#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x36 s TYR 757 N 0.00 2.05 -0.25 1.12 1.51 -1.26 -5.02 117.35 115.50 2x36 s TYR 757 Ca 0.00 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 2x36 s TYR 757 Cb 0.00 -1.11 -0.14 0.00 -0.11 0.00 0.00 41.96 40.60 2x36 s TYR 757 CO 0.00 0.28 -0.25 -0.25 -1.11 0.00 0.00 175.55 174.21 2x36 n ASP 758 N 0.98 2.03 -4.37 2.29 9.92 -1.26 -4.88 116.55 121.27 2x36 n ASP 758 Ca -0.19 0.01 -0.33 0.00 -0.53 0.00 0.00 54.79 53.75 2x36 n ASP 758 Cb 0.53 -0.50 -0.14 0.00 -0.64 0.00 0.00 41.12 40.37 2x36 n ASP 758 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x36 s VAL 759 N -2.48 3.15 0.00 2.53 1.01 -1.26 -4.71 120.40 118.64 2x36 s VAL 759 Ca -0.33 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 2x36 s VAL 759 Cb 0.10 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 2x36 s VAL 759 CO 0.52 0.51 0.49 0.42 0.00 0.00 0.00 175.10 177.04 2x36 s THR 760 N 0.52 4.95 0.65 3.92 -4.23 -1.26 -5.07 115.64 115.12 2x36 s THR 760 Ca -0.08 1.02 -0.11 0.00 -1.18 0.00 0.00 61.69 61.34 2x36 s THR 760 Cb -0.15 -3.81 0.15 0.00 1.34 0.00 0.00 72.50 70.03 2x36 s THR 760 CO 0.04 0.51 0.86 -0.81 -0.54 0.00 0.00 174.62 174.68 2x36 n PRO 761 N 2.20 -0.95 -1.32 3.99 -0.04 -1.26 -4.65 135.00 132.97 2x36 n PRO 761 Ca -0.11 -1.33 -0.31 0.00 -0.04 0.00 0.00 63.50 61.71 2x36 n PRO 761 Cb 0.52 -0.91 0.08 0.00 -0.04 0.00 0.00 33.50 33.15 2x36 n PRO 761 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2x36 s PRO 762 N -4.89 2.39 0.00 0.54 0.02 -1.26 -3.57 135.00 128.23 2x36 s PRO 762 Ca 0.49 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.64 2x36 s PRO 762 Cb -0.01 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.59 2x36 s PRO 762 CO 0.35 -1.54 0.00 0.41 -0.33 0.00 0.00 177.00 175.89 2x36 n GLY 763 N -1.36 0.51 3.03 0.52 0.00 -1.26 -4.80 105.19 101.84 2x36 n GLY 763 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.39 1.38 -0.01 1.61 1.01 -1.23 -0.48 120.40 120.29 2x36 s VAL 764 Ca 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2x36 s VAL 764 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2x36 s VAL 764 CO 0.00 0.42 -0.02 -0.69 0.00 0.00 0.00 175.10 174.81 2x36 s VAL 765 N 1.06 0.15 -0.10 2.92 1.01 -0.05 -4.72 120.40 120.68 2x36 s VAL 765 Ca -0.06 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 2x36 s VAL 765 Cb -0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2x36 s VAL 765 CO -0.02 0.06 1.25 -0.04 0.00 0.00 0.00 175.10 176.35 2x36 s MET 766 N 0.10 4.29 0.07 2.72 -1.94 -1.26 -0.05 119.30 123.24 2x36 s MET 766 Ca -0.01 1.70 0.07 0.00 -1.71 0.00 0.00 55.69 55.74 2x36 s MET 766 Cb -0.03 -3.66 -0.03 0.00 2.01 0.00 0.00 34.83 33.13 2x36 s MET 766 CO -0.00 -0.58 -0.18 0.20 -0.01 0.00 0.00 175.02 174.45 2x36 s GLY 767 N 1.76 1.05 -0.21 -0.03 0.00 0.76 -3.54 107.32 107.11 2x36 s GLY 767 Ca 0.56 -1.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.15 2x36 s GLY 767 CO 0.19 -1.06 0.02 1.08 0.00 0.00 0.00 173.10 173.34 2x36 s LEU 768 N -1.56 3.34 0.10 0.66 1.43 -0.71 0.18 118.68 122.13 2x36 s LEU 768 Ca 0.04 -0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 2x36 s LEU 768 Cb -0.09 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2x36 s LEU 768 CO 0.03 0.04 -0.18 0.00 0.23 0.00 0.00 176.35 176.47 2x36 s ALA 769 N 1.14 2.68 -0.43 4.21 0.00 0.10 -4.79 121.76 124.67 2x36 s ALA 769 Ca 0.03 -1.32 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 2x36 s ALA 769 Cb -0.14 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.33 2x36 s ALA 769 CO 0.02 0.59 0.40 -0.46 0.00 0.00 0.00 175.76 176.32 2x36 s TRP 770 N -1.11 3.19 0.47 0.00 -0.00 -1.26 -2.50 118.94 117.73 2x36 s TRP 770 Ca 0.18 -0.55 0.07 0.00 -0.00 0.00 0.00 56.10 55.80 2x36 s TRP 770 Cb -0.11 -2.90 0.01 0.00 -0.00 0.00 0.00 33.47 30.48 2x36 s TRP 770 CO 0.09 -0.71 0.47 0.95 -0.00 0.00 0.00 176.95 177.75 2x36 s THR 771 N 1.95 2.35 0.15 5.86 -4.23 -0.29 -0.61 115.64 120.82 2x36 s THR 771 Ca 0.09 -1.30 -0.22 0.00 -1.18 0.00 0.00 61.69 59.08 2x36 s THR 771 Cb -0.19 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.02 2x36 s THR 771 CO 0.11 0.00 1.64 0.00 -0.54 0.00 0.00 174.62 175.83 2x36 h ALA 772 N 0.79 -0.12 0.00 3.99 0.00 -1.93 -2.82 119.26 119.18 2x36 h ALA 772 Ca -0.38 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2x36 h ALA 772 Cb 1.28 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2x36 h ALA 772 CO 0.54 -0.66 -0.41 0.52 0.00 0.00 0.00 179.25 179.24 2x36 h MET 773 N -0.24 0.00 0.00 0.00 2.86 -1.95 -3.49 114.93 112.11 2x36 h MET 773 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2x36 h MET 773 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2x36 h MET 773 CO -0.36 0.41 0.00 0.41 1.06 0.00 0.00 176.91 178.43 2x36 n GLY 774 N 0.29 -0.54 3.51 8.32 0.00 -1.06 -5.13 105.19 110.57 2x36 n GLY 774 Ca -0.00 0.25 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 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 2.13 -0.20 -0.02 0.00 -1.26 -1.13 107.32 106.84 2x36 s GLY 775 Ca 0.00 -2.07 -0.21 0.00 0.00 0.00 0.00 44.72 42.43 2x36 s GLY 775 CO 0.00 -1.97 0.59 -0.56 0.00 0.00 0.00 173.10 171.16 2x36 s SER 776 N -3.57 -0.61 -0.14 1.64 0.01 -1.04 -4.79 113.70 105.20 2x36 s SER 776 Ca 0.32 1.12 -0.17 0.00 1.31 0.00 0.00 55.95 58.53 2x36 s SER 776 Cb 0.05 1.13 -0.04 0.00 0.21 0.00 0.00 66.02 67.36 2x36 s SER 776 CO 0.15 -0.25 0.45 0.42 0.41 0.00 0.00 173.24 174.42 2x36 s THR 777 N 0.13 5.20 0.01 1.44 -4.23 -1.26 -0.73 115.64 116.21 2x36 s THR 777 Ca -0.01 0.87 0.07 0.00 -1.18 0.00 0.00 61.69 61.44 2x36 s THR 777 Cb -0.04 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 2x36 s THR 777 CO 0.02 0.32 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.44 2x36 s LEU 778 N 0.74 2.41 -0.30 4.79 1.02 0.13 -4.96 118.68 122.50 2x36 s LEU 778 Ca 0.24 -0.44 -0.14 0.00 0.02 0.00 0.00 54.13 53.81 2x36 s LEU 778 Cb -0.15 -1.43 -0.03 0.00 0.02 0.00 0.00 46.19 44.60 2x36 s LEU 778 CO 0.09 0.28 0.32 -0.36 0.02 0.00 0.00 176.35 176.70 2x36 s PHE 779 N -0.80 3.23 0.10 0.29 0.08 -1.26 -0.17 117.98 119.45 2x36 s PHE 779 Ca 0.12 0.17 -0.29 0.00 0.12 0.00 0.00 56.93 57.05 2x36 s PHE 779 Cb -0.10 -2.55 -0.06 0.00 -0.57 0.00 0.00 43.02 39.74 2x36 s PHE 779 CO 0.02 -0.28 0.94 0.08 -0.10 0.00 0.00 175.22 175.88 2x36 s VAL 780 N 1.96 4.53 0.04 -0.44 1.01 0.93 -4.50 120.40 123.93 2x36 s VAL 780 Ca 0.12 2.02 0.07 0.00 0.00 0.00 0.00 61.98 64.18 