#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr2 n GLN 776 N 0.00 0.00 -0.08 2.12 1.13 -1.26 -4.86 117.38 114.43 1sr2 n GLN 776 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 1sr2 n GLN 776 Cb 0.00 0.00 0.20 0.00 0.11 0.00 0.00 30.24 30.55 1sr2 n GLN 776 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1sr2 h GLU 777 N 0.00 0.72 -3.06 -1.09 4.57 -2.08 -3.28 114.58 110.37 1sr2 h GLU 777 Ca 0.00 -0.17 -0.65 0.00 -1.18 0.00 0.00 59.36 57.35 1sr2 h GLU 777 Cb 0.00 -0.09 -0.39 0.00 -0.16 0.00 0.00 28.75 28.10 1sr2 h GLU 777 CO 0.00 0.72 -0.36 0.00 -1.18 0.00 0.00 179.01 178.19 1sr2 n ALA 778 N -2.47 3.69 -0.29 2.92 0.00 -1.26 -4.88 120.51 118.22 1sr2 n ALA 778 Ca 0.02 -4.60 -0.05 0.00 0.00 0.00 0.00 53.44 48.81 1sr2 n ALA 778 Cb 0.27 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.49 1sr2 n ALA 778 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1sr2 h VAL 779 N 4.08 1.25 0.00 0.00 -1.51 -1.89 -3.38 116.25 114.80 1sr2 h VAL 779 Ca 0.16 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 1sr2 h VAL 779 Cb 0.76 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1sr2 h VAL 779 CO 0.80 0.29 0.00 0.00 -1.23 0.00 0.00 177.57 177.43 1sr2 n LEU 780 N -4.37 0.00 0.00 4.19 -0.00 -1.26 -4.82 117.00 110.74 1sr2 n LEU 780 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1sr2 n LEU 780 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 1sr2 n LEU 780 CO 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.78 1sr2 n GLN 781 N 0.00 0.00 0.00 1.47 6.02 -1.26 -5.09 117.38 118.52 1sr2 n GLN 781 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1sr2 n GLN 781 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1sr2 n GLN 781 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1sr2 n LEU 782 N 0.00 0.00 0.00 1.08 -0.00 -1.26 -5.12 117.00 111.70 1sr2 n LEU 782 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1sr2 n LEU 782 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 1sr2 n LEU 782 CO 0.00 -0.04 0.00 2.30 -0.00 0.00 0.00 177.39 179.65 1sr2 n ILE 783 N -1.59 0.00 0.00 1.47 -5.35 -1.26 -5.10 119.36 107.54 1sr2 n ILE 783 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1sr2 n ILE 783 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1sr2 n ILE 783 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1sr2 n GLU 784 N 0.00 0.00 -3.82 6.28 4.71 -1.26 -4.93 120.64 121.62 1sr2 n GLU 784 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 1sr2 n GLU 784 Cb 0.00 -0.82 -0.10 0.00 -1.01 0.00 0.00 31.44 29.51 1sr2 n GLU 784 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1sr2 n VAL 785 N -2.22 2.07 -0.06 2.62 0.24 -1.26 -4.89 118.33 114.82 1sr2 n VAL 785 Ca 0.00 -4.95 -0.03 0.00 -2.04 0.00 0.00 64.34 57.32 1sr2 n VAL 785 Cb 0.34 -2.24 -0.01 0.00 -1.47 0.00 0.00 33.84 30.46 1sr2 n VAL 785 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1sr2 h GLN 786 N 5.53 0.00 -0.57 7.34 -0.00 -1.99 -3.38 115.11 122.05 1sr2 h GLN 786 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 1sr2 h GLN 786 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.25 1sr2 h GLN 786 CO 0.76 0.05 0.00 1.28 0.00 0.00 0.00 178.83 180.93 1sr2 n LEU 787 N -4.69 5.11 0.00 -2.39 7.99 -1.26 -4.95 117.00 116.82 1sr2 n LEU 787 Ca -0.04 -2.73 -0.12 0.00 -0.01 0.00 0.00 56.01 53.10 1sr2 n LEU 787 Cb 0.15 -0.62 -0.03 0.00 -0.11 0.00 0.00 43.42 42.81 1sr2 n LEU 787 CO 0.06 0.71 -0.08 0.00 -1.51 0.00 0.00 177.39 176.57 1sr2 n ALA 788 N 0.71 0.24 -2.35 -1.18 0.00 -1.26 -4.98 120.51 111.69 1sr2 n ALA 788 Ca 0.26 -0.96 -0.03 0.00 0.00 0.00 0.00 53.44 52.70 1sr2 n ALA 788 Cb 1.03 0.61 0.00 0.00 0.00 0.00 0.00 19.45 21.09 1sr2 n ALA 788 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1sr2 n GLN 789 N -0.46 -1.21 -1.96 0.00 7.27 -1.26 -4.87 117.38 114.88 1sr2 n GLN 789 Ca -0.05 1.35 -0.30 0.00 0.07 0.00 0.00 57.00 58.07 1sr2 n GLN 789 Cb 0.28 -4.01 0.04 0.00 2.41 0.00 0.00 30.24 28.96 1sr2 n GLN 789 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1sr2 s GLU 790 N -2.30 2.94 0.42 3.69 -1.05 -1.26 -5.08 118.70 116.05 1sr2 s GLU 790 Ca 0.10 0.42 0.03 0.00 -0.15 0.00 0.00 54.97 55.37 1sr2 s GLU 790 Cb -0.03 -2.07 0.00 0.00 -0.44 0.00 0.00 34.13 31.60 1sr2 s GLU 790 CO 0.46 -0.94 0.60 -1.21 0.95 0.00 0.00 175.26 175.11 1sr2 s GLU 791 N -5.29 3.00 0.01 -4.83 2.02 -1.26 -5.12 118.70 107.24 1sr2 s GLU 791 Ca 0.57 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.79 1sr2 s GLU 791 Cb -0.11 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 1sr2 s GLU 791 CO 0.51 -0.20 -0.07 0.54 0.02 0.00 0.00 175.26 176.07 1sr2 s VAL 792 N -2.42 0.50 -0.03 2.63 0.11 -1.26 -5.15 120.40 114.78 1sr2 s VAL 792 Ca 0.49 -0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1sr2 s VAL 792 Cb -0.10 -0.47 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1sr2 s VAL 792 CO 0.35 -0.03 0.07 0.28 -3.33 0.00 0.00 175.10 172.44 1sr2 s THR 793 N -0.54 -0.04 -0.14 5.04 -1.32 -1.26 -5.14 115.64 112.24 1sr2 s THR 793 Ca -0.02 0.15 0.01 0.00 -1.21 0.00 0.00 61.69 60.62 1sr2 s THR 793 Cb -0.05 -0.13 -0.01 0.00 -1.51 0.00 0.00 72.50 70.80 1sr2 s THR 793 CO 0.00 0.06 -0.15 -1.61 -2.21 0.00 0.00 174.62 170.71 1sr2 s GLU 794 N 0.83 3.27 -0.59 7.08 8.01 -1.26 -5.05 118.70 130.98 1sr2 s GLU 794 Ca -0.07 -0.74 0.05 0.00 0.01 0.00 0.00 54.97 54.23 1sr2 s GLU 794 Cb -0.09 -2.59 0.18 0.00 -4.31 0.00 0.00 34.13 27.32 1sr2 s GLU 794 CO -0.03 0.13 0.48 0.43 0.01 0.00 0.00 175.26 176.28 1sr2 n SER 795 N 3.74 1.88 -0.20 -0.19 7.64 -1.26 -4.96 113.62 120.27 1sr2 n SER 795 Ca -0.19 -2.96 -0.09 0.00 1.01 0.00 0.00 58.87 56.65 1sr2 n SER 795 Cb 0.52 -0.68 0.02 0.00 -1.01 0.00 0.00 64.21 63.06 1sr2 n SER 795 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1sr2 h PRO 796 N 5.25 1.03 -2.33 1.43 0.13 -2.05 -3.38 132.00 132.07 1sr2 h PRO 796 Ca 0.19 -0.32 -0.57 0.00 -0.87 0.00 0.00 66.00 64.42 1sr2 h PRO 796 Cb 0.80 -0.09 -0.37 0.00 0.13 0.00 0.00 31.00 31.46 1sr2 h PRO 796 CO 0.61 1.01 -0.95 -0.51 -0.23 0.00 0.00 178.00 177.93 1sr2 s LEU 797 N -9.36 1.23 0.08 1.56 1.43 -1.26 -4.95 118.68 107.40 1sr2 s LEU 797 Ca -0.12 -2.92 -0.09 0.00 -1.03 0.00 0.00 54.13 49.97 1sr2 s LEU 797 Cb 0.13 -0.33 -0.26 0.00 0.03 0.00 0.00 46.19 45.76 1sr2 s LEU 797 CO 0.85 -0.18 1.15 1.23 0.23 0.00 0.00 176.35 179.62 1sr2 h GLY 798 N 5.76 0.48 0.00 -3.19 0.00 -1.99 -3.49 103.07 100.65 1sr2 h GLY 798 Ca 0.24 -1.09 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1sr2 h GLY 798 CO 0.34 0.95 0.00 0.61 0.00 0.00 0.00 176.54 178.45 1sr2 n GLY 799 N 1.40 3.71 2.29 4.60 0.00 -1.26 -5.13 105.19 110.81 1sr2 n GLY 799 Ca -0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 1sr2 n GLY 799 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sr2 n ASP 800 N 0.00 -2.48 -0.19 1.61 -0.08 -1.26 -4.66 116.55 109.49 1sr2 n ASP 800 Ca 0.00 0.96 -0.10 0.00 -1.51 0.00 0.00 54.79 54.15 1sr2 n ASP 800 Cb 0.00 -4.01 0.01 0.00 2.34 0.00 0.00 41.12 39.47 1sr2 n ASP 800 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1sr2 h GLU 801 N 2.63 0.97 -0.23 -0.67 3.07 -1.98 -1.77 114.58 116.60 1sr2 h GLU 801 Ca -0.28 -0.32 -0.00 0.00 -0.50 0.00 0.00 59.36 58.26 1sr2 h GLU 801 Cb 0.63 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1sr2 h GLU 801 CO 0.03 0.99 0.13 -0.97 -1.40 0.00 0.00 179.01 177.78 1sr2 h ASN 802 N 0.85 0.28 -0.56 1.42 -0.73 -1.93 0.29 115.58 115.21 1sr2 h ASN 802 Ca 0.15 -0.07 -0.06 0.00 1.87 0.00 0.00 56.30 58.20 1sr2 h ASN 802 Cb 0.56 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 39.05 1sr2 h ASN 802 CO 0.03 0.27 0.15 0.00 -0.37 0.00 0.00 177.43 177.51 1sr2 h ALA 803 N 1.02 1.14 -0.22 1.57 0.00 -1.87 -0.53 119.26 120.36 1sr2 h ALA 803 Ca 0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1sr2 h ALA 803 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1sr2 h ALA 803 CO -0.01 0.58 -0.07 1.96 0.00 0.00 0.00 179.25 181.70 1sr2 h GLN 804 N 0.89 0.44 -0.33 0.00 1.08 -0.89 -0.50 115.11 115.80 1sr2 h GLN 804 Ca 0.19 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1sr2 h GLN 804 Cb 0.31 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1sr2 