26 -5.01 115.26 109.51 2x36 n ASN 876 Ca 0.08 -0.69 -0.11 0.00 -0.60 0.00 0.00 54.58 53.26 2x36 n ASN 876 Cb 0.53 -5.06 -0.11 0.00 -0.53 0.00 0.00 39.78 34.62 2x36 n ASN 876 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2x36 s LEU 877 N -5.92 -0.02 0.10 1.20 2.96 -1.26 -3.91 118.68 111.83 2x36 s LEU 877 Ca 0.23 0.88 0.07 0.00 -0.22 0.00 0.00 54.13 55.10 2x36 s LEU 877 Cb -0.03 1.35 -0.03 0.00 0.50 0.00 0.00 46.19 47.98 2x36 s LEU 877 CO 0.74 -0.19 -0.19 0.00 -1.32 0.00 0.00 176.35 175.40 2x36 s ALA 878 N 1.24 1.65 0.22 5.97 0.00 -1.00 -4.46 121.76 125.38 2x36 s ALA 878 Ca -0.08 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.70 2x36 s ALA 878 Cb -0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 2x36 s ALA 878 CO -0.11 0.30 0.03 0.00 0.00 0.00 0.00 175.76 175.97 2x36 s MET 879 N -1.94 1.29 -0.03 0.00 0.23 -1.11 -0.49 119.30 117.24 2x36 s MET 879 Ca 0.05 -1.66 -0.25 0.00 -1.03 0.00 0.00 55.69 52.80 2x36 s MET 879 Cb -0.10 -0.41 0.05 0.00 -1.53 0.00 0.00 34.83 32.84 2x36 s MET 879 CO 0.04 -0.16 0.54 -0.08 -2.03 0.00 0.00 175.02 173.33 2x36 s THR 880 N -3.58 0.02 0.00 3.16 -1.32 -1.05 -1.98 115.64 110.88 2x36 s THR 880 Ca 0.29 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 2x36 s THR 880 Cb 0.06 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 2x36 s THR 880 CO 0.08 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 2x36 n GLY 881 N 1.01 4.45 3.76 6.08 0.00 0.19 -4.15 105.19 116.54 2x36 n GLY 881 Ca -0.20 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.23 4.49 -0.12 1.61 2.12 -1.10 -1.91 118.70 120.56 2x36 s GLU 882 Ca 0.00 1.99 0.00 0.00 0.36 0.00 0.00 54.97 57.33 2x36 s GLU 882 Cb 0.00 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 2x36 s GLU 882 CO 0.00 -0.02 -0.13 0.08 -0.54 0.00 0.00 175.26 174.65 2x36 s VAL 883 N -0.89 3.11 0.69 3.70 1.01 -1.26 0.82 120.40 127.59 2x36 s VAL 883 Ca 0.48 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 2x36 s VAL 883 Cb -0.35 -2.30 0.06 0.00 0.00 0.00 0.00 36.38 33.79 2x36 s VAL 883 CO 0.45 0.53 0.99 -0.94 0.00 0.00 0.00 175.10 176.14 2x36 s SER 884 N 0.16 4.86 0.45 3.32 1.04 0.06 -4.88 113.70 118.71 2x36 s SER 884 Ca -0.07 0.42 0.15 0.00 0.48 0.00 0.00 55.95 56.93 2x36 s SER 884 Cb -0.15 -1.09 1.02 0.00 0.10 0.00 0.00 66.02 65.90 2x36 s SER 884 CO 0.05 -1.56 1.99 -0.07 0.98 0.00 0.00 173.24 174.63 2x36 h LEU 885 N -0.54 0.00 -0.35 2.42 3.38 -1.91 -2.17 115.31 116.14 2x36 h LEU 885 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 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 0.60 0.18 0.00 0.35 0.09 0.00 0.00 178.44 179.66 2x36 n THR 886 N -4.29 0.09 -0.64 0.22 -2.24 -1.26 -4.89 114.28 101.27 2x36 n THR 886 Ca -0.02 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2x36 n THR 886 Cb 0.25 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.80 0.81 3.73 3.38 0.00 -0.82 -4.95 105.19 108.14 2x36 n GLY 887 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2x36 n GLY 887 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x36 s LYS 888 N -0.36 4.17 -0.16 1.61 1.02 -1.26 -1.09 119.74 123.68 2x36 s LYS 888 Ca 0.00 2.48 -0.28 0.00 0.02 0.00 0.00 55.97 58.19 2x36 s LYS 888 Cb 0.00 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 