2x36 s VAL 780 Cb -0.16 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 2x36 s VAL 780 CO 0.11 0.32 -0.21 -1.61 0.00 0.00 0.00 175.10 173.71 2x36 s GLU 781 N -0.00 1.45 0.03 2.72 2.02 -1.01 -0.87 118.70 123.05 2x36 s GLU 781 Ca 0.46 -0.94 0.03 0.00 0.02 0.00 0.00 54.97 54.54 2x36 s GLU 781 Cb -0.23 -1.56 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 2x36 s GLU 781 CO 0.29 0.40 -0.09 0.95 0.02 0.00 0.00 175.26 176.83 2x36 s THR 782 N -0.77 0.70 0.13 3.63 -4.23 0.37 -0.39 115.64 115.08 2x36 s THR 782 Ca 0.08 -0.91 -0.25 0.00 -1.18 0.00 0.00 61.69 59.43 2x36 s THR 782 Cb -0.09 -0.69 0.07 0.00 1.34 0.00 0.00 72.50 73.13 2x36 s THR 782 CO 0.02 -0.18 0.83 -0.94 -0.54 0.00 0.00 174.62 173.81 2x36 s SER 783 N -1.20 -0.32 0.61 3.99 1.04 -0.75 -4.73 113.70 112.34 2x36 s SER 783 Ca -0.04 -0.24 -0.15 0.00 0.48 0.00 0.00 55.95 56.00 2x36 s SER 783 Cb -0.08 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 2x36 s SER 783 CO 0.01 -0.91 1.06 -0.76 0.98 0.00 0.00 173.24 173.62 2x36 s LEU 784 N -2.76 3.44 0.00 2.42 1.43 -1.26 -0.30 118.68 121.64 2x36 s LEU 784 Ca 0.08 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 2x36 s LEU 784 Cb -0.02 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.67 2x36 s LEU 784 CO -0.03 -1.24 0.08 -2.11 0.23 0.00 0.00 176.35 173.28 2x36 n ARG 785 N -2.22 1.96 -4.08 1.70 1.85 -0.49 -4.76 116.66 110.62 2x36 n ARG 785 Ca 0.09 -0.08 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 2x36 n ARG 785 Cb 0.53 -0.42 -0.10 0.00 -1.05 0.00 0.00 32.46 31.42 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 -0.30 0.58 0.37 2.89 0.52 -1.25 -5.09 118.95 116.66 2x36 s ARG 786 Ca 0.00 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 54.11 2x36 s ARG 786 Cb 0.00 0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.60 2x36 s ARG 786 CO 0.00 -0.09 0.55 -1.25 0.02 0.00 0.00 175.30 174.54 2x36 s PRO 787 N -3.46 3.25 2.83 3.54 0.04 -1.26 -4.65 135.00 135.28 2x36 s PRO 787 Ca 0.03 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.49 2x36 s PRO 787 Cb 0.04 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.90 2x36 s PRO 787 CO -0.08 0.01 0.00 0.00 0.04 0.00 0.00 177.00 176.97 2x36 n GLN 788 N -1.82 0.00 -1.62 4.56 -0.00 -1.26 -4.93 117.38 112.30 2x36 n GLN 788 Ca -0.02 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.57 2x36 n GLN 788 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 30.24 30.82 2x36 n GLN 788 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2x36 n ASP 797 N 4.64 1.46 -4.01 2.61 10.43 -1.26 -4.69 116.55 125.73 2x36 n ASP 797 Ca 0.00 1.05 -0.30 0.00 2.57 0.00 0.00 54.79 58.11 2x36 n ASP 797 Cb 0.00 -1.37 0.22 0.00 1.84 0.00 0.00 41.12 41.80 2x36 n ASP 797 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2x36 s GLY 798 N -0.71 1.62 0.24 0.44 0.00 0.88 -4.86 107.32 104.94 2x36 s GLY 798 Ca 0.63 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 44.24 2x36 s GLY 798 CO 0.57 -0.11 0.59 -1.35 0.00 0.00 0.00 173.10 172.80 2x36 s SER 799 N -4.08 -0.24 -0.08 1.64 1.04 0.15 -4.93 113.70 107.21 2x36 s SER 799 Ca 0.71 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 56.53 2x36 s SER 799 Cb -0.09 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.69 2x36 s SER 799 CO 0.55 -1.19 -0.09 -0.22 0.98 0.00 0.00 173.24 173.27 2x36 s LEU 800 N -2.92 1.40 -0.09 2.42 2.96 -1.26 -0.95 118.68 120.25 2x36 s LEU 800 Ca 0.13 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 2x36 s LEU 800 Cb -0.03 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 2x36 s LEU 800 CO 0.03 -0.04 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.30 2x36 s GLU 801 N 1.16 3.00 -0.06 1.98 2.12 0.40 -4.96 118.70 122.34 2x36 s GLU 801 Ca -0.05 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 54.86 2x36 s GLU 801 Cb -0.14 -2.75 -0.00 0.00 0.26 0.00 0.00 34.13 31.50 2x36 s GLU 801 CO -0.02 0.64 -0.19 0.08 -0.54 0.00 0.00 175.26 175.23 2x36 s VAL 802 N -0.72 1.61 0.24 3.70 1.01 -1.26 0.13 120.40 125.11 2x36 s VAL 802 Ca 0.11 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2x36 s VAL 802 Cb -0.12 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 2x36 s VAL 802 CO 0.02 0.46 0.02 0.42 0.00 0.00 0.00 175.10 176.02 2x36 s THR 803 N 0.20 0.95 0.00 3.92 -4.23 0.28 -4.93 115.64 111.83 2x36 s THR 803 Ca -0.09 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 2x36 s THR 803 Cb -0.14 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.28 2x36 s THR 803 CO 0.04 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 2x36 n GLY 804 N -0.44 -0.19 3.08 3.99 0.00 -1.25 -0.44 105.19 109.94 2x36 n GLY 804 Ca -0.04 0.00 -0.14 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 -3.09 -3.47 1.61 -0.06 -1.26 -4.62 117.38 106.50 2x36 n GLN 805 Ca 0.00 0.76 -0.38 0.00 -2.00 0.00 0.00 57.00 55.39 2x36 n GLN 805 Cb 0.00 -5.38 -0.06 0.00 -4.06 0.00 0.00 30.24 20.74 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 -5.32 4.42 1.03 1.69 1.43 -1.26 -5.08 118.68 115.59 2x36 s LEU 806 Ca 0.29 0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 54.14 2x36 s LEU 806 Cb -0.04 -2.59 0.21 0.00 0.03 0.00 0.00 46.19 43.80 2x36 s LEU 806 CO 0.65 0.25 1.17 -0.83 0.23 0.00 0.00 176.35 177.82 2x36 s GLY 807 N -0.65 1.62 0.36 -3.19 0.00 -1.26 -4.80 107.32 99.40 2x36 s GLY 807 Ca 0.24 -0.82 0.06 0.00 0.00 0.00 0.00 44.72 44.20 2x36 s GLY 807 CO 0.12 -0.09 1.90 -2.09 0.00 0.00 0.00 173.10 172.94 2x36 h GLU 808 N -1.95 0.42 -0.44 2.90 4.57 -1.98 -1.80 114.58 116.30 2x36 h GLU 808 Ca -0.48 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 57.59 2x36 h GLU 808 Cb 1.30 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 2x36 h GLU 808 CO 0.46 0.48 0.19 0.28 -1.18 0.00 0.00 179.01 179.25 2x36 h VAL 809 N 0.41 1.19 -0.26 0.32 2.07 -1.99 0.64 116.25 118.64 2x36 h VAL 809 Ca 0.09 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 66.93 2x36 h VAL 809 Cb 0.33 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2x36 h VAL 809 CO 0.01 0.22 -0.28 -0.03 0.02 0.00 0.00 177.57 177.51 2x36 h MET 810 N 0.57 0.52 -0.82 1.57 1.85 -1.82 0.64 114.93 117.44 2x36 h MET 810 Ca 0.15 -0.21 -0.03 0.00 -0.61 0.00 0.00 59.70 59.00 2x36 h MET 810 Cb 0.16 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.13 2x36 h MET 810 CO -0.02 0.74 0.39 0.87 -0.40 0.00 0.00 176.91 178.50 2x36 h LYS 811 N 0.45 1.18 -0.16 0.39 1.57 -0.82 -1.31 116.57 117.87 2x36 h LYS 811 Ca 0.06 