h GLN 804 CO -0.00 0.70 0.02 1.37 -0.95 0.00 0.00 178.83 179.97 1sr2 h LEU 805 N 0.17 0.47 -0.39 1.46 8.10 -0.25 -1.06 115.31 123.81 1sr2 h LEU 805 Ca 0.05 -0.08 -0.11 0.00 0.11 0.00 0.00 57.88 57.86 1sr2 h LEU 805 Cb 0.55 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.63 1sr2 h LEU 805 CO 0.03 0.52 -0.18 -0.74 -4.11 0.00 0.00 178.44 173.96 1sr2 h HIS 806 N 0.49 0.92 0.00 0.17 2.76 -0.93 -1.83 115.15 116.73 1sr2 h HIS 806 Ca 0.11 -0.23 -0.06 0.00 -2.20 0.00 0.00 60.37 57.99 1sr2 h HIS 806 Cb 0.28 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1sr2 h HIS 806 CO 0.01 0.98 -0.28 0.00 -1.30 0.00 0.00 177.93 177.34 1sr2 h ALA 807 N 0.81 1.46 -0.01 5.26 0.00 -0.37 -1.89 119.26 124.52 1sr2 h ALA 807 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sr2 h ALA 807 Cb 0.73 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sr2 h ALA 807 CO 0.06 0.35 -0.08 -1.13 0.00 0.00 0.00 179.25 178.44 1sr2 n SER 808 N -4.10 0.72 -1.12 0.00 3.41 -0.47 -4.92 113.62 107.14 1sr2 n SER 808 Ca -0.02 -0.92 -0.09 0.00 -0.26 0.00 0.00 58.87 57.59 1sr2 n SER 808 Cb 0.34 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1sr2 n SER 808 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sr2 n GLY 809 N 1.21 0.10 0.80 5.00 0.00 -0.71 -4.91 105.19 106.68 1sr2 n GLY 809 Ca 0.17 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1sr2 n GLY 809 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sr2 n TYR 810 N -3.90 0.05 -0.28 1.61 4.01 -0.71 -4.35 117.16 113.60 1sr2 n TYR 810 Ca -0.08 -0.03 -0.04 0.00 -0.16 0.00 0.00 57.90 57.59 1sr2 n TYR 810 Cb 0.56 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.66 1sr2 n TYR 810 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1sr2 h TYR 811 N 3.80 0.96 -0.21 -0.72 3.20 -1.86 0.17 116.97 122.30 1sr2 h TYR 811 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1sr2 h TYR 811 Cb 0.81 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1sr2 h TYR 811 CO 0.03 0.60 0.09 0.00 -1.64 0.00 0.00 178.16 177.24 1sr2 h ALA 812 N 1.28 1.77 0.08 1.82 0.00 -1.95 0.15 119.26 122.40 1sr2 h ALA 812 Ca 0.28 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.85 1sr2 h ALA 812 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1sr2 h ALA 812 CO -0.06 0.19 -1.42 -0.07 0.00 0.00 0.00 179.25 177.89 1sr2 h LEU 813 N 0.29 0.26 -0.37 0.00 3.38 -1.61 -2.93 115.31 114.35 1sr2 h LEU 813 Ca 0.08 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1sr2 h LEU 813 Cb 0.05 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1sr2 h LEU 813 CO -0.01 1.29 0.22 0.15 0.09 0.00 0.00 178.44 180.19 1sr2 h PHE 814 N 0.05 0.48 -0.00 1.13 3.57 0.05 -2.31 116.94 119.91 1sr2 h PHE 814 Ca -0.19 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1sr2 h PHE 814 Cb 1.96 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.54 1sr2 h PHE 814 CO 0.04 0.34 -0.09 1.33 -2.23 0.00 0.00 178.31 177.71 1sr2 n VAL 815 N -4.80 0.00 0.00 1.41 0.24 -0.03 -3.43 118.33 111.72 1sr2 n VAL 815 Ca -0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1sr2 n VAL 815 Cb 0.05 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 1sr2 n VAL 815 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1sr2 n ASP 816 N -1.18 0.00 0.07 -1.34 -0.08 -0.91 -4.56 116.55 108.55 1sr2 n ASP 816 Ca 0.13 0.18 -0.09 0.00 -1.51 0.00 0.00 54.79 53.50 1sr2 n ASP 816 Cb 0.28 -0.38 -0.11 0.00 2.34 0.00 0.00 41.12 43.25 1sr2 n ASP 816 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sr2 h THR 817 N 0.00 1.66 0.46 5.18 1.03 -1.64 -3.30 112.91 116.30 1sr2 h THR 817 Ca 0.00 -3.27 -0.02 0.00 -0.01 0.00 0.00 66.41 63.10 1sr2 h THR 817 Cb 0.00 2.83 0.00 0.00 -1.07 0.00 0.00 68.15 69.91 1sr2 h THR 817 CO 0.00 0.94 -0.22 0.58 -0.01 0.00 0.00 175.52 176.81 1sr2 h VAL 818 N 0.02 0.51 -0.57 0.00 2.07 -1.71 0.45 116.25 117.02 1sr2 h VAL 818 Ca -0.04 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1sr2 h VAL 818 Cb 1.78 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1sr2 h VAL 818 CO 0.14 0.05 0.38 -0.65 0.02 0.00 0.00 177.57 