2x36 s LYS 888 CO 0.00 -0.64 0.96 0.42 -0.92 0.00 0.00 175.35 175.17 2x36 s ILE 889 N 0.85 4.79 0.10 2.17 -1.09 -0.63 -0.76 121.20 126.64 2x36 s ILE 889 Ca 0.69 1.92 0.04 0.00 -2.23 0.00 0.00 60.65 61.07 2x36 s ILE 889 Cb -0.46 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.12 2x36 s ILE 889 CO 0.35 -0.04 0.08 -0.76 -1.23 0.00 0.00 174.94 173.35 2x36 s LEU 890 N 2.37 3.74 0.55 2.97 1.02 0.24 -4.71 118.68 124.86 2x36 s LEU 890 Ca 0.44 -0.07 -0.21 0.00 0.02 0.00 0.00 54.13 54.31 2x36 s LEU 890 Cb -0.17 -2.41 -0.05 0.00 0.02 0.00 0.00 46.19 43.59 2x36 s LEU 890 CO 0.13 0.14 1.30 -2.16 0.02 0.00 0.00 176.35 175.78 2x36 s PRO 891 N -2.57 3.13 0.24 1.29 0.04 -1.26 -2.73 135.00 133.14 2x36 s PRO 891 Ca 0.29 2.08 0.06 0.00 0.04 0.00 0.00 61.00 63.46 2x36 s PRO 891 Cb -0.11 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 2x36 s PRO 891 CO 0.22 -1.15 -0.06 0.14 0.04 0.00 0.00 177.00 176.19 2x36 s VAL 892 N -1.40 1.41 0.87 -0.36 -7.23 -1.26 -4.74 120.40 107.68 2x36 s VAL 892 Ca 0.73 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 2x36 s VAL 892 Cb -0.37 -2.29 0.17 0.00 0.56 0.00 0.00 36.38 34.45 2x36 s VAL 892 CO 0.42 -0.40 1.20 -0.83 -0.31 0.00 0.00 175.10 175.18 2x36 s GLY 893 N -3.35 1.76 -0.41 2.32 0.00 -1.26 -4.73 107.32 101.65 2x36 s GLY 893 Ca 0.27 -1.35 -0.01 0.00 0.00 0.00 0.00 44.72 43.63 2x36 s GLY 893 CO 0.09 -0.67 0.14 0.61 0.00 0.00 0.00 173.10 173.28 2x36 n GLY 894 N -3.41 0.34 0.17 0.20 0.00 -1.26 -4.91 105.19 96.31 2x36 n GLY 894 Ca 0.15 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.33 1.40 0.93 -0.61 1.08 -1.96 0.11 117.51 118.12 2x36 h ILE 895 Ca -0.14 -2.26 -0.05 0.00 -0.39 0.00 0.00 64.86 62.03 2x36 h ILE 895 Cb 1.10 2.21 0.01 0.00 -3.07 0.00 0.00 36.82 37.07 2x36 h ILE 895 CO 0.15 0.67 -0.44 0.50 -0.69 0.00 0.00 178.15 178.34 2x36 h LYS 896 N 0.25 -1.20 -0.88 2.37 3.64 -1.92 0.15 116.57 118.98 2x36 h LYS 896 Ca -0.04 0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2x36 h LYS 896 Cb 1.38 0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 33.42 2x36 h LYS 896 CO 0.13 -0.80 0.55 0.93 -2.27 0.00 0.00 179.45 178.00 2x36 h GLU 897 N -1.25 1.00 -0.38 1.90 3.07 -1.89 -0.37 114.58 116.66 2x36 h GLU 897 Ca -0.13 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.55 2x36 h GLU 897 Cb 0.95 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2x36 h GLU 897 CO 0.21 0.66 -0.25 0.87 -1.40 0.00 0.00 179.01 179.10 2x36 h LYS 898 N 1.03 0.77 -0.52 2.33 1.57 -1.00 -1.97 116.57 118.78 2x36 h LYS 898 Ca 0.37 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2x36 h LYS 898 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2x36 h LYS 898 CO -0.16 0.94 0.02 1.15 -0.57 0.00 0.00 179.45 180.84 2x36 h THR 899 N 0.67 1.26 -0.68 -0.16 2.02 0.90 -0.96 112.91 115.96 2x36 h THR 899 Ca 0.09 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.17 2x36 h THR 899 Cb 0.77 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2x36 h THR 899 CO 0.06 0.38 0.27 0.40 0.37 0.00 0.00 175.52 177.00 2x36 h ILE 900 N 0.78 1.24 -0.20 3.11 2.04 -1.21 -1.98 117.51 121.30 2x36 h ILE 900 Ca 0.15 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 65.28 2x36 h ILE 900 Cb 0.50 