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 2x36 h LYS 811 Cb 0.71 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2x36 h LYS 811 CO 0.05 0.91 -0.55 1.49 -0.57 0.00 0.00 179.45 180.79 2x36 h GLU 812 N 1.17 0.48 -0.95 3.15 4.57 0.39 -2.84 114.58 120.54 2x36 h GLU 812 Ca 0.28 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2x36 h GLU 812 Cb 0.12 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.70 2x36 h GLU 812 CO -0.04 0.90 0.61 1.03 -1.18 0.00 0.00 179.01 180.33 2x36 h SER 813 N 0.37 1.12 -0.51 1.04 0.87 0.13 -0.43 113.55 116.13 2x36 h SER 813 Ca 0.01 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 2x36 h SER 813 Cb 1.07 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 2x36 h SER 813 CO 0.10 0.83 0.04 0.00 -0.53 0.00 0.00 176.83 177.27 2x36 h ALA 814 N 1.36 1.01 -0.72 6.23 0.00 -1.11 -2.40 119.26 123.63 2x36 h ALA 814 Ca 0.35 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2x36 h ALA 814 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 2x36 h ALA 814 CO -0.07 0.62 0.36 0.00 0.00 0.00 0.00 179.25 180.15 2x36 h ARG 815 N 0.87 1.02 -0.49 0.00 3.08 -1.09 -0.70 114.38 117.06 2x36 h ARG 815 Ca 0.17 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2x36 h ARG 815 Cb 0.46 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2x36 h ARG 815 CO 0.02 0.78 0.28 0.82 -1.07 0.00 0.00 179.97 180.80 2x36 h ILE 816 N 1.02 1.17 -0.48 2.04 2.04 -0.61 -1.08 117.51 121.61 2x36 h ILE 816 Ca 0.25 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2x36 h ILE 816 Cb 0.09 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2x36 h ILE 816 CO -0.03 0.17 0.01 0.00 0.00 0.00 0.00 178.15 178.30 2x36 h ALA 817 N 1.12 0.65 0.53 1.87 0.00 -1.22 -1.86 119.26 120.35 2x36 h ALA 817 Ca 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2x36 h ALA 817 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2x36 h ALA 817 CO -0.03 0.44 -0.38 -0.92 0.00 0.00 0.00 179.25 178.36 2x36 h TYR 818 N 0.70 -1.02 -0.51 0.00 -0.00 -0.88 0.66 116.97 115.93 2x36 h TYR 818 Ca 0.14 -0.00 0.09 0.00 -0.00 0.00 0.00 58.73 58.95 2x36 h TYR 818 Cb 0.49 0.37 -0.07 0.00 -0.00 0.00 0.00 36.73 37.52 2x36 h TYR 818 CO 0.04 -0.56 0.09 1.15 -0.00 0.00 0.00 178.16 178.88 2x36 h THR 819 N -0.88 0.70 -0.41 1.81 2.02 -1.11 0.76 112.91 115.80 2x36 h THR 819 Ca -0.06 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 2x36 h THR 819 Cb 0.74 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2x36 h THR 819 CO 0.03 0.04 0.01 0.15 0.37 0.00 0.00 175.52 176.11 2x36 h PHE 820 N 0.23 0.78 -0.78 3.16 3.04 -1.14 -1.08 116.94 121.14 2x36 h PHE 820 Ca 0.26 -0.13 0.05 0.00 3.98 0.00 0.00 57.97 62.12 2x36 h PHE 820 Cb 0.35 -0.20 -0.05 0.00 2.56 0.00 0.00 35.95 38.60 2x36 h PHE 820 CO -0.24 0.78 0.48 0.00 -2.02 0.00 0.00 178.31 177.32 2x36 h ALA 821 N 0.89 1.05 -0.68 2.41 0.00 0.81 -0.38 119.26 123.36 2x36 h ALA 821 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2x36 h ALA 821 Cb 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2x36 h ALA 821 CO 0.02 0.24 0.29 0.00 0.00 0.00 0.00 179.25 179.81 2x36 h ARG 822 N 0.91 1.00 -0.41 0.00 3.08 -0.65 -2.66 114.38 115.64 2x36 h ARG 822 Ca 0.33 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 2x36 h ARG 822 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2x36 h ARG 822 CO -0.14 0.81 0.01 0.00 -1.07 0.00 0.00 179.97 179.58 2x36 h ALA 823 N 1.13 1.25 0.00 0.04 0.00 -0.51 -2.75 119.26 118.42 2x36 h ALA 823 Ca 0.23 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2x36 h ALA 823 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2x36 h ALA 823 CO -0.02 0.50 -0.55 0.35 0.00 0.00 0.00 179.25 179.53 2x36 h PHE 824 N 0.62 0.00 0.16 0.00 3.04 -0.82 -3.15 116.94 116.80 2x36 h PHE 824 Ca 0.13 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.79 2x36 h PHE 824 Cb 0.38 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.90 2x36 h PHE 824 CO 0.02 0.55 -1.41 1.25 -2.02 0.00 0.00 178.31 176.70 2x36 h LEU 825 N 0.00 0.54 -0.99 0.59 5.85 -1.20 -1.00 115.31 119.11 2x36 h LEU 825 Ca -0.01 -0.91 0.30 0.00 0.84 0.00 0.00 57.88 58.10 2x36 h LEU 825 Cb 1.16 -0.18 -0.14 0.00 0.37 0.00 0.00 40.66 41.87 2x36 h LEU 825 CO 0.07 1.64 0.53 0.24 -0.34 0.00 0.00 178.44 180.59 2x36 h MET 826 N -0.13 0.35 0.06 1.25 2.86 -1.54 0.32 114.93 118.10 2x36 h MET 826 Ca -0.28 -0.02 -0.20 0.00 -2.06 0.00 0.00 59.70 57.14 2x36 h MET 826 Cb 1.90 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.47 2x36 h MET 826 CO 0.15 0.23 -1.03 0.37 1.06 0.00 0.00 176.91 177.69 2x36 h GLN 827 N 0.36 0.12 -0.40 1.72 4.15 -1.54 -3.23 115.11 116.30 2x36 h GLN 827 Ca 0.69 -0.20 -0.09 0.00 0.77 0.00 0.00 58.65 59.82 2x36 h GLN 827 Cb 1.52 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.26 2x36 h GLN 827 CO -0.59 1.10 -0.11 1.25 -1.93 0.00 0.00 178.83 178.55 2x36 h HIS 828 N -0.67 0.76 -2.13 3.99 2.76 -0.73 -3.37 115.15 115.77 2x36 h HIS 828 Ca -0.24 -0.13 -0.55 0.00 -2.20 0.00 0.00 60.37 57.24 2x36 h HIS 828 Cb 1.45 -0.20 -0.37 0.00 1.55 0.00 0.00 27.41 29.84 2x36 h HIS 828 CO 0.15 0.78 -0.99 0.00 -1.30 0.00 0.00 177.93 176.57 2x36 n ALA 829 N -2.48 2.43 0.24 5.26 0.00 0.11 -4.99 120.51 121.07 2x36 n ALA 829 Ca 0.01 -3.08 0.07 0.00 0.00 0.00 0.00 53.44 50.44 2x36 n ALA 829 Cb 0.35 -0.81 0.35 0.00 0.00 0.00 0.00 19.45 19.34 2x36 n ALA 829 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2x36 n PRO 830 N 2.32 0.09 0.07 0.00 -0.02 -1.22 -0.27 135.00 135.97 2x36 n PRO 830 Ca 0.26 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 2x36 n PRO 830 Cb 0.50 -1.72 0.27 0.00 -0.02 0.00 0.00 33.50 32.53 2x36 n PRO 830 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x36 n ALA 831 N -1.65 2.72 -2.52 3.55 0.00 -1.26 -4.83 120.51 116.52 2x36 n ALA 831 Ca 0.01 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 2x36 n ALA 831 Cb 0.10 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.19 2x36 n ALA 831 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2x36 s ASN 832 N -4.22 6.28 0.00 0.00 3.84 0.63 -4.87 114.94 116.59 2x36 s ASN 832 Ca 0.08 -0.36 0.24 0.00 0.21 0.00 0.00 52.86 53.03 2x36 s ASN 832 Cb 0.13 -2.27 0.52 0.00 -0.55 0.00 0.00 41.25 39.08 2x36 s ASN 832 CO 0.67 -0.62 1.44 -0.90 -2.79 0.00 0.00 177.10 174.90 2x36 n ASP 833 N 5.88 2.69 -0.35 -4.21 5.75 -1.26 -4.64 116.55 120.41 2x36 n ASP 833 Ca -0.04 -1.87 0.24 0.00 -0.01 0.00 0.00 54.79 53.10 2x36 n ASP 833 Cb 0.48 -0.12 