177.51 1sr2 h PRO 819 N -0.80 0.70 -0.28 1.57 0.11 -1.76 0.12 132.00 131.67 1sr2 h PRO 819 Ca -0.06 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.82 1sr2 h PRO 819 Cb 0.56 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1sr2 h PRO 819 CO 0.10 0.47 -0.57 0.22 -0.21 0.00 0.00 178.00 178.02 1sr2 h ASP 820 N 0.73 0.97 0.06 -2.05 1.82 -1.58 -1.34 116.42 115.03 1sr2 h ASP 820 Ca 0.22 -0.53 -0.13 0.00 -0.39 0.00 0.00 57.03 56.20 1sr2 h ASP 820 Cb -0.01 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.71 1sr2 h ASP 820 CO -0.05 1.33 -0.44 0.44 -1.61 0.00 0.00 179.24 178.91 1sr2 h ASP 821 N 0.66 0.49 -0.61 2.28 3.32 0.49 -1.97 116.42 121.08 1sr2 h ASP 821 Ca 0.01 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1sr2 h ASP 821 Cb 1.18 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1sr2 h ASP 821 CO 0.12 0.87 0.23 0.58 -1.72 0.00 0.00 179.24 179.32 1sr2 h VAL 822 N 0.37 1.23 0.33 -1.35 2.07 -0.68 -0.18 116.25 118.03 1sr2 h VAL 822 Ca 0.03 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1sr2 h VAL 822 Cb 0.92 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1sr2 h VAL 822 CO 0.08 0.30 -0.29 0.11 0.02 0.00 0.00 177.57 177.79 1sr2 h LYS 823 N 0.93 -0.61 -0.43 1.57 1.57 -0.54 -0.43 116.57 118.63 1sr2 h LYS 823 Ca 0.21 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.97 1sr2 h LYS 823 Cb 0.22 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1sr2 h LYS 823 CO -0.01 -0.41 0.00 0.07 -0.57 0.00 0.00 179.45 178.53 1sr2 h ARG 824 N -0.63 0.70 -0.33 3.15 0.11 -1.25 0.80 114.38 116.92 1sr2 h ARG 824 Ca -0.02 -0.17 0.06 0.00 0.10 0.00 0.00 59.98 59.94 1sr2 h ARG 824 Cb 0.57 -0.09 -0.05 0.00 1.11 0.00 0.00 29.97 31.51 1sr2 h ARG 824 CO -0.04 0.71 0.02 -0.07 0.10 0.00 0.00 179.97 180.69 1sr2 h LEU 825 N 0.66 -0.09 -0.50 0.08 3.38 -0.75 0.18 115.31 118.26 1sr2 h LEU 825 Ca 0.13 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1sr2 h LEU 825 Cb 0.40 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1sr2 h LEU 825 CO 0.02 -0.01 0.06 0.22 0.09 0.00 0.00 178.44 178.82 1sr2 h TYR 826 N 0.12 0.91 -0.50 1.13 5.03 -0.56 -0.84 116.97 122.26 1sr2 h TYR 826 Ca 0.16 -0.13 -0.07 0.00 2.58 0.00 0.00 58.73 61.27 1sr2 h TYR 826 Cb 0.20 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 1sr2 h TYR 826 CO -0.22 0.83 0.06 1.15 -1.32 0.00 0.00 178.16 178.66 1sr2 h THR 827 N 0.72 1.25 0.00 1.81 2.02 -0.29 -1.73 112.91 116.70 1sr2 h THR 827 Ca 0.15 -0.98 -0.10 0.00 0.77 0.00 0.00 66.41 66.25 1sr2 h THR 827 Cb 0.43 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1sr2 h THR 827 CO 0.01 0.35 -0.48 -0.33 0.37 0.00 0.00 175.52 175.44 1sr2 h GLU 828 N 0.71 0.00 -0.47 6.66 4.39 -0.65 -2.62 114.58 122.60 1sr2 h GLU 828 Ca 0.15 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1sr2 h GLU 828 Cb 0.43 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1sr2 h GLU 828 CO 0.01 0.48 0.13 0.00 -1.16 0.00 0.00 179.01 178.47 1sr2 h ALA 829 N 1.52 1.34 -0.38 3.43 0.00 -0.76 0.15 119.26 124.56 1sr2 h ALA 829 Ca -0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1sr2 h ALA 829 Cb 1.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1sr2 h ALA 829 CO 0.06 0.48 0.08 0.00 0.00 0.00 0.00 179.25 179.87 1sr2 h ALA 830 N 1.45 0.50 0.00 0.00 0.00 -1.01 -2.62 119.26 117.58 1sr2 h ALA 830 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sr2 h ALA 830 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1sr2 h ALA 830 CO -0.01 0.19 0.00 2.41 0.00 0.00 0.00 179.25 181.84 1sr2 n THR 831 N -4.57 0.76 -2.68 0.00 -1.04 -0.95 -4.86 114.28 100.94 1sr2 n THR 831 Ca -0.01 0.19 -0.19 0.00 -2.04 0.00 0.00 64.05 62.00 1sr2 n THR 831 Cb 0.21 -0.89 0.01 0.00 -1.82 0.00 0.00 70.33 67.85 1sr2 n THR 831 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1sr2 n SER 832 N -1.49 -5.54 -4.06 8.00 7.64 -0.08 -4.90 113.62 113.19 1sr2 n SER 832 Ca 0.05 -0.15 -0.43 0.00 1.01 0.00 0.00 58.87 59.35 1sr2 n SER 832 Cb 0.20 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 58.94 1sr2 n SER 832 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1sr2 