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2x36 h ILE 900 CO 0.02 0.30 0.07 0.00 0.00 0.00 0.00 178.15 178.54 2x36 h ALA 901 N 1.12 0.22 -0.60 1.87 0.00 -1.02 0.39 119.26 121.23 2x36 h ALA 901 Ca 0.23 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.27 2x36 h ALA 901 Cb 0.20 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 2x36 h ALA 901 CO -0.02 -0.36 0.14 0.00 0.00 0.00 0.00 179.25 179.01 2x36 h ALA 902 N 1.12 0.73 -0.18 0.00 0.00 -0.84 -1.41 119.26 118.68 2x36 h ALA 902 Ca 0.08 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 2x36 h ALA 902 Cb 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2x36 h ALA 902 CO -0.09 -0.29 -0.45 -0.22 0.00 0.00 0.00 179.25 178.20 2x36 h LYS 903 N 0.28 0.46 0.00 0.00 3.64 -0.66 -1.26 116.57 119.02 2x36 h LYS 903 Ca 0.32 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2x36 h LYS 903 Cb 0.46 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2x36 h LYS 903 CO -0.39 0.82 -0.29 0.00 -2.27 0.00 0.00 179.45 177.32 2x36 h ARG 904 N 0.37 0.00 -0.01 1.90 3.08 -0.34 -2.84 114.38 116.54 2x36 h ARG 904 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2x36 h ARG 904 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2x36 h ARG 904 CO 0.08 0.29 -0.19 0.00 -1.07 0.00 0.00 179.97 179.08 2x36 n ALA 905 N -2.26 2.94 -0.11 0.04 0.00 -0.59 -4.97 120.51 115.56 2x36 n ALA 905 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2x36 n ALA 905 Cb 0.46 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.30 0.94 3.79 0.00 0.00 -0.83 -5.05 105.19 105.33 2x36 n GLY 906 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 5.05 0.00 1.61 1.01 -0.55 -4.92 120.40 120.60 2x36 s VAL 907 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2x36 s VAL 907 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2x36 s VAL 907 CO 0.00 0.48 0.80 0.35 0.00 0.00 0.00 175.10 176.73 2x36 n THR 908 N 2.52 0.64 -3.69 3.92 -2.24 -1.26 -4.38 114.28 109.79 2x36 n THR 908 Ca -0.11 -0.69 -0.25 0.00 -2.27 0.00 0.00 64.05 60.73 2x36 n THR 908 Cb 0.52 0.71 -0.17 0.00 -2.10 0.00 0.00 70.33 69.29 2x36 n THR 908 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x36 s ILE 910 N 2.02 1.44 -0.21 0.00 -0.00 -0.40 -2.38 121.20 121.67 2x36 s ILE 910 Ca 0.02 -1.21 -0.03 0.00 -0.00 0.00 0.00 60.65 59.43 2x36 s ILE 910 Cb -0.15 -1.29 -0.01 0.00 -0.00 0.00 0.00 42.46 41.01 2x36 s ILE 910 CO -0.07 0.05 -0.06 -0.69 -0.00 0.00 0.00 174.94 174.17 2x36 s VAL 911 N -0.93 3.28 0.11 8.37 1.01 0.35 -0.52 120.40 132.08 2x36 s VAL 911 Ca 0.04 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.56 2x36 s VAL 911 Cb -0.09 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2x36 s VAL 911 CO 0.02 0.44 -0.15 -0.76 0.00 0.00 0.00 175.10 174.65 2x36 s LEU 912 N 1.36 2.36 0.42 3.92 1.43 0.02 -2.54 118.68 125.66 2x36 s LEU 912 Ca 0.04 -0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 52.14 2x36 s LEU 912 Cb -0.14 -0.61 -0.10 0.00 0.03 0.00 0.00 46.19 45.37 2x36 s LEU 912 CO -0.03 -0.09 1.29 -2.65 0.23 0.00 0.00 176.35 175.10 2x36 n PRO 913 N 0.76 1.97 -0.26 1.29 -0.02 -1.26 -0.68 135.00 136.81 2x36 n PRO 913 Ca -0.17 0.70 0.05 0.00 -2.02 0.00 0.00 63.50 62.06 2x36 n PRO 913 Cb 0.56 -2.41 0.17 0.00 -0.02 0.00 0.00 33.50 31.79 2x36 n PRO 913 