0.48 0.00 -1.03 0.00 0.00 41.12 40.94 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 3.76 0.83 0.19 2.11 3.20 -1.89 -0.04 116.97 125.13 2x36 h TYR 834 Ca 0.00 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.59 2x36 h TYR 834 Cb 0.82 -0.23 0.02 0.00 1.54 0.00 0.00 36.73 38.88 2x36 h TYR 834 CO 0.12 -0.05 -1.37 -0.07 -1.64 0.00 0.00 178.16 175.15 2x36 h LEU 835 N 0.38 0.67 -1.10 2.82 4.07 -1.92 -2.46 115.31 117.77 2x36 h LEU 835 Ca 0.69 -0.71 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 2x36 h LEU 835 Cb 1.63 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 43.14 2x36 h LEU 835 CO -0.46 1.55 -0.08 0.58 -1.08 0.00 0.00 178.44 178.94 2x36 h VAL 836 N 0.12 1.22 0.00 1.22 2.07 -1.39 -3.34 116.25 116.16 2x36 h VAL 836 Ca -0.20 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 2x36 h VAL 836 Cb 2.07 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 2x36 h VAL 836 CO 0.24 0.32 -1.87 0.35 0.02 0.00 0.00 177.57 176.63 2x36 n THR 837 N -4.22 0.23 -2.31 2.57 -2.24 -0.46 -0.08 114.28 107.77 2x36 n THR 837 Ca 0.01 -0.54 -0.28 0.00 -2.27 0.00 0.00 64.05 60.97 2x36 n THR 837 Cb 0.30 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.45 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 -4.75 5.79 -0.30 3.42 0.01 -0.93 -3.47 113.70 113.47 2x36 s SER 838 Ca -0.07 0.91 0.02 0.00 1.31 0.00 0.00 55.95 58.11 2x36 s SER 838 Cb 0.13 -1.95 0.07 0.00 0.21 0.00 0.00 66.02 64.48 2x36 s SER 838 CO 0.88 -0.98 -0.02 -1.00 0.41 0.00 0.00 173.24 172.53 2x36 s HIS 839 N -3.01 3.42 0.15 2.43 3.76 -1.26 0.33 115.29 121.11 2x36 s HIS 839 Ca 0.53 -2.43 0.10 0.00 -0.15 0.00 0.00 55.06 53.12 2x36 s HIS 839 Cb -0.11 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 2x36 s HIS 839 CO 0.47 -0.89 -0.22 0.42 -0.85 0.00 0.00 174.74 173.67 2x36 s ILE 840 N 1.08 2.50 -0.06 0.60 1.01 -0.12 -1.39 121.20 124.82 2x36 s ILE 840 Ca -0.02 -1.78 0.03 0.00 0.00 0.00 0.00 60.65 58.88 2x36 s ILE 840 Cb -0.20 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2x36 s ILE 840 CO -0.05 0.01 -0.12 -2.28 0.00 0.00 0.00 174.94 172.50 2x36 s HIS 841 N -1.33 2.77 -0.12 3.97 5.65 0.59 -0.45 115.29 126.37 2x36 s HIS 841 Ca 0.18 -0.11 0.02 0.00 0.25 0.00 0.00 55.06 55.40 2x36 s HIS 841 Cb -0.09 -1.66 0.02 0.00 -1.18 0.00 0.00 32.58 29.67 2x36 s HIS 841 CO 0.09 0.22 -0.16 -1.17 -0.65 0.00 0.00 174.74 173.07 2x36 s LEU 842 N -0.74 1.80 -0.23 8.88 2.96 0.34 -1.82 118.68 129.88 2x36 s LEU 842 Ca 0.11 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2x36 s LEU 842 Cb -0.11 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.38 2x36 s LEU 842 CO 0.01 0.02 0.02 -2.28 -1.32 0.00 0.00 176.35 172.79 2x36 s HIS 843 N 1.04 3.03 -0.40 5.38 5.65 0.48 -0.56 115.29 129.90 2x36 s HIS 843 Ca -0.05 -0.63 -0.09 0.00 0.25 0.00 0.00 55.06 54.55 2x36 s HIS 843 Cb -0.15 -2.16 0.07 0.00 -1.18 0.00 0.00 32.58 29.16 2x36 s HIS 843 CO -0.03 -0.41 0.24 0.08 -0.65 0.00 0.00 174.74 173.96 2x36 s VAL 844 N 1.46 4.23 0.72 0.89 1.01 0.42 -2.39 120.40 126.74 2x36 s VAL 844 Ca 0.05 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 2x36 s VAL 844 Cb -0.15 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.72 2x36 s VAL 844 CO 0.01 -0.43 1.08 -2.16 0.00 0.00 0.00 175.10 173.60 2x36 s PRO 845 N 1.44 2.61 0.53 2.72 0.04 -1.26 -3.95 135.00 137.14 2x36 s PRO 845 Ca 0.02 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.05 2x36 s PRO 845 Cb -0.22 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 2x36 s PRO 845 CO 0.03 -1.37 0.99 -2.00 0.04 0.00 0.00 177.00 174.69 2x36 s GLU 846 N -4.76 3.87 0.00 4.56 2.12 -1.26 -4.74 118.70 118.48 2x36 s GLU 846 Ca 0.61 0.89 0.00 0.00 0.36 0.00 0.00 54.97 56.83 2x36 s GLU 846 Cb -0.17 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.09 2x36 s GLU 846 CO 0.52 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 2x36 n GLY 847 N -1.82 0.31 3.77 -1.50 0.00 -1.26 -5.06 105.19 99.63 2x36 n GLY 847 Ca 0.06 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 2.85 0.96 4.61 0.00 -1.26 -4.36 121.76 124.55 2x36 s ALA 848 Ca 0.00 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 2x36 s ALA 848 Cb 0.00 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.80 2x36 s ALA 848 CO 0.00 -0.79 0.59 0.25 0.00 0.00 0.00 175.76 175.81 2x36 n THR 849 N -0.85 0.00 -0.33 0.00 -2.24 0.22 -4.79 114.28 106.29 2x36 n THR 849 Ca 0.09 -0.15 0.21 0.00 -2.27 0.00 0.00 64.05 61.93 2x36 n THR 849 Cb 0.49 -0.73 0.46 0.00 -2.10 0.00 0.00 70.33 68.45 2x36 n THR 849 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2x36 h PRO 850 N -1.71 0.46 -0.13 -0.78 0.11 -1.94 -1.55 132.00 126.47 2x36 h PRO 850 Ca -0.44 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 2x36 h PRO 850 Cb 1.28 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2x36 h PRO 850 CO 0.37 0.30 -0.34 0.87 -0.21 0.00 0.00 178.00 178.99 2x36 h LYS 851 N 0.47 0.26 -0.00 1.05 1.79 -1.95 -3.23 116.57 114.97 2x36 h LYS 851 Ca 0.61 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 2x36 h LYS 851 Cb 1.39 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 2x36 h LYS 851 CO -0.36 0.58 -0.61 -3.47 -1.08 0.00 0.00 179.45 174.50 2x36 n ASP 852 N -4.08 0.66 -0.23 0.86 2.03 -0.62 -4.44 116.55 110.72 2x36 n ASP 852 Ca -0.01 -0.47 -0.00 0.00 0.52 0.00 0.00 54.79 54.82 2x36 n ASP 852 Cb 0.43 0.43 0.11 0.00 -0.72 0.00 0.00 41.12 41.37 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 5.00 1.00 0.66 0.27 0.00 -1.47 -0.74 103.07 107.79 2x36 h GLY 853 Ca 0.00 -0.24 0.10 0.00 0.00 0.00 0.00 47.33 47.19 2x36 h GLY 853 CO 0.00 0.11 0.57 -2.55 0.00 0.00 0.00 176.54 174.67 2x36 h PRO 854 N 0.63 0.00 0.00 4.80 0.11 -1.83 -2.80 132.00 132.91 2x36 h PRO 854 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 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 -0.22 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.44 2x36 n SER 855 N -3.28 0.25 0.00 -2.05 3.41 -0.28 -1.98 113.62 109.69 2x36 n SER 855 Ca 0.06 0.56 0.10 0.00 -0.26 0.00 0.00 58.87 59.33 2x36 n SER 855 Cb 0.71 -0.61 0.59 0.00 -0.26 0.00 0.00 64.21 64.64 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 2.59 -0.10 7.33 0.00 -1.06 -1.05 120.51 126.62 2x36 n ALA 856 Ca 0.03 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.26 2x36 n ALA 856 Cb 0.20 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 5.23 0.48 2.00 0.00 0.00 -1.39 -1.73 103.07 107.66 2x36 h GLY 857 