n ASP 833 N -1.83 4.79 0.25 6.43 -0.08 0.33 -4.78 116.55 121.65 1sr2 n ASP 833 Ca -0.15 -2.99 0.10 0.00 -1.51 0.00 0.00 54.79 50.24 1sr2 n ASP 833 Cb 0.63 -1.58 0.67 0.00 2.34 0.00 0.00 41.12 43.18 1sr2 n ASP 833 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1sr2 h PHE 834 N 6.37 0.00 -0.64 -0.67 0.04 -1.91 0.36 116.94 120.50 1sr2 h PHE 834 Ca 0.43 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.14 1sr2 h PHE 834 Cb 0.72 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.84 1sr2 h PHE 834 CO 1.30 0.00 0.17 0.00 -0.60 0.00 0.00 178.31 179.18 1sr2 h ALA 835 N 1.98 0.84 0.06 2.45 0.00 -1.95 0.23 119.26 122.86 1sr2 h ALA 835 Ca 0.02 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.45 1sr2 h ALA 835 Cb 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1sr2 h ALA 835 CO -0.00 0.53 -1.08 0.00 0.00 0.00 0.00 179.25 178.71 1sr2 h ALA 836 N 1.06 0.22 -0.28 0.00 0.00 -1.43 -1.82 119.26 117.01 1sr2 h ALA 836 Ca 0.20 -0.77 0.05 0.00 0.00 0.00 0.00 54.91 54.39 1sr2 h ALA 836 Cb 0.34 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1sr2 h ALA 836 CO -0.00 0.83 0.00 -0.07 0.00 0.00 0.00 179.25 180.01 1sr2 h LEU 837 N 0.20 -0.11 -0.66 0.00 3.38 -0.24 0.16 115.31 118.04 1sr2 h LEU 837 Ca -0.12 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1sr2 h LEU 837 Cb 1.75 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 1sr2 h LEU 837 CO 0.19 -0.02 0.26 0.00 0.09 0.00 0.00 178.44 178.95 1sr2 h ALA 838 N 1.24 0.86 -0.40 1.53 0.00 -0.87 0.25 119.26 121.87 1sr2 h ALA 838 Ca 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1sr2 h ALA 838 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1sr2 h ALA 838 CO -0.23 0.49 0.21 1.96 0.00 0.00 0.00 179.25 181.68 1sr2 h GLN 839 N 0.94 0.57 -0.23 0.00 1.08 -0.83 0.11 115.11 116.75 1sr2 h GLN 839 Ca 0.22 -0.08 -0.16 0.00 -1.45 0.00 0.00 58.65 57.18 1sr2 h GLN 839 Cb 0.22 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1sr2 h GLN 839 CO -0.02 0.48 -0.51 1.15 -0.95 0.00 0.00 178.83 178.99 1sr2 h THR 840 N 0.52 1.30 -0.91 -0.54 2.02 -0.48 -1.20 112.91 113.63 1sr2 h THR 840 Ca 0.14 -1.72 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 1sr2 h THR 840 Cb 0.08 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1sr2 h THR 840 CO -0.02 0.55 0.54 0.00 0.37 0.00 0.00 175.52 176.95 1sr2 h ALA 841 N 0.93 1.16 -0.80 6.16 0.00 -0.29 -0.59 119.26 125.82 1sr2 h ALA 841 Ca 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1sr2 h ALA 841 Cb 1.06 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1sr2 h ALA 841 CO 0.10 0.62 0.37 1.25 0.00 0.00 0.00 179.25 181.59 1sr2 h HIS 842 N 1.25 1.17 0.03 0.00 6.17 -0.51 0.81 115.15 124.09 1sr2 h HIS 842 Ca 0.32 -0.07 -0.00 0.00 0.71 0.00 0.00 60.37 61.34 1sr2 h HIS 842 Cb -0.04 -0.36 -0.00 0.00 2.52 0.00 0.00 27.41 29.53 1sr2 h HIS 842 CO 0.00 0.86 -0.02 0.00 0.71 0.00 0.00 177.93 179.49 1sr2 h ARG 843 N 1.14 -0.05 -0.39 5.26 3.08 -0.49 -0.48 114.38 122.45 1sr2 h ARG 843 Ca 0.27 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.21 1sr2 h ARG 843 Cb 0.15 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1sr2 h ARG 843 CO -0.03 -0.03 -0.21 1.25 -1.07 0.00 0.00 179.97 179.87 1sr2 h LEU 844 N -0.05 0.79 -0.60 3.04 5.85 -0.92 -0.73 115.31 122.68 1sr2 h LEU 844 Ca -0.00 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1sr2 h LEU 844 Cb 0.04 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1sr2 h LEU 844 CO 0.00 0.98 0.34 0.50 -0.34 0.00 0.00 178.44 179.93 1sr2 h LYS 845 N 0.68 0.84 -0.24 1.25 3.64 -0.71 -0.16 116.57 121.86 1sr2 h LYS 845 Ca 0.10 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1sr2 h LYS 845 Cb 0.72 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1sr2 h LYS 845 CO 0.06 0.63 -0.08 0.78 -2.27 0.00 0.00 179.45 178.56 1sr2 h GLY 846 N 0.82 0.52 1.97 5.01 0.00 -0.64 -0.98 103.07 109.78 1sr2 h GLY 846 Ca 0.21 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 1sr2 h GLY 846 CO -0.04 0.41 -0.55 -0.39 0.00 0.00 0.00 176.54 175.97 1sr2 h VAL 847 