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x36 h ALA 914 N 2.12 0.83 0.00 3.55 0.00 -0.40 -2.25 119.26 123.11 2x36 h ALA 914 Ca -0.48 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2x36 h ALA 914 Cb 1.29 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2x36 h ALA 914 CO 0.60 -0.42 0.00 0.39 0.00 0.00 0.00 179.25 179.82 2x36 n GLU 915 N -5.31 0.65 -0.17 0.00 1.02 -1.26 -1.31 120.64 114.26 2x36 n GLU 915 Ca 0.14 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 2x36 n GLU 915 Cb 0.48 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.63 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 -1.02 3.23 -0.10 1.62 5.03 -0.85 -4.40 115.26 118.78 2x36 n ASN 916 Ca 0.16 -1.96 -0.07 0.00 0.87 0.00 0.00 54.58 53.58 2x36 n ASN 916 Cb 0.08 -0.22 -0.00 0.00 -1.02 0.00 0.00 39.78 38.61 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 4.22 -0.18 -0.55 3.52 3.64 -1.28 -0.92 116.57 125.01 2x36 h LYS 917 Ca 0.00 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.50 2x36 h LYS 917 Cb 0.93 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.68 2x36 h LYS 917 CO 0.00 -0.12 -0.29 -0.22 -2.27 0.00 0.00 179.45 176.55 2x36 h LYS 918 N -0.19 -0.14 -0.87 1.90 1.63 -1.83 -1.31 116.57 115.77 2x36 h LYS 918 Ca 0.17 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 2x36 h LYS 918 Cb 0.46 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.08 2x36 h LYS 918 CO -0.46 -0.09 0.55 -0.44 -3.45 0.00 0.00 179.45 175.55 2x36 h ASP 919 N -0.15 1.03 -0.17 4.20 3.32 -1.49 -1.24 116.42 121.92 2x36 h ASP 919 Ca 0.24 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 2x36 h ASP 919 Cb 0.53 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2x36 h ASP 919 CO -0.64 0.77 0.02 0.15 -1.72 0.00 0.00 179.24 177.83 2x36 h PHE 920 N 1.19 0.30 0.00 4.55 3.57 -0.61 -3.05 116.94 122.89 2x36 h PHE 920 Ca 0.31 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.77 2x36 h PHE 920 Cb -0.08 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.57 2x36 h PHE 920 CO -0.00 0.45 0.00 0.66 -2.23 0.00 0.00 178.31 177.19 2x36 n TYR 921 N -4.77 0.64 0.86 0.41 4.01 -0.55 -2.14 117.16 115.61 2x36 n TYR 921 Ca -0.05 0.21 0.08 0.00 -0.16 0.00 0.00 57.90 57.98 2x36 n TYR 921 Cb 0.19 -0.83 0.45 0.00 -0.31 0.00 0.00 39.34 38.83 2x36 n TYR 921 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2x36 n ASP 922 N -2.04 0.00 -4.87 7.72 8.00 -0.52 -4.81 116.55 120.04 2x36 n ASP 922 Ca 0.05 -0.09 -0.31 0.00 0.71 0.00 0.00 54.79 55.15 2x36 n ASP 922 Cb 0.34 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 2x36 n ASP 922 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2x36 s LEU 923 N -2.44 3.48 0.37 0.64 1.43 -0.91 -5.01 118.68 116.23 2x36 s LEU 923 Ca 0.18 1.38 -0.28 0.00 -1.03 0.00 0.00 54.13 54.38 2x36 s LEU 923 Cb 0.11 -4.36 -0.11 0.00 0.03 0.00 0.00 46.19 41.86 2x36 s LEU 923 CO 0.24 -0.69 1.41 0.00 0.23 0.00 0.00 176.35 177.55 2x36 n ALA 924 N -2.13 1.98 0.26 4.21 0.00 -1.26 -4.84 120.51 118.72 2x36 n ALA 924 Ca 0.05 0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.95 2x36 n ALA 924 Cb 0.54 -2.36 0.75 0.00 0.00 0.00 0.00 19.45 18.38 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 2.78 1.85 -0.62 0.00 0.00 -1.95 -1.34 119.26 119.98 