#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr2 s GLN 776 N 0.00 1.71 0.00 2.12 0.74 -1.26 -4.81 119.66 118.16 1sr2 s GLN 776 Ca 0.00 -1.36 0.00 0.00 0.05 0.00 0.00 55.36 54.05 1sr2 s GLN 776 Cb 0.00 -2.81 0.00 0.00 1.10 0.00 0.00 33.01 31.30 1sr2 s GLN 776 CO 0.00 -0.72 0.00 0.39 -0.55 0.00 0.00 175.29 174.41 1sr2 n GLU 777 N 4.49 0.00 -2.33 1.67 1.02 -1.26 -4.76 120.64 119.47 1sr2 n GLU 777 Ca -0.07 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.64 1sr2 n GLU 777 Cb 0.43 -0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 1sr2 n GLU 777 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sr2 n ALA 778 N 0.00 4.57 -0.49 0.62 0.00 -1.26 -4.77 120.51 119.17 1sr2 n ALA 778 Ca 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.43 1sr2 n ALA 778 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 19.45 16.07 1sr2 n ALA 778 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sr2 n VAL 779 N 5.11 0.00 0.00 0.00 0.31 -1.26 -4.71 118.33 117.78 1sr2 n VAL 779 Ca 0.46 0.71 0.00 0.00 -0.01 0.00 0.00 64.34 65.51 1sr2 n VAL 779 Cb 0.41 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1sr2 n VAL 779 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1sr2 n LEU 780 N -1.26 0.00 0.00 7.52 4.77 -1.26 -4.46 117.00 122.31 1sr2 n LEU 780 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sr2 n LEU 780 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sr2 n LEU 780 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1sr2 n GLN 781 N 0.00 0.00 0.00 3.23 1.13 -1.26 -5.11 117.38 115.37 1sr2 n GLN 781 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1sr2 n GLN 781 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1sr2 n GLN 781 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1sr2 n LEU 782 N 0.00 -0.01 0.00 1.08 -0.00 -1.26 -5.10 117.00 111.70 1sr2 n LEU 782 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 1sr2 n LEU 782 Cb 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 1sr2 n LEU 782 CO 0.00 -0.00 0.00 -0.38 -0.00 0.00 0.00 177.39 177.01 1sr2 n ILE 783 N -2.42 0.00 0.00 1.47 2.08 -1.26 -5.10 119.36 114.13 1sr2 n ILE 783 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1sr2 n ILE 783 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1sr2 n ILE 783 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1sr2 n GLU 784 N 0.00 0.00 -0.89 0.38 0.28 -1.26 -4.91 120.64 114.24 1sr2 n GLU 784 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 1sr2 n GLU 784 Cb 0.00 -0.01 0.25 0.00 1.43 0.00 0.00 31.44 33.10 1sr2 n GLU 784 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1sr2 n VAL 785 N -2.35 2.76 0.00 3.84 0.24 -1.26 -5.02 118.33 116.54 1sr2 n VAL 785 Ca 0.00 -2.04 0.00 0.00 -2.04 0.00 0.00 64.34 60.26 1sr2 n VAL 785 Cb 0.00 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 1sr2 n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sr2 n GLN 786 N -0.66 0.00 0.31 7.34 1.13 -1.26 -0.58 117.38 123.66 1sr2 n GLN 786 Ca 0.39 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.29 1sr2 n GLN 786 Cb 1.25 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 31.52 1sr2 n GLN 786 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1sr2 h LEU 787 N 0.00 -0.68 0.00 1.08 4.07 -2.02 -3.46 115.31 114.31 1sr2 h LEU 787 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1sr2 h LEU 787 Cb 0.00 