N 0.22 1.39 -0.12 4.60 -1.51 -1.07 0.78 116.25 120.54 1sr2 h VAL 847 Ca 0.06 -1.88 -0.07 0.00 -1.23 0.00 0.00 66.70 63.59 1sr2 h VAL 847 Cb 0.56 2.00 -0.00 0.00 -2.13 0.00 0.00 31.29 31.72 1sr2 h VAL 847 CO 0.03 0.54 -0.19 -0.26 -1.23 0.00 0.00 177.57 176.46 1sr2 h PHE 848 N 0.02 0.42 0.00 5.19 -1.00 -0.96 0.23 116.94 120.84 1sr2 h PHE 848 Ca -0.00 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 60.63 1sr2 h PHE 848 Cb 0.98 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 40.45 1sr2 h PHE 848 CO 0.00 0.80 -0.03 0.00 -1.61 0.00 0.00 178.31 177.47 1sr2 h ALA 849 N 0.55 1.50 -0.02 2.45 0.00 -1.02 0.47 119.26 123.20 1sr2 h ALA 849 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sr2 h ALA 849 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1sr2 h ALA 849 CO 0.04 0.04 -0.09 1.98 0.00 0.00 0.00 179.25 181.23 1sr2 h MET 850 N 0.00 0.09 -0.76 0.00 -1.53 -0.44 -3.25 114.93 109.04 1sr2 h MET 850 Ca -0.00 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.18 1sr2 h MET 850 Cb 0.08 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.15 1sr2 h MET 850 CO 0.00 0.73 0.00 1.28 0.14 0.00 0.00 176.91 179.06 1sr2 n LEU 851 N -4.68 3.53 -3.08 3.39 4.77 0.76 -4.88 117.00 116.81 1sr2 n LEU 851 Ca -0.09 -1.79 -0.23 0.00 -0.03 0.00 0.00 56.01 53.88 1sr2 n LEU 851 Cb 0.38 -0.59 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1sr2 n LEU 851 CO 0.36 0.46 0.01 -0.46 -1.33 0.00 0.00 177.39 176.43 1sr2 n ASN 852 N 0.36 -5.95 -3.87 -1.43 6.94 0.92 -4.87 115.26 107.36 1sr2 n ASN 852 Ca 0.15 -0.31 -0.42 0.00 -0.02 0.00 0.00 54.58 53.98 1sr2 n ASN 852 Cb 0.75 -4.81 0.01 0.00 -2.36 0.00 0.00 39.78 33.37 1sr2 n ASN 852 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1sr2 n LEU 853 N -4.07 6.78 0.17 -4.53 4.32 0.13 -4.89 117.00 114.91 1sr2 n LEU 853 Ca -0.10 -5.08 -0.14 0.00 -0.02 0.00 0.00 56.01 50.67 1sr2 n LEU 853 Cb 0.61 -1.31 -0.07 0.00 -1.62 0.00 0.00 43.42 41.03 1sr2 n LEU 853 CO 0.49 1.71 0.69 0.58 -1.22 0.00 0.00 177.39 179.64 1sr2 h VAL 854 N 3.24 0.45 -0.96 4.08 2.07 -1.91 0.17 116.25 123.39 1sr2 h VAL 854 Ca 0.34 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.96 1sr2 h VAL 854 Cb 0.54 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 1sr2 h VAL 854 CO 1.40 0.00 0.62 -0.65 0.02 0.00 0.00 177.57 178.95 1sr2 h PRO 855 N -0.54 0.96 -0.49 1.57 0.11 -1.97 0.28 132.00 131.91 1sr2 h PRO 855 Ca -0.00 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 1sr2 h PRO 855 Cb 0.51 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 1sr2 h PRO 855 CO -0.06 0.64 0.05 0.78 -0.21 0.00 0.00 178.00 179.19 1sr2 h GLY 856 N 0.99 0.91 1.00 -0.55 0.00 -1.82 -1.13 103.07 102.48 1sr2 h GLY 856 Ca 0.45 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1sr2 h GLY 856 CO -0.21 0.58 0.35 1.70 0.00 0.00 0.00 176.54 178.97 1sr2 h LYS 857 N 0.71 0.96 -0.84 4.80 3.64 0.28 -1.51 116.57 124.60 1sr2 h LYS 857 Ca 0.15 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1sr2 h LYS 857 Cb 0.45 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 1sr2 h LYS 857 CO 0.02 0.73 0.55 0.37 -2.27 0.00 0.00 179.45 178.85 1sr2 h GLN 858 N 0.93 1.01 -0.52 1.90 4.15 -0.19 0.68 115.11 123.08 1sr2 h GLN 858 Ca 0.24 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 1sr2 h GLN 858 Cb 0.07 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1sr2 h GLN 858 CO -0.03 0.67 0.17 -0.07 -1.93 0.00 0.00 178.83 177.63 1sr2 h LEU 859 N 1.04 0.75 -1.00 -2.39 3.38 -0.59 -1.41 115.31 115.10 1sr2 h LEU 859 Ca 0.34 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1sr2 h LEU 859 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1sr2 h LEU 859 CO -0.10 0.76 0.01 0.00 0.09 0.00 0.00 178.44 179.20 1sr2 h GLU 861 N 0.69 0.15 -0.21 0.00 5.08 -0.68 -0.36 114.58 119.26 1sr2 h GLU 861 Ca 0.14 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1sr2 h GLU 861 Cb 0.41 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1sr2 h GLU 861 CO 0.01 0.31 -0.11 1.15 -1.00 0.00 0.00 179.01 179.38 1sr2 h THR 862 N -0.03 1.19 -0.41 1.13 2.02 -0.99 -2.00 112.91 113.83 1sr2 h THR 862 Ca 0.03 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1sr2 h THR 862 Cb 0.22 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1sr2 h THR 862 CO -0.00 0.27 0.26 0.25 0.37 0.00 0.00 175.52 176.67 1sr2 h LEU 863 N 0.32 0.47 -0.76 2.58 6.46 -0.04 0.88 115.31 125.22 1sr2 h LEU 863 Ca 0.07 -0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.87 1sr2 h LEU 863 Cb 0.40 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.14 1sr2 h LEU 863 CO 0.02 0.36 0.44 -0.08 -0.62 0.00 0.00 178.44 178.55 1sr2 h GLU 864 N 0.55 0.75 -0.63 1.25 4.81 -0.38 0.30 114.58 121.22 1sr2 h GLU 864 Ca 0.15 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1sr2 h GLU 864 Cb -0.05 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1sr2 h GLU 864 CO -0.03 0.50 0.11 1.25 -0.73 0.00 0.00 179.01 180.10 1sr2 h HIS 865 N 0.77 1.11 -0.23 0.92 2.76 -0.88 -0.17 115.15 119.44 1sr2 h HIS 865 Ca 0.35 -0.15 -0.08 0.00 -2.20 0.00 0.00 60.37 58.29 1sr2 h HIS 865 Cb 0.25 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1sr2 h HIS 865 CO -0.07 0.94 -0.21 -0.07 -1.30 0.00 0.00 177.93 177.22 1sr2 h LEU 866 N 0.95 0.40 -0.37 0.26 3.38 0.18 0.11 115.31 120.22 1sr2 h LEU 866 Ca 0.19 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1sr2 h LEU 866 Cb 0.43 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1sr2 h LEU 866 CO 0.01 0.63 -0.16 0.40 0.09 0.00 0.00 178.44 179.40 1sr2 h ILE 867 N 0.37 1.28 -0.18 1.22 2.04 -0.08 0.10 117.51 122.27 1sr2 h ILE 867 Ca 0.06 -1.28 -0.10 0.00 1.00 0.00 0.00 64.86 64.54 1sr2 h ILE 867 Cb 0.58 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1sr2 h ILE 867 CO 0.04 0.42 -0.31 0.08 0.00 0.00 0.00 178.15 178.39 1sr2 h ARG 868 N 0.56 0.35 0.00 2.37 -0.00 -0.66 -1.78 114.38 115.21 1sr2 h ARG 868 Ca 0.08 -0.14 0.00 0.00 -0.00 0.00 0.00 59.98 59.93 1sr2 h ARG 868 Cb 0.70 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.66 1sr2 h ARG 868 CO 0.05 0.63 0.00 -1.91 -0.00 0.00 0.00 179.97 178.74 1sr2 n GLU 869 N -4.10 0.15 -3.21 0.08 4.07 0.33 -4.91 120.64 113.05 1sr2 n GLU 869 Ca -0.01 0.20 -0.16 0.00 -0.06 0.00 0.00 57.16 57.13 1sr2 n GLU 869 Cb 0.42 -1.70 0.06 0.00 -0.06 0.00 0.00 31.44 30.17 1sr2 n GLU 869 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1sr2 n LYS 870 N -1.96 -5.49 -3.33 5.31 4.76 -0.55 -4.97 118.16 111.93 1sr2 n LYS 870 Ca 0.05 0.61 -0.47 0.00 -2.87 0.00 0.00 58.31 55.64 1sr2 n LYS 870 Cb 0.34 -4.98 -0.02 0.00 -1.84 0.00 0.00 35.03 28.53 1sr2 n LYS 870 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1sr2 s ASP 871 N -3.52 6.89 0.10 4.39 -1.08 0.25 -4.93 116.67 118.77 1sr2 s ASP 871 Ca 0.27 -2.89 -0.23 0.00 -0.52 0.00 0.00 52.55 49.18 1sr2 s ASP 871 Cb -0.12 -2.21 -0.12 0.00 -1.46 0.00 0.00 42.92 39.01 1sr2 s ASP 871 CO 0.53 -0.51 1.72 0.58 0.52 0.00 0.00 175.17 178.02 1sr2 h VAL 872 N 4.54 0.91 -0.69 1.11 2.07 -1.94 -1.23 116.25 121.02 1sr2 h VAL 872 Ca 0.13 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.78 1sr2 h VAL 872 Cb 1.00 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 31.59 1sr2 h VAL 872 CO 0.81 0.00 0.23 1.55 0.02 0.00 0.00 177.57 180.18 1sr2 h PRO 873 N -0.04 0.36 -0.79 1.57 0.13 -1.98 -1.36 132.00 129.88 1sr2 h PRO 873 Ca 0.02 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 1sr2 h PRO 873 Cb 0.07 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1sr2 h PRO 873 CO -0.05 0.24 0.33 0.78 -0.23 0.00 0.00 178.00 179.07 1sr2 h GLY 874 N 0.37 1.26 0.98 1.56 0.00 -1.85 -1.03 103.07 104.35 1sr2 h GLY 874 Ca 0.38 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1sr2 h GLY 874 CO -0.41 0.63 -0.23 -2.22 0.00 0.00 0.00 176.54 174.31 1sr2 h ILE 875 N 1.14 0.52 -0.29 2.60 2.04 -0.21 -0.00 117.51 123.31 1sr2 h ILE 875 Ca 0.27 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.05 1sr2 h ILE 875 Cb 0.19 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1sr2 h ILE 875 CO -0.03 0.00 -0.12 1.05 0.00 0.00 0.00 178.15 179.05 1sr2 h GLU 876 N -0.63 0.49 -0.46 2.37 -0.00 -1.24 -0.52 114.58 114.59 