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 2x36 h GLY 857 CO 0.00 0.16 -0.52 0.00 0.00 0.00 0.00 176.54 176.18 2x36 h THR 859 N 0.00 0.56 -0.50 0.00 2.02 -1.79 0.21 112.91 113.41 2x36 h THR 859 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2x36 h THR 859 Cb 0.93 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2x36 h THR 859 CO 0.07 0.00 0.33 0.40 0.37 0.00 0.00 175.52 176.69 2x36 h ILE 860 N -0.43 1.13 -0.07 3.11 2.04 -0.88 -0.79 117.51 121.61 2x36 h ILE 860 Ca 0.00 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2x36 h ILE 860 Cb 0.41 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2x36 h ILE 860 CO -0.06 0.13 0.03 0.58 0.00 0.00 0.00 178.15 178.83 2x36 h VAL 861 N 0.69 1.14 0.12 1.67 2.07 -1.20 -1.32 116.25 119.41 2x36 h VAL 861 Ca 0.18 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2x36 h VAL 861 Cb -0.07 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2x36 h VAL 861 CO -0.04 0.12 -0.06 0.74 0.02 0.00 0.00 177.57 178.35 2x36 h THR 862 N -0.04 1.05 -0.89 2.57 2.02 -0.35 -2.51 112.91 114.76 2x36 h THR 862 Ca 0.02 -0.69 0.17 0.00 0.77 0.00 0.00 66.41 66.69 2x36 h THR 862 Cb 0.16 1.48 -0.17 0.00 -1.74 0.00 0.00 68.15 67.88 2x36 h THR 862 CO -0.00 0.16 -0.23 0.00 0.37 0.00 0.00 175.52 175.82 2x36 h ALA 863 N 0.35 0.55 -0.53 6.16 0.00 -1.20 0.12 119.26 124.71 2x36 h ALA 863 Ca -0.02 0.34 0.01 0.00 0.00 0.00 0.00 54.91 55.25 2x36 h ALA 863 Cb 0.39 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2x36 h ALA 863 CO 0.03 -0.41 0.33 -0.07 0.00 0.00 0.00 179.25 179.13 2x36 h LEU 864 N -0.01 0.56 -0.13 0.00 3.38 -0.84 -1.37 115.31 116.91 2x36 h LEU 864 Ca 0.42 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 58.15 2x36 h LEU 864 Cb 0.64 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.28 2x36 h LEU 864 CO -0.91 0.40 -0.82 -0.07 0.09 0.00 0.00 178.44 177.13 2x36 h LEU 865 N 0.67 0.93 -0.51 1.67 3.38 -1.31 0.84 115.31 120.99 2x36 h LEU 865 Ca 0.20 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2x36 h LEU 865 Cb -0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2x36 h LEU 865 CO -0.07 1.44 0.29 -1.28 0.09 0.00 0.00 178.44 178.91 2x36 h SER 866 N 0.50 0.62 -0.12 -0.43 0.87 -0.69 0.46 113.55 114.76 2x36 h SER 866 Ca -0.07 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.41 2x36 h SER 866 Cb 1.45 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 2x36 h SER 866 CO 0.17 0.51 0.04 0.25 -0.53 0.00 0.00 176.83 177.27 2x36 h LEU 867 N 0.68 0.17 -0.29 2.23 6.46 -0.86 -2.29 115.31 121.40 2x36 h LEU 867 Ca 0.18 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2x36 h LEU 867 Cb 0.02 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 2x36 h LEU 867 CO -0.03 0.31 0.19 0.00 -0.62 0.00 0.00 178.44 178.29 2x36 h ALA 868 N 0.86 0.36 -0.00 1.25 0.00 -0.81 -2.57 119.26 118.36 2x36 h ALA 868 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2x36 h ALA 868 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2x36 h ALA 868 CO -0.00 -0.17 -0.01 -1.33 0.00 0.00 0.00 179.25 177.74 2x36 n MET 869 N -4.89 0.43 -2.38 0.00 2.81 0.15 -4.83 117.12 108.40 2x36 n MET 869 Ca -0.02 -0.02 -0.05 0.00 -1.81 0.00 0.00 57.70 55.80 2x36 n MET 869 Cb 0.03 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.03 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 1.29 -0.43 3.52 3.03 0.00 -0.87 -5.01 105.19 106.72 2x36 n GLY 870 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.84 3.72 0.62 1.61 1.81 -1.15 -4.95 118.95 115.78 2x36 s ARG 871 Ca 0.00 -0.48 -0.14 0.00 -1.72 0.00 0.00 55.73 53.39 2x36 s ARG 871 Cb 0.00 -3.01 -0.03 0.00 -0.45 0.00 0.00 34.95 31.47 2x36 s ARG 871 CO 0.00 0.21 1.04 -2.14 -0.68 0.00 0.00 175.30 173.73 2x36 s PRO 872 N 0.48 3.31 0.49 3.54 0.02 -1.26 -4.55 135.00 137.03 2x36 s PRO 872 Ca -0.02 1.04 -0.20 0.00 0.02 0.00 0.00 61.00 61.84 2x36 s PRO 872 Cb -0.14 -2.04 -0.08 0.00 0.02 0.00 0.00 34.50 32.26 2x36 s PRO 872 CO 0.02 -0.81 1.05 0.08 -0.33 0.00 0.00 177.00 177.02 2x36 s VAL 873 N -2.75 3.71 0.33 3.83 1.01 -1.26 -4.86 120.40 120.41 2x36 s VAL 873 Ca 0.60 1.07 -0.29 0.00 0.00 0.00 0.00 61.98 63.36 2x36 s VAL 873 Cb -0.14 -3.43 -0.12 0.00 0.00 0.00 0.00 36.38 32.69 2x36 s VAL 873 CO 0.44 -0.23 1.40 -1.14 0.00 0.00 0.00 175.10 175.57 2x36 n ARG 874 N -1.01 2.33 -2.01 2.72 0.63 -0.42 -4.86 116.66 114.05 2x36 n ARG 874 Ca 0.10 0.82 -0.41 0.00 -0.92 0.00 0.00 57.85 57.43 2x36 n ARG 874 Cb 0.52 -2.48 -0.02 0.00 0.45 0.00 0.00 32.46 30.93 2x36 n ARG 874 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2x36 s GLN 875 N -1.48 4.27 -1.02 -0.14 0.74 -1.26 -3.33 119.66 117.43 2x36 s GLN 875 Ca 0.58 2.31 0.00 0.00 0.05 0.00 0.00 55.36 58.30 2x36 s GLN 875 Cb -0.55 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.46 2x36 s GLN 875 CO 0.58 -0.41 0.00 0.09 -0.55 0.00 0.00 175.29 175.00 2x36 n ASN 876 N 2.21 -4.27 -4.74 6.67 3.02 -1.26 -4.88 115.26 112.02 2x36 n ASN 876 Ca 0.06 0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 54.44 2x36 n ASN 876 Cb 0.40 -2.61 -0.04 0.00 -0.61 0.00 0.00 39.78 36.92 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 -2.18 4.50 0.06 3.41 2.96 -1.21 -1.67 118.68 124.55 2x36 s LEU 877 Ca 0.00 2.00 -0.04 0.00 -0.22 0.00 0.00 54.13 55.87 2x36 s LEU 877 Cb 0.00 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 2x36 s LEU 877 CO 0.00 -0.16 0.07 0.00 -1.32 0.00 0.00 176.35 174.94 2x36 s ALA 878 N -0.21 0.16 0.10 5.97 0.00 -0.76 -4.46 121.76 122.56 2x36 s ALA 878 Ca 0.48 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 2x36 s ALA 878 Cb -0.28 0.35 0.04 0.00 0.00 0.00 0.00 23.12 23.24 2x36 s ALA 878 CO 0.33 -0.42 0.44 0.00 0.00 0.00 0.00 175.76 176.11 2x36 s MET 879 N -3.75 1.05 -0.00 0.00 0.23 -1.23 -1.17 119.30 114.43 2x36 s MET 879 Ca 0.05 -0.55 -0.17 0.00 -1.03 0.00 0.00 55.69 53.99 2x36 s MET 879 Cb 0.06 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.86 2x36 s MET 879 CO -0.10 -0.40 0.37 -0.08 -2.03 0.00 0.00 175.02 172.78 2x36 s THR 880 N -3.33 0.05 0.00 3.16 -1.32 -1.14 -1.74 115.64 111.32 2x36 s THR 880 Ca -0.00 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 2x36 s THR 880 Cb 0.01 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 2x36 s THR 880 CO -0.09 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 2x36 n GLY 881 N 1.02 3.96 3.74 6.08 0.00 -0.22 -4.13 105.19 115.65 2x36 n GLY 881 Ca -0.20 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.43 