0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1sr2 h LEU 787 CO 0.00 -0.35 0.00 0.00 -1.08 0.00 0.00 178.44 177.01 1sr2 n ALA 788 N -2.57 0.00 -3.36 1.53 0.00 -0.52 -4.98 120.51 110.61 1sr2 n ALA 788 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 1sr2 n ALA 788 Cb 0.35 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 -1.51 -1.98 0.00 7.27 0.26 -4.98 117.38 116.44 1sr2 n GLN 789 Ca 0.00 1.02 -0.29 0.00 0.07 0.00 0.00 57.00 57.80 1sr2 n GLN 789 Cb 0.00 -4.84 0.17 0.00 2.41 0.00 0.00 30.24 27.99 1sr2 n GLN 789 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1sr2 s GLU 790 N -4.27 0.81 0.01 3.69 0.41 -1.26 -5.10 118.70 112.99 1sr2 s GLU 790 Ca 0.20 -0.42 -0.01 0.00 -0.41 0.00 0.00 54.97 54.33 1sr2 s GLU 790 Cb -0.05 -1.89 -0.01 0.00 -1.78 0.00 0.00 34.13 30.40 1sr2 s GLU 790 CO 0.80 -2.29 0.01 -2.00 -0.49 0.00 0.00 175.26 171.29 1sr2 s GLU 791 N -5.81 0.22 -0.04 1.61 -6.30 -1.26 -5.02 118.70 102.09 1sr2 s GLU 791 Ca 0.73 -0.34 0.08 0.00 -2.50 0.00 0.00 54.97 52.94 1sr2 s GLU 791 Cb -0.04 0.08 0.32 0.00 0.00 0.00 0.00 34.13 34.48 1sr2 s GLU 791 CO 0.52 -0.04 1.16 1.33 0.02 0.00 0.00 175.26 178.25 1sr2 n VAL 792 N 2.15 0.75 -3.21 3.70 0.24 -1.26 -4.88 118.33 115.82 1sr2 n VAL 792 Ca -0.19 -0.51 -0.15 0.00 -2.04 0.00 0.00 64.34 61.45 1sr2 n VAL 792 Cb 0.57 -0.04 0.08 0.00 -1.47 0.00 0.00 33.84 32.98 1sr2 n VAL 792 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1sr2 n THR 793 N 0.38 -4.92 0.02 3.34 -1.04 -1.26 -4.90 114.28 105.90 1sr2 n THR 793 Ca 0.11 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1sr2 n THR 793 Cb 0.43 -4.55 0.00 0.00 -1.82 0.00 0.00 70.33 64.39 1sr2 n THR 793 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1sr2 n GLU 794 N -3.67 0.00 -3.03 -2.82 4.07 -1.26 -5.11 120.64 108.82 1sr2 n GLU 794 Ca -0.23 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 56.77 1sr2 n GLU 794 Cb 0.64 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 32.03 1sr2 n GLU 794 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1sr2 n SER 795 N -2.62 -7.15 -4.52 4.31 7.64 -1.26 -4.74 113.62 105.28 1sr2 n SER 795 Ca 0.00 0.65 -0.44 0.00 1.01 0.00 0.00 58.87 60.09 1sr2 n SER 795 Cb 0.00 -3.65 -0.05 0.00 -1.01 0.00 0.00 64.21 59.49 1sr2 n SER 795 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1sr2 n PRO 796 N 0.45 1.26 0.00 1.43 -0.02 -1.26 -4.38 135.00 132.48 1sr2 n PRO 796 Ca 0.01 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1sr2 n PRO 796 Cb 0.37 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 1sr2 n PRO 796 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1sr2 n LEU 797 N 12.00 0.00 0.00 2.45 4.77 -1.26 -4.72 117.00 130.24 1sr2 n LEU 797 Ca 0.39 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1sr2 n LEU 797 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1sr2 n LEU 797 CO 0.73 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1sr2 n GLY 798 N 0.00 0.92 2.51 -0.72 0.00 -1.26 -5.05 105.19 101.59 1sr2 n GLY 798 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1sr2 n GLY 798 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sr2 n GLY 799 N 0.00 4.29 3.35 -0.02 0.00 -1.26 -4.96 105.19 106.59 1sr2 n GLY 799 Ca 0.00 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.68 1sr2 n GLY 799 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sr2 n ASP 800 N -0.38 -5.97 -0.14 1.61 