2x36 h ALA 925 Ca -0.49 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2x36 h ALA 925 Cb 1.26 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2x36 h ALA 925 CO 0.63 -0.05 0.39 0.35 0.00 0.00 0.00 179.25 180.57 2x36 h PHE 926 N 0.00 0.74 -0.13 0.00 3.57 -1.94 0.27 116.94 119.45 2x36 h PHE 926 Ca 0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2x36 h PHE 926 Cb 0.09 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 2x36 h PHE 926 CO 0.00 0.44 -0.02 0.82 -2.23 0.00 0.00 178.31 177.32 2x36 h ILE 927 N 0.79 1.28 -0.15 1.41 2.04 -1.63 -3.31 117.51 117.93 2x36 h ILE 927 Ca 0.24 -0.92 -0.17 0.00 1.00 0.00 0.00 64.86 65.01 2x36 h ILE 927 Cb -0.02 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2x36 h ILE 927 CO -0.09 0.27 -0.61 0.74 0.00 0.00 0.00 178.15 178.46 2x36 h THR 928 N -0.05 1.33 -2.52 -0.27 2.02 -1.29 -3.44 112.91 108.69 2x36 h THR 928 Ca 0.03 -1.90 -0.57 0.00 0.77 0.00 0.00 66.41 64.75 2x36 h THR 928 Cb 0.42 1.87 0.07 0.00 -1.74 0.00 0.00 68.15 68.77 2x36 h THR 928 CO 0.01 0.58 0.79 1.21 0.37 0.00 0.00 175.52 178.48 2x36 n GLU 929 N -3.93 2.26 0.00 6.66 2.13 0.94 -2.73 120.64 125.97 2x36 n GLU 929 Ca -0.04 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.59 2x36 n GLU 929 Cb 0.64 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.79 2x36 n GLU 929 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2x36 n GLY 930 N 3.05 2.99 3.67 8.31 0.00 -1.26 -4.99 105.19 116.95 2x36 n GLY 930 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 4.24 0.15 0.99 1.43 -1.11 -4.94 118.68 119.44 2x36 s LEU 931 Ca 0.00 1.88 -0.30 0.00 -1.03 0.00 0.00 54.13 54.68 2x36 s LEU 931 Cb 0.00 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.60 2x36 s LEU 931 CO 0.00 -0.77 1.20 -0.70 0.23 0.00 0.00 176.35 176.30 2x36 s GLU 932 N 3.34 4.48 -0.04 1.70 2.12 0.18 -4.98 118.70 125.50 2x36 s GLU 932 Ca 0.60 1.84 0.03 0.00 0.36 0.00 0.00 54.97 57.81 2x36 s GLU 932 Cb -0.26 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 30.86 2x36 s GLU 932 CO 0.20 -0.13 -0.12 0.08 -0.54 0.00 0.00 175.26 174.75 2x36 s VAL 933 N 0.25 1.07 -0.17 3.70 1.01 -1.26 -1.27 120.40 123.73 2x36 s VAL 933 Ca 0.54 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2x36 s VAL 933 Cb -0.32 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.14 2x36 s VAL 933 CO 0.34 0.32 -0.20 -1.00 0.00 0.00 0.00 175.10 174.57 2x36 s HIS 934 N 0.20 2.76 -0.23 5.22 3.76 0.33 -4.96 115.29 122.36 2x36 s HIS 934 Ca -0.05 -1.53 -0.19 0.00 -0.15 0.00 0.00 55.06 53.14 2x36 s HIS 934 Cb -0.11 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 2x36 s HIS 934 CO 0.01 -0.74 0.58 -0.06 -0.85 0.00 0.00 174.74 173.69 2x36 s PHE 935 N 1.15 3.32 0.10 1.40 0.08 -1.26 -0.80 117.98 121.98 2x36 s PHE 935 Ca 0.01 0.80 0.09 0.00 0.12 0.00 0.00 56.93 57.95 2x36 s PHE 935 Cb -0.14 -2.77 -0.04 0.00 -0.57 0.00 0.00 43.02 39.51 2x36 s PHE 935 CO -0.09 -0.23 -0.23 0.14 -0.10 0.00 0.00 175.22 174.71 2x36 s VAL 936 N 2.11 1.87 -0.09 -0.44 -7.23 0.14 -4.70 120.40 112.06 2x36 s VAL 936 Ca 0.25 -1.56 0.05 0.00 -1.81 0.00 0.00 61.98 58.92 2x36 s VAL 936 Cb -0.16 -1.67 -0.10 0.00 0.56 0.00 0.00 36.38 35.01 2x36 s VAL 936 CO 0.09 0.02 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.27 