4.79 -0.12 1.61 2.12 -1.16 -2.48 118.70 121.03 2x36 s GLU 882 Ca 0.00 1.46 -0.02 0.00 0.36 0.00 0.00 54.97 56.77 2x36 s GLU 882 Cb 0.00 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 2x36 s GLU 882 CO 0.00 0.42 -0.05 0.08 -0.54 0.00 0.00 175.26 175.17 2x36 s VAL 883 N -0.78 3.80 0.81 3.70 1.01 -1.26 -0.33 120.40 127.35 2x36 s VAL 883 Ca 0.43 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 2x36 s VAL 883 Cb -0.25 -2.61 0.12 0.00 0.00 0.00 0.00 36.38 33.63 2x36 s VAL 883 CO 0.31 0.54 1.15 -0.94 0.00 0.00 0.00 175.10 176.16 2x36 s SER 884 N -0.16 4.15 0.13 3.32 1.04 0.04 -4.90 113.70 117.32 2x36 s SER 884 Ca 0.03 0.38 0.19 0.00 0.48 0.00 0.00 55.95 57.03 2x36 s SER 884 Cb -0.13 -0.77 0.79 0.00 0.10 0.00 0.00 66.02 66.01 2x36 s SER 884 CO 0.03 -2.06 1.58 0.18 0.98 0.00 0.00 173.24 173.94 2x36 n LEU 885 N -3.28 0.34 -0.82 2.42 4.77 -1.26 -1.60 117.00 117.58 2x36 n LEU 885 Ca 0.11 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.75 2x36 n LEU 885 Cb 0.60 -0.54 0.23 0.00 -2.33 0.00 0.00 43.42 41.38 2x36 n LEU 885 CO 0.50 -0.42 0.69 0.35 -1.33 0.00 0.00 177.39 177.17 2x36 n THR 886 N -1.88 1.92 -0.48 -5.08 -2.24 -1.26 -4.84 114.28 100.42 2x36 n THR 886 Ca 0.03 -1.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.18 2x36 n THR 886 Cb 0.19 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.22 1.07 3.74 3.38 0.00 -0.62 -4.89 105.19 107.64 2x36 n GLY 887 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2x36 n GLY 887 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2x36 n LYS 888 N -2.00 2.74 -3.45 1.61 4.81 -1.26 -0.65 118.16 119.96 2x36 n LYS 888 Ca 0.00 0.98 -0.39 0.00 -0.87 0.00 0.00 58.31 58.03 2x36 n LYS 888 Cb 0.00 -2.78 -0.10 0.00 0.02 0.00 0.00 35.03 32.17 2x36 n LYS 888 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2x36 s ILE 889 N 0.36 5.21 0.14 3.15 1.01 -0.80 -0.78 121.20 129.49 2x36 s ILE 889 Ca 0.67 0.35 -0.05 0.00 0.00 0.00 0.00 60.65 61.61 2x36 s ILE 889 Cb -0.50 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 2x36 s ILE 889 CO 0.43 0.14 0.39 -0.76 0.00 0.00 0.00 174.94 175.14 2x36 s LEU 890 N 1.96 4.27 0.54 2.97 1.02 0.55 -4.82 118.68 125.17 2x36 s LEU 890 Ca 0.12 0.62 -0.22 0.00 0.02 0.00 0.00 54.13 54.68 2x36 s LEU 890 Cb -0.16 -3.30 -0.05 0.00 0.02 0.00 0.00 46.19 42.70 2x36 s LEU 890 CO 0.11 0.06 1.33 -2.16 0.02 0.00 0.00 176.35 175.70 2x36 s PRO 891 N -2.59 3.20 0.42 1.29 0.04 -1.26 -2.98 135.00 133.12 2x36 s PRO 891 Ca 0.40 2.16 0.04 0.00 0.04 0.00 0.00 61.00 63.64 2x36 s PRO 891 Cb -0.12 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2x36 s PRO 891 CO 0.24 -1.12 0.04 0.14 0.04 0.00 0.00 177.00 176.34 2x36 s VAL 892 N -1.35 1.30 0.19 -0.36 -7.23 -1.26 -4.79 120.40 106.90 2x36 s VAL 892 Ca 0.71 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 2x36 s VAL 892 Cb -0.38 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.02 2x36 s VAL 892 CO 0.45 0.00 0.24 0.61 -0.31 0.00 0.00 175.10 176.09 2x36 n GLY 893 N -0.99 2.14 2.41 2.32 0.00 -1.26 -4.84 105.19 104.96 2x36 n GLY 893 Ca -0.09 -2.17 -0.19 0.00 0.00 0.00 0.00 46.02 43.57 2x36 n GLY 893 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x36 n GLY 894 N 2.70 0.10 0.31 -0.02 0.00 -1.26 -4.89 105.19 102.13 2x36 n GLY 894 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 1.24 -0.41 -0.61 1.08 -1.94 0.12 117.51 116.99 2x36 h ILE 895 Ca -0.44 -0.66 -0.06 0.00 -0.39 0.00 0.00 64.86 63.31 2x36 h ILE 895 Cb 1.31 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 2x36 h ILE 895 CO 0.54 0.28 0.00 0.50 -0.69 0.00 0.00 178.15 178.79 2x36 h LYS 896 N 1.05 0.71 -0.24 2.37 3.64 -1.92 -0.41 116.57 121.78 2x36 h LYS 896 Ca 0.26 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 2x36 h LYS 896 Cb 0.10 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2x36 h LYS 896 CO -0.03 0.80 -0.11 0.93 -2.27 0.00 0.00 179.45 178.76 2x36 h GLU 897 N 0.54 0.38 0.03 1.90 3.07 -1.83 -2.04 114.58 116.64 2x36 h GLU 897 Ca 0.12 -0.10 -0.22 0.00 -0.50 0.00 0.00 59.36 58.66 2x36 h GLU 897 Cb 0.47 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 2x36 h GLU 897 CO 0.02 0.50 -0.98 0.87 -1.40 0.00 0.00 179.01 178.02 2x36 h LYS 898 N 0.36 0.20 0.15 2.33 1.57 -0.69 -0.61 116.57 119.87 2x36 h LYS 898 Ca 0.07 -0.26 -0.31 0.00 -1.87 0.00 0.00 60.65 58.29 2x36 h LYS 898 Cb 0.42 0.08 0.03 0.00 0.08 0.00 0.00 32.23 32.84 2x36 h LYS 898 CO 0.02 1.03 -1.30 1.15 -0.57 0.00 0.00 179.45 179.79 2x36 h THR 899 N 0.09 1.28 -0.64 -0.16 2.02 -0.79 -1.69 112.91 113.02 2x36 h THR 899 Ca -0.06 -2.50 0.13 0.00 0.77 0.00 0.00 66.41 64.74 2x36 h THR 899 Cb 1.65 2.77 -0.12 0.00 -1.74 0.00 0.00 68.15 70.71 2x36 h THR 899 CO 0.15 0.76 -0.13 0.40 0.37 0.00 0.00 175.52 177.07 2x36 h ILE 900 N 0.25 0.38 -0.40 3.11 2.04 -1.39 0.11 117.51 121.61 2x36 h ILE 900 Ca -0.20 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 2x36 h ILE 900 Cb 1.97 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 2x36 h ILE 900 CO 0.25 0.00 0.04 0.00 0.00 0.00 0.00 178.15 178.44 2x36 h ALA 901 N 1.63 0.54 -0.67 1.87 0.00 -0.87 0.52 119.26 122.28 2x36 h ALA 901 Ca 0.32 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2x36 h ALA 901 Cb 0.49 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2x36 h ALA 901 CO -0.64 0.27 0.30 0.00 0.00 0.00 0.00 179.25 179.18 2x36 h ALA 902 N 0.91 0.90 -0.03 0.00 0.00 -1.11 0.16 119.26 120.08 2x36 h ALA 902 Ca 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2x36 h ALA 902 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2x36 h ALA 902 CO 0.01 -0.12 -0.01 0.87 0.00 0.00 0.00 179.25 180.01 2x36 h LYS 903 N 0.51 0.05 -0.71 0.00 1.79 0.45 0.14 116.57 118.79 2x36 h LYS 903 Ca 0.33 -0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.88 2x36 h LYS 903 Cb 0.38 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.98 2x36 h LYS 903 CO -0.29 0.43 0.47 -0.09 -1.08 0.00 0.00 179.45 178.89 2x36 h ARG 904 N -0.33 0.56 -0.28 3.15 2.43 -0.81 -1.52 114.38 117.57 2x36 h ARG 904 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2x36 h ARG 904 Cb 0.41 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2x36 h ARG 904 CO 0.00 0.37 0.00 0.00 -1.51 0.00 0.00 179.97 178.83 2x36 n ALA 905 N -2.48 2.47 -1.32 2.80 0.00 0.53 -4.91 120.51 117.60 2x36 n ALA 905 Ca 0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.99 2x36 n ALA 905 Cb 0.36 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 