9.92 -1.26 -4.73 116.55 115.61 1sr2 n ASP 800 Ca 0.27 -0.76 -0.04 0.00 -0.53 0.00 0.00 54.79 53.73 1sr2 n ASP 800 Cb 0.76 -4.85 0.04 0.00 -0.64 0.00 0.00 41.12 36.43 1sr2 n ASP 800 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1sr2 h GLU 801 N -1.30 0.24 -0.23 -1.24 3.07 -1.95 0.87 114.58 114.04 1sr2 h GLU 801 Ca -0.62 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.15 1sr2 h GLU 801 Cb 1.32 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 1sr2 h GLU 801 CO 0.45 0.16 -0.21 -2.95 -1.40 0.00 0.00 179.01 175.07 1sr2 h ASN 802 N 0.25 0.41 0.07 1.42 7.08 -1.91 -0.79 115.58 122.12 1sr2 h ASN 802 Ca 0.21 -0.12 -0.19 0.00 -3.08 0.00 0.00 56.30 53.12 1sr2 h ASN 802 Cb 0.25 -0.11 -0.00 0.00 -2.08 0.00 0.00 38.32 36.38 1sr2 h ASN 802 CO -0.26 0.63 -0.69 0.00 -2.08 0.00 0.00 177.43 175.03 1sr2 h ALA 803 N 1.41 0.54 -0.14 4.14 0.00 -1.66 -0.13 119.26 123.42 1sr2 h ALA 803 Ca 0.06 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1sr2 h ALA 803 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1sr2 h ALA 803 CO 0.04 0.72 0.05 1.96 0.00 0.00 0.00 179.25 182.02 1sr2 h GLN 804 N 0.40 0.21 0.00 0.00 1.08 -0.47 0.11 115.11 116.45 1sr2 h GLN 804 Ca -0.03 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 1sr2 h GLN 804 Cb 1.27 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1sr2 h GLN 804 CO 0.13 0.31 -0.16 1.37 -0.95 0.00 0.00 178.83 179.53 1sr2 h LEU 805 N 0.07 0.00 -0.13 1.46 -0.00 -1.12 -1.92 115.31 113.67 1sr2 h LEU 805 Ca 0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.71 1sr2 h LEU 805 Cb 0.18 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1sr2 h LEU 805 CO -0.00 0.16 -0.77 -0.74 -0.00 0.00 0.00 178.44 177.09 1sr2 h HIS 806 N 0.00 1.02 -0.29 0.17 2.76 -0.60 -0.86 115.15 117.35 1sr2 h HIS 806 Ca -0.00 -0.46 -0.07 0.00 -2.20 0.00 0.00 60.37 57.63 1sr2 h HIS 806 Cb 0.55 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 1sr2 h HIS 806 CO 0.00 1.29 -0.12 0.00 -1.30 0.00 0.00 177.93 177.80 1sr2 h ALA 807 N 0.52 1.25 0.00 5.26 0.00 -0.11 -0.62 119.26 125.56 1sr2 h ALA 807 Ca -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1sr2 h ALA 807 Cb 1.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1sr2 h ALA 807 CO 0.16 0.49 0.00 0.66 0.00 0.00 0.00 179.25 180.56 1sr2 h SER 808 N 0.46 0.00 0.00 0.00 4.64 -1.42 -3.46 113.55 113.76 1sr2 h SER 808 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1sr2 h SER 808 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1sr2 h SER 808 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1sr2 n GLY 809 N 0.24 0.78 0.35 -0.77 0.00 -0.24 -4.94 105.19 100.61 1sr2 n GLY 809 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.30 0.00 0.20 1.61 4.01 -0.40 -3.68 117.16 116.59 1sr2 n TYR 810 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1sr2 n TYR 810 Cb 0.00 -0.08 0.50 0.00 -0.31 0.00 0.00 39.34 39.45 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 1.74 0.07 0.00 -0.72 3.20 -1.62 -0.56 116.97 119.08 1sr2 h TYR 811 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1sr2 h TYR 811 Cb 0.54 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1sr2 h TYR 811 CO 0.00 0.19 -0.19 0.00 -1.64 0.00 0.00 178.16 176.52 1sr2 h ALA 812 N 1.81 1.27 0.19 1.82 0.00 -1.88 -1.67 119.26 120.80 1sr2 h ALA 812 Ca 0.01 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 