2x36 n GLU 937 N 1.14 1.81 -4.17 4.82 1.02 -1.26 0.33 120.64 124.33 2x36 n GLU 937 Ca -0.19 0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 56.80 2x36 n GLU 937 Cb 0.53 -1.22 -0.12 0.00 -0.02 0.00 0.00 31.44 30.61 2x36 n GLU 937 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2x36 s HIS 938 N -2.22 1.18 0.42 -0.32 5.04 -1.26 -1.60 115.29 116.53 2x36 s HIS 938 Ca -0.08 -0.51 0.10 0.00 -1.54 0.00 0.00 55.06 53.04 2x36 s HIS 938 Cb 0.03 -0.65 0.91 0.00 0.04 0.00 0.00 32.58 32.91 2x36 s HIS 938 CO 0.32 0.05 2.00 -0.92 -2.34 0.00 0.00 174.74 173.86 2x36 h TYR 939 N 4.07 0.25 -0.68 3.88 3.20 -1.45 -2.71 116.97 123.54 2x36 h TYR 939 Ca -0.40 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.55 2x36 h TYR 939 Cb 1.19 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.34 2x36 h TYR 939 CO 0.64 0.28 0.45 -0.09 -1.64 0.00 0.00 178.16 177.79 2x36 h ARG 940 N 0.25 0.53 -0.75 1.82 9.65 -1.97 0.62 114.38 124.53 2x36 h ARG 940 Ca 0.06 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 2x36 h ARG 940 Cb 0.19 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 2x36 h ARG 940 CO 0.00 0.35 0.33 0.93 2.80 0.00 0.00 179.97 184.39 2x36 h GLU 941 N 0.55 1.10 -0.35 0.20 5.08 -1.90 -1.68 114.58 117.59 2x36 h GLU 941 Ca 0.31 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2x36 h GLU 941 Cb 0.48 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2x36 h GLU 941 CO -0.10 0.88 0.14 0.82 -1.00 0.00 0.00 179.01 179.75 2x36 h ILE 942 N 1.07 1.18 -0.09 3.13 2.04 0.07 -2.87 117.51 122.05 2x36 h ILE 942 Ca 0.25 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.59 2x36 h ILE 942 Cb 0.16 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2x36 h ILE 942 CO -0.03 0.20 -0.17 0.15 0.00 0.00 0.00 178.15 178.30 2x36 h PHE 943 N 0.42 -0.45 0.00 1.37 3.04 -0.77 -0.33 116.94 120.22 2x36 h PHE 943 Ca 0.12 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 2x36 h PHE 943 Cb 0.18 0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.90 2x36 h PHE 943 CO -0.01 -0.25 -0.06 -0.44 -2.02 0.00 0.00 178.31 175.54 2x36 h ASP 944 N -0.24 0.00 0.03 0.41 3.32 -1.23 -0.18 116.42 118.54 2x36 h ASP 944 Ca 0.08 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2x36 h ASP 944 Cb 0.36 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2x36 h ASP 944 CO -0.23 0.06 -0.22 0.40 -1.72 0.00 0.00 179.24 177.53 2x36 h ILE 945 N 0.00 1.68 0.00 0.35 2.04 -1.12 -3.22 117.51 117.24 2x36 h ILE 945 Ca -0.00 -2.29 -0.09 0.00 1.00 0.00 0.00 64.86 63.48 2x36 h ILE 945 Cb 0.12 3.22 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 2x36 h ILE 945 CO 0.01 0.61 -0.44 0.00 0.00 0.00 0.00 178.15 178.33 2x36 h ALA 946 N 0.08 0.97 -2.35 1.87 0.00 -0.64 -3.33 119.26 115.85 2x36 h ALA 946 Ca -0.04 -0.40 -0.59 0.00 0.00 0.00 0.00 54.91 53.88 2x36 h ALA 946 Cb 1.12 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.44 2x36 h ALA 946 CO 0.04 0.55 -0.76 1.19 0.00 0.00 0.00 179.25 180.27 2x36 n PHE 947 N -3.57 2.08 0.30 0.00 3.72 -0.12 -2.47 117.46 117.41 2x36 n PHE 947 Ca -0.00 -3.95 0.02 0.00 -0.05 0.00 0.00 57.45 53.47 2x36 n PHE 947 Cb 0.55 -0.43 0.14 0.00 -0.94 0.00 0.00 39.48 38.80 2x36 n PHE 947 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36