1.04 0.50 3.73 0.00 0.00 -0.57 -5.00 105.19 104.89 2x36 n GLY 906 Ca 0.12 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.11 4.42 -0.82 1.61 1.01 0.44 -4.94 120.40 120.01 2x36 s VAL 907 Ca 0.00 2.07 0.18 0.00 0.00 0.00 0.00 61.98 64.23 2x36 s VAL 907 Cb 0.00 -4.32 -0.20 0.00 0.00 0.00 0.00 36.38 31.86 2x36 s VAL 907 CO 0.00 0.35 0.75 1.07 0.00 0.00 0.00 175.10 177.28 2x36 n THR 908 N 2.54 0.00 -3.52 3.92 5.66 -0.67 -4.69 114.28 117.52 2x36 n THR 908 Ca 0.01 -0.09 -0.11 0.00 -3.05 0.00 0.00 64.05 60.82 2x36 n THR 908 Cb 0.49 0.97 -0.10 0.00 -1.55 0.00 0.00 70.33 70.13 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 2.51 3.59 -0.18 0.00 2.07 0.47 -1.83 121.20 127.83 2x36 s ILE 910 Ca 0.06 -0.55 0.00 0.00 -1.41 0.00 0.00 60.65 58.75 2x36 s ILE 910 Cb -0.14 -2.46 0.01 0.00 0.13 0.00 0.00 42.46 40.00 2x36 s ILE 910 CO -0.13 0.58 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.63 2x36 s VAL 911 N -0.81 2.43 0.30 4.00 1.01 -0.32 -1.31 120.40 125.70 2x36 s VAL 911 Ca 0.13 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.36 2x36 s VAL 911 Cb -0.11 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 2x36 s VAL 911 CO 0.02 0.51 -0.08 -0.76 0.00 0.00 0.00 175.10 174.79 2x36 s LEU 912 N 1.17 2.59 0.20 3.92 1.43 0.05 -2.89 118.68 125.16 2x36 s LEU 912 Ca 0.02 -1.18 -0.30 0.00 -1.03 0.00 0.00 54.13 51.64 2x36 s LEU 912 Cb -0.14 -0.82 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 2x36 s LEU 912 CO -0.07 -0.26 1.34 -2.84 0.23 0.00 0.00 176.35 174.75 2x36 s PRO 913 N -3.66 4.36 0.35 1.29 0.02 -1.26 -0.76 135.00 135.34 2x36 s PRO 913 Ca 0.31 2.10 0.12 0.00 0.02 0.00 0.00 61.00 63.54 2x36 s PRO 913 Cb 0.03 -3.18 0.91 0.00 0.02 0.00 0.00 34.50 32.27 2x36 s PRO 913 CO 0.14 -0.30 1.77 0.00 -0.33 0.00 0.00 177.00 178.28 2x36 h ALA 914 N 5.43 1.92 0.00 -1.55 0.00 -1.25 0.38 119.26 124.19 2x36 h ALA 914 Ca -0.45 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2x36 h ALA 914 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2x36 h ALA 914 CO 0.78 -0.31 0.00 0.39 0.00 0.00 0.00 179.25 180.11 2x36 n GLU 915 N -4.72 0.10 -0.66 0.00 1.02 -1.26 -1.62 120.64 113.49 2x36 n GLU 915 Ca 0.24 0.23 0.09 0.00 -0.02 0.00 0.00 57.16 57.70 2x36 n GLU 915 Cb 0.71 -1.50 0.36 0.00 -0.02 0.00 0.00 31.44 30.99 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 -1.36 4.87 -0.31 1.62 4.13 0.13 -4.50 115.26 119.84 2x36 n ASN 916 Ca 0.04 -2.52 0.01 0.00 1.68 0.00 0.00 54.58 53.79 2x36 n ASN 916 Cb 0.10 -0.60 0.15 0.00 -1.54 0.00 0.00 39.78 37.89 2x36 n ASN 916 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2x36 h LYS 917 N 4.02 0.92 0.00 3.52 1.57 -1.40 -2.41 116.57 122.78 2x36 h LYS 917 Ca 0.00 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 2x36 h LYS 917 Cb 1.53 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 2x36 h LYS 917 CO 0.28 0.61 -0.66 1.57 -0.57 0.00 0.00 179.45 180.68 2x36 h LYS 918 N 0.95 0.00 0.00 3.15 2.10 -1.83 -0.96 116.57 119.98 2x36 h LYS 918 Ca 0.38 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.96 2x36 h LYS 918 Cb 0.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.52 2x36 h LYS 918 CO -0.18 0.66 -0.33 -0.44 -2.00 0.00 0.00 179.45 177.16 2x36 h ASP 919 N 0.00 0.00 0.35 7.07 3.32 -1.82 -2.90 116.42 122.45 2x36 h ASP 919 Ca -0.01 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.72 2x36 h ASP 919 Cb 1.18 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 2x36 h ASP 919 CO 0.09 0.33 -1.82 0.33 -1.72 0.00 0.00 179.24 176.45 2x36 n PHE 920 N -4.06 1.12 0.00 4.55 7.35 -0.74 -3.96 117.46 121.73 2x36 n PHE 920 Ca -0.02 0.33 -0.07 0.00 -0.76 0.00 0.00 57.45 56.93 2x36 n PHE 920 Cb 0.38 -1.18 0.10 0.00 0.35 0.00 0.00 39.48 39.13 2x36 n PHE 920 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2x36 h TYR 921 N 0.03 0.64 -0.18 -5.13 0.05 -1.28 -3.16 116.97 107.94 2x36 h TYR 921 Ca -0.34 -0.20 -0.09 0.00 0.05 0.00 0.00 58.73 58.16 2x36 h TYR 921 Cb 2.02 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 39.58 2x36 h TYR 921 CO 0.03 0.88 0.11 -0.40 -1.05 0.00 0.00 178.16 177.74 2x36 n ASP 922 N -4.01 3.02 -4.79 3.88 5.75 -1.10 -4.79 116.55 114.52 2x36 n ASP 922 Ca -0.02 -2.29 -0.32 0.00 -0.01 0.00 0.00 54.79 52.15 2x36 n ASP 922 Cb 0.54 -0.56 -0.07 0.00 -1.03 0.00 0.00 41.12 40.00 2x36 n ASP 922 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2x36 s LEU 923 N -0.62 3.88 0.25 -2.12 1.43 -1.20 -5.04 118.68 115.26 2x36 s LEU 923 Ca 0.11 0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 2x36 s LEU 923 Cb 0.09 -2.42 -0.15 0.00 0.03 0.00 0.00 46.19 43.74 2x36 s LEU 923 CO 0.02 0.22 1.01 0.00 0.23 0.00 0.00 176.35 177.82 2x36 n ALA 924 N 0.78 -0.60 0.25 4.21 0.00 -1.26 -4.79 120.51 119.10 2x36 n ALA 924 Ca -0.10 0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.88 2x36 n ALA 924 Cb 0.52 -1.99 0.63 0.00 0.00 0.00 0.00 19.45 18.61 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 2.26 1.09 0.00 0.00 0.00 -1.97 -2.37 119.26 118.26 2x36 h ALA 925 Ca -0.39 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 2x36 h ALA 925 Cb 1.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2x36 h ALA 925 CO 0.63 0.17 -0.47 0.27 0.00 0.00 0.00 179.25 179.84 2x36 h PHE 926 N 0.00 0.00 0.80 0.00 -0.00 -1.92 1.32 116.94 117.14 2x36 h PHE 926 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.93 2x36 h PHE 926 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.50 2x36 h PHE 926 CO 0.00 0.39 -0.38 0.82 -0.00 0.00 0.00 178.31 179.13 2x36 h ILE 927 N 0.00 0.00 0.00 0.88 2.04 -1.79 -3.31 117.51 115.33 2x36 h ILE 927 Ca -0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2x36 h ILE 927 Cb 1.31 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2x36 h ILE 927 CO 0.05 0.00 0.00 0.74 0.00 0.00 0.00 178.15 178.94 2x36 h THR 928 N -1.19 0.00 -3.85 -0.27 2.02 -1.34 -3.44 112.91 104.83 2x36 h THR 928 Ca -0.11 -0.39 -0.52 0.00 0.77 0.00 0.00 66.41 66.15 2x36 h THR 928 Cb 0.82 1.26 0.07 0.00 -1.74 0.00 0.00 68.15 68.56 2x36 h THR 928 CO 0.18 0.00 0.65 -0.70 0.37 0.00 0.00 175.52 176.02 2x36 s GLU 929 N -3.40 4.34 0.00 6.66 -6.30 0.45 -3.54 118.70 116.91 2x36 s GLU 929 Ca 0.04 2.24 0.00 0.00 -2.50 0.00 0.00 54.97 54.75 2x36 s GLU 929 Cb 0.09 -3.07 0.00 0.00 0.00 0.00 0.00 34.13 31.15 2x36 s GLU 929 CO 0.48 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.95 2x36 n GLY 930 N 0.87 0.80 3.75 -1.50 0.00 -1.26 -4.94 105.19 