1sr2 h GLU 876 Ca -0.06 -0.14 -0.05 0.00 -0.00 0.00 0.00 59.36 59.11 1sr2 h GLU 876 Cb 0.49 -0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 29.17 1sr2 h GLU 876 CO 0.09 0.61 0.09 0.87 -0.00 0.00 0.00 179.01 180.67 1sr2 h LYS 877 N 0.45 0.75 -0.16 1.06 1.57 -0.98 -0.81 116.57 118.45 1sr2 h LYS 877 Ca 0.08 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1sr2 h LYS 877 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1sr2 h LYS 877 CO 0.03 0.75 -0.44 1.88 -0.57 0.00 0.00 179.45 181.11 1sr2 h TYR 878 N 0.62 0.47 -0.62 -1.35 -1.99 -0.61 -0.27 116.97 113.22 1sr2 h TYR 878 Ca 0.14 -0.14 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1sr2 h TYR 878 Cb 0.36 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 1sr2 h TYR 878 CO 0.02 0.77 0.37 0.82 -0.00 0.00 0.00 178.16 180.14 1sr2 h ILE 879 N 0.32 1.18 -0.05 -2.88 2.04 -0.82 0.24 117.51 117.53 1sr2 h ILE 879 Ca 0.02 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 1sr2 h ILE 879 Cb 0.90 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1sr2 h ILE 879 CO 0.08 0.19 -0.36 0.28 0.00 0.00 0.00 178.15 178.34 1sr2 h SER 880 N 0.84 0.10 0.24 1.72 0.02 -0.73 -0.12 113.55 115.62 1sr2 h SER 880 Ca 0.22 -0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.94 1sr2 h SER 880 Cb -0.02 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1sr2 h SER 880 CO -0.04 0.46 -0.76 0.44 -1.14 0.00 0.00 176.83 175.79 1sr2 h ASP 881 N 0.09 0.52 0.12 3.07 3.32 -0.43 -0.89 116.42 122.21 1sr2 h ASP 881 Ca 0.01 -0.35 -0.11 0.00 0.02 0.00 0.00 57.03 56.60 1sr2 h ASP 881 Cb 0.68 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1sr2 h ASP 881 CO 0.05 1.10 -0.36 0.40 -1.72 0.00 0.00 179.24 178.71 1sr2 h ILE 882 N 0.29 1.29 -0.10 0.35 2.04 -0.19 -0.83 117.51 120.36 1sr2 h ILE 882 Ca -0.04 -1.44 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 1sr2 h ILE 882 Cb 1.35 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1sr2 h ILE 882 CO 0.13 0.44 -0.12 -0.78 0.00 0.00 0.00 178.15 177.83 1sr2 h ASP 883 N 0.29 0.27 -0.72 1.72 3.58 -0.79 0.82 116.42 121.60 1sr2 h ASP 883 Ca 0.03 -0.50 -0.03 0.00 0.42 0.00 0.00 57.03 56.95 1sr2 h ASP 883 Cb 0.78 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 1sr2 h ASP 883 CO 0.06 0.72 0.33 0.77 -2.88 0.00 0.00 179.24 178.24 1sr2 h SER 884 N -0.17 0.98 0.51 2.28 4.64 -1.16 0.20 113.55 120.83 1sr2 h SER 884 Ca 0.01 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1sr2 h SER 884 Cb 0.65 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1sr2 h SER 884 CO 0.03 0.84 -0.25 0.22 -0.87 0.00 0.00 176.83 176.80 1sr2 h TYR 885 N 1.06 -0.64 -0.19 4.77 3.20 -0.92 -1.91 116.97 122.35 1sr2 h TYR 885 Ca 0.25 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 1sr2 h TYR 885 Cb 0.14 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1sr2 h TYR 885 CO 0.01 -0.34 -0.03 0.28 -1.64 0.00 0.00 178.16 176.45 1sr2 h VAL 886 N -0.83 1.14 -0.66 1.81 2.07 -0.73 -0.65 116.25 118.40 1sr2 h VAL 886 Ca -0.07 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 66.94 1sr2 h VAL 886 Cb 0.59 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 1sr2 h VAL 886 CO 0.12 0.18 0.39 0.11 0.02 0.00 0.00 177.57 178.39 1sr2 h LYS 887 N 0.27 0.73 0.00 1.57 1.57 -0.27 0.37 116.57 120.81 1sr2 h LYS 887 Ca 0.06 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1sr2 h LYS 887 Cb 0.23 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1sr2 h LYS 887 CO 0.01 0.48 -0.62 0.77 -0.57 0.00 0.00 179.45 179.52 1sr2 h SER 888 N 0.75 0.00 1.14 0.86 0.02 -0.53 -3.28 113.55 112.51 1sr2 h SER 888 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1sr2 h SER 888 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1sr2 h SER 888 CO -0.14 0.53 -0.58 -0.07 -1.14 0.00 0.00 176.83 175.43 1sr2 h LEU 889 N 0.00 0.00 0.00 5.07 3.38 -0.74 -3.52 115.31 119.50 1sr2 h LEU 889 Ca -0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1sr2 h LEU 889 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1sr2 h LEU 889 CO 0.07 0.05 0.00 0.18 0.09 0.00 0.00 178.44 178.82