102.91 2x36 n GLY 930 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 3.87 -0.19 0.99 1.43 -1.23 -4.88 118.68 118.66 2x36 s LEU 931 Ca 0.00 0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 2x36 s LEU 931 Cb 0.00 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2x36 s LEU 931 CO 0.00 0.39 0.47 -0.70 0.23 0.00 0.00 176.35 176.74 2x36 s GLU 932 N -0.96 4.20 -0.08 1.70 2.12 -0.45 -4.97 118.70 120.26 2x36 s GLU 932 Ca 0.14 0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.85 2x36 s GLU 932 Cb -0.12 -3.54 -0.00 0.00 0.26 0.00 0.00 34.13 30.74 2x36 s GLU 932 CO 0.03 -0.08 -0.21 0.08 -0.54 0.00 0.00 175.26 174.54 2x36 s VAL 933 N 1.41 1.83 -0.08 3.70 1.01 -1.26 -0.40 120.40 126.61 2x36 s VAL 933 Ca 0.22 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2x36 s VAL 933 Cb -0.15 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.65 2x36 s VAL 933 CO 0.09 0.51 -0.19 -1.00 0.00 0.00 0.00 175.10 174.51 2x36 s HIS 934 N 0.27 2.01 -0.19 5.22 3.76 -0.43 -4.97 115.29 120.96 2x36 s HIS 934 Ca -0.14 -0.75 -0.06 0.00 -0.15 0.00 0.00 55.06 53.96 2x36 s HIS 934 Cb -0.16 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.12 2x36 s HIS 934 CO 0.06 -0.31 0.03 -0.06 -0.85 0.00 0.00 174.74 173.61 2x36 s PHE 935 N 0.38 3.12 0.09 1.40 0.08 -1.26 -0.77 117.98 121.03 2x36 s PHE 935 Ca -0.14 -0.20 0.09 0.00 0.12 0.00 0.00 56.93 56.80 2x36 s PHE 935 Cb -0.16 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 2x36 s PHE 935 CO 0.06 -0.06 -0.23 0.14 -0.10 0.00 0.00 175.22 175.02 2x36 s VAL 936 N 0.73 1.89 -0.10 -0.44 -7.23 0.06 -4.63 120.40 110.68 2x36 s VAL 936 Ca 0.02 -1.51 0.14 0.00 -1.81 0.00 0.00 61.98 58.82 2x36 s VAL 936 Cb -0.14 -1.67 -0.21 0.00 0.56 0.00 0.00 36.38 34.92 2x36 s VAL 936 CO 0.02 0.08 0.17 -0.62 -0.31 0.00 0.00 175.10 174.44 2x36 n GLU 937 N 1.28 1.15 -4.13 4.82 1.02 -1.26 -0.85 120.64 122.67 2x36 n GLU 937 Ca -0.18 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 56.81 2x36 n GLU 937 Cb 0.53 -1.39 -0.10 0.00 -0.02 0.00 0.00 31.44 30.47 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 -2.65 0.73 0.22 -0.32 3.76 -1.26 -1.90 115.29 113.86 2x36 s HIS 938 Ca -0.07 -1.03 -0.08 0.00 -0.15 0.00 0.00 55.06 53.73 2x36 s HIS 938 Cb 0.07 -0.46 0.17 0.00 1.11 0.00 0.00 32.58 33.46 2x36 s HIS 938 CO 0.64 -0.30 1.81 -0.92 -0.85 0.00 0.00 174.74 175.12 2x36 h TYR 939 N 3.03 1.16 -0.91 1.40 3.20 -1.22 -1.77 116.97 121.86 2x36 h TYR 939 Ca -0.35 -0.05 0.22 0.00 3.14 0.00 0.00 58.73 61.69 2x36 h TYR 939 Cb 1.16 -0.36 -0.06 0.00 1.54 0.00 0.00 36.73 39.00 2x36 h TYR 939 CO 0.54 0.84 0.61 -0.09 -1.64 0.00 0.00 178.16 178.42 2x36 h ARG 940 N 1.15 0.32 -0.83 1.82 9.65 -1.97 0.80 114.38 125.32 2x36 h ARG 940 Ca 0.28 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.11 2x36 h ARG 940 Cb 0.10 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 2x36 h ARG 940 CO -0.04 0.21 0.41 0.93 2.80 0.00 0.00 179.97 184.28 2x36 h GLU 941 N 0.33 1.19 0.00 0.20 5.08 -1.73 -1.82 114.58 117.82 2x36 h GLU 941 Ca 0.47 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 2x36 h GLU 941 Cb 1.31 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2x36 h GLU 941 CO -0.16 0.90 -0.72 0.82 -1.00 0.00 0.00 179.01 178.85 2x36 h ILE 942 N 1.18 1.32 -0.17 3.13 2.04 0.48 -2.75 117.51 122.74 2x36 h ILE 942 Ca 0.29 -2.67 -0.03 0.00 1.00 0.00 0.00 64.86 63.45 2x36 h ILE 942 Cb 0.10 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 2x36 h ILE 942 CO -0.04 0.71 0.01 0.15 0.00 0.00 0.00 178.15 178.98 2x36 h PHE 943 N 0.00 0.32 0.00 1.37 3.04 -0.70 -2.90 116.94 118.07 2x36 h PHE 943 Ca -0.01 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 2x36 h PHE 943 Cb 1.47 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.89 2x36 h PHE 943 CO 0.00 0.50 -0.03 -0.44 -2.02 0.00 0.00 178.31 176.32 2x36 h ASP 944 N 0.05 0.00 1.56 0.41 3.32 -1.26 0.20 116.42 120.70 2x36 h ASP 944 Ca 0.05 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 2x36 h ASP 944 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2x36 h ASP 944 CO 0.01 0.03 -0.45 0.40 -1.72 0.00 0.00 179.24 177.51 2x36 h ILE 945 N 0.00 0.68 0.00 0.35 2.04 -1.50 -3.33 117.51 115.75 2x36 h ILE 945 Ca -0.00 -1.97 -0.24 0.00 1.00 0.00 0.00 64.86 63.65 2x36 h ILE 945 Cb 0.05 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 2x36 h ILE 945 CO 0.00 0.39 -1.80 0.00 0.00 0.00 0.00 178.15 176.74 2x36 n ALA 946 N -2.21 1.77 -3.19 1.87 0.00 -0.70 -4.63 120.51 113.43 2x36 n ALA 946 Ca 0.02 -0.81 -0.23 0.00 0.00 0.00 0.00 53.44 52.42 2x36 n ALA 946 Cb 0.70 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 19.39 2x36 n ALA 946 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2x36 n PHE 947 N -2.84 0.85 0.18 0.00 3.72 -0.03 -1.30 117.46 118.04 2x36 n PHE 947 Ca -0.17 -3.78 0.02 0.00 -0.05 0.00 0.00 57.45 53.47 2x36 n PHE 947 Cb 0.96 -0.42 0.33 0.00 -0.94 0.00 0.00 39.48 39.41 2x36 n PHE 947 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2x36 h PRO 948 N 3.58 0.00 -0.82 -1.08 0.13 -1.79 -1.88 132.00 130.14 2x36 h PRO 948 Ca 0.10 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.15 2x36 h PRO 948 Cb 0.84 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.92 2x36 h PRO 948 CO 0.56 0.42 0.11 -0.25 -0.23 0.00 0.00 178.00 178.61 2x36 n ASP 949 N -3.95 3.71 -4.97 1.44 10.43 -1.26 -4.79 116.55 117.16 2x36 n ASP 949 Ca -0.02 -2.66 -0.21 0.00 2.57 0.00 0.00 54.79 54.48 2x36 n ASP 949 Cb 0.46 -0.64 -0.01 0.00 1.84 0.00 0.00 41.12 42.77 2x36 n ASP 949 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2x36 s GLU 950 N -2.02 3.27 0.09 -1.24 0.41 -0.71 -5.06 118.70 113.44 2x36 s GLU 950 Ca 0.33 -0.80 -0.30 0.00 -0.41 0.00 0.00 54.97 53.78 2x36 s GLU 950 Cb 0.26 -2.81 -0.05 0.00 -1.78 0.00 0.00 34.13 29.75 2x36 s GLU 950 CO 0.09 0.18 0.99 -1.14 -0.49 0.00 0.00 175.26 174.88 2x36 s GLN 951 N -4.15 4.64 0.57 1.61 0.74 -1.26 -4.98 119.66 116.84 2x36 s GLN 951 Ca 0.41 1.48 -0.19 0.00 0.05 0.00 0.00 55.36 57.11 2x36 s GLN 951 Cb -0.09 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 2x36 s GLN 951 CO 0.31 0.12 1.17 0.00 -0.55 0.00 0.00 175.29 176.34 2x36 s ALA 952 N 0.28 2.60 0.00 1.58 0.00 -1.26 -5.11 121.76 119.85 2x36 s ALA 952 Ca 0.49 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2x36 s ALA 952 Cb -0.24 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2x36 s ALA 952 CO 0.30 -1.00 0.00 0.39 0.00 0.00 0.00 175.76 175.45