1sr2 h ALA 812 Cb 0.26 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1sr2 h ALA 812 CO 0.02 0.24 -1.54 1.25 0.00 0.00 0.00 179.25 179.22 1sr2 h LEU 813 N 0.00 0.62 -0.17 0.00 6.46 -1.39 -3.19 115.31 117.64 1sr2 h LEU 813 Ca -0.00 -0.77 0.02 0.00 -0.12 0.00 0.00 57.88 57.01 1sr2 h LEU 813 Cb 0.48 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1sr2 h LEU 813 CO 0.03 1.62 0.02 0.15 -0.62 0.00 0.00 178.44 179.64 1sr2 h PHE 814 N 0.11 0.03 -0.00 1.25 3.57 -0.66 -1.19 116.94 120.05 1sr2 h PHE 814 Ca -0.26 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1sr2 h PHE 814 Cb 2.09 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.84 1sr2 h PHE 814 CO 0.10 0.00 -0.00 1.33 -2.23 0.00 0.00 178.31 177.51 1sr2 n VAL 815 N -5.10 0.00 -0.05 1.41 0.24 -0.68 -2.89 118.33 111.26 1sr2 n VAL 815 Ca -0.03 -0.01 -0.04 0.00 -2.04 0.00 0.00 64.34 62.22 1sr2 n VAL 815 Cb 0.08 -0.46 -0.01 0.00 -1.47 0.00 0.00 33.84 31.98 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 -0.96 1.08 -0.03 -1.34 2.03 -0.54 -4.70 116.55 112.09 1sr2 n ASP 816 Ca 0.24 0.30 -0.11 0.00 0.52 0.00 0.00 54.79 55.73 1sr2 n ASP 816 Cb 0.12 -0.67 -0.14 0.00 -0.72 0.00 0.00 41.12 39.71 1sr2 n ASP 816 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1sr2 n THR 817 N -3.62 1.60 0.28 5.18 5.66 -0.65 -4.05 114.28 118.69 1sr2 n THR 817 Ca -0.07 -0.77 -0.16 0.00 -3.05 0.00 0.00 64.05 60.00 1sr2 n THR 817 Cb 0.24 -1.08 -0.08 0.00 -1.55 0.00 0.00 70.33 67.85 1sr2 n THR 817 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1sr2 h VAL 818 N 0.01 0.51 -0.30 1.08 2.07 -1.68 0.66 116.25 118.60 1sr2 h VAL 818 Ca -0.36 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1sr2 h VAL 818 Cb 2.05 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1sr2 h VAL 818 CO 0.07 0.00 0.20 -0.65 0.02 0.00 0.00 177.57 177.21 1sr2 h PRO 819 N -0.66 0.25 -0.05 1.57 0.11 -1.78 0.22 132.00 131.65 1sr2 h PRO 819 Ca -0.07 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.90 1sr2 h PRO 819 Cb 0.51 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.57 1sr2 h PRO 819 CO 0.11 0.17 -0.48 0.22 -0.21 0.00 0.00 178.00 177.80 1sr2 h ASP 820 N 0.26 0.50 -0.27 -2.05 3.58 -1.51 -0.27 116.42 116.67 1sr2 h ASP 820 Ca 0.13 -0.70 -0.06 0.00 0.42 0.00 0.00 57.03 56.81 1sr2 h ASP 820 Cb 0.19 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1sr2 h ASP 820 CO -0.03 1.13 -0.03 0.44 -2.88 0.00 0.00 179.24 177.88 1sr2 h ASP 821 N -0.08 0.58 -0.46 2.28 3.32 0.66 0.33 116.42 123.05 1sr2 h ASP 821 Ca -0.05 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1sr2 h ASP 821 Cb 1.16 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1sr2 h ASP 821 CO 0.10 0.67 0.08 0.58 -1.72 0.00 0.00 179.24 178.95 1sr2 h VAL 822 N 0.57 1.24 -0.68 -1.35 2.07 -0.55 0.19 116.25 117.76 1sr2 h VAL 822 Ca 0.12 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 1sr2 h VAL 822 Cb 0.41 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1sr2 h VAL 822 CO 0.02 0.31 0.31 0.50 0.02 0.00 0.00 177.57 178.73 1sr2 h LYS 823 N 0.63 0.97 -0.18 1.57 3.64 -0.37 -0.61 116.57 122.21 1sr2 h LYS 823 Ca 0.14 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sr2 h LYS 823 Cb 0.37 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1sr2 h LYS 823 CO 0.01 0.76 0.12 0.00 -2.27 0.00 0.00 179.45 178.07 1sr2 h ARG 824 N 0.96 0.25 -0.64 1.90 3.08 0.05 -0.92 114.38 119.05 1sr2 h ARG 824 Ca 0.23 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.37 1sr2 h ARG 824 Cb 0.13 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.05 1sr2 h ARG 824 CO -0.03 0.18 0.24 -0.07 -1.07 0.00 0.00 179.97 179.22 1sr2 h LEU 825 N 0.24 0.23 -0.77 3.04 3.38 0.10 0.41 115.31 121.93 1sr2 h LEU 825 Ca 0.07 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1sr2 h LEU 825 Cb -0.01 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1sr2 h LEU 825 CO -0.01 0.13 0.45 1.88 0.09 0.00 0.00 178.44 180.98 1sr2 h TYR 826 N 0.42 0.83 -0.09 1.13 0.05 -0.79 -0.14 116.97 118.37 1sr2 h TYR 826 Ca 0.33 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 59.07 1sr2 h TYR 826 Cb 0.42 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1sr2 h TYR 826 CO -0.17 0.40 -0.20 1.15 -1.05 0.00 0.00 178.16 178.28 1sr2 h THR 827 N 0.81 1.40 -0.09 -2.88 2.02 0.58 -1.94 112.91 112.82 1sr2 h THR 827 Ca 0.35 -1.51 -0.10 0.00 0.77 0.00 0.00 66.41 65.92 1sr2 h THR 827 Cb 0.22 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1sr2 h THR 827 CO -0.19 0.43 -0.39 -0.33 0.37 0.00 0.00 175.52 175.41 1sr2 h GLU 828 N -0.15 0.18 -0.27 6.66 4.39 -0.23 -1.65 114.58 123.51 1sr2 h GLU 828 Ca 0.00 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1sr2 h GLU 828 Cb 0.80 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1sr2 h GLU 828 CO 0.04 0.55 0.10 0.00 -1.16 0.00 0.00 179.01 178.55 1sr2 h ALA 829 N 1.44 0.35 0.00 3.43 0.00 -0.97 -0.36 119.26 123.16 1sr2 h ALA 829 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1sr2 h ALA 829 Cb 0.77 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1sr2 h ALA 829 CO 0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 179.25 179.12 1sr2 h ALA 830 N 0.94 1.59 -0.00 0.00 0.00 -0.96 -0.42 119.26 120.41 1sr2 h ALA 830 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sr2 h ALA 830 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sr2 h ALA 830 CO -0.01 0.19 -0.24 2.41 0.00 0.00 0.00 179.25 181.60 1sr2 n THR 831 N -4.12 0.00 -2.60 0.00 -1.04 -0.65 -4.92 114.28 100.95 1sr2 n THR 831 Ca -0.02 -0.01 -0.19 0.00 -2.04 0.00 0.00 64.05 61.78 1sr2 n THR 831 Cb 0.23 -0.09 0.01 0.00 -1.82 0.00 0.00 70.33 68.66 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 -1.40 -5.54 -4.30 8.00 7.64 -0.17 -4.92 113.62 112.94 1sr2 n SER 832 Ca 0.08 -0.12 -0.44 0.00 1.01 0.00 0.00 58.87 59.40 1sr2 n SER 832 Cb 0.33 -4.50 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 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 -1.79 5.50 0.21 6.43 -0.08 -0.28 -4.83 116.55 121.70 1sr2 n ASP 833 Ca -0.17 -3.07 0.11 0.00 -1.51 0.00 0.00 54.79 50.14 1sr2 n ASP 833 Cb 0.64 -1.44 0.66 0.00 2.34 0.00 0.00 41.12 43.32 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 6.58 0.00 -0.71 -0.67 0.04 -1.91 0.18 116.94 120.44 1sr2 h PHE 834 Ca 0.25 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.96 1sr2 h PHE 834 Cb 0.82 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 1sr2 h PHE 834 CO 0.95 0.00 0.23 0.00 -0.60 0.00 0.00 178.31 178.89 1sr2 h ALA 835 N 1.94 1.05 -0.02 2.45 0.00 -1.96 0.88 119.26 123.60 1sr2 h ALA 835 Ca 0.05 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 1sr2 h ALA 835 Cb 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1sr2 h ALA 835 CO -0.00 0.64 -0.88 0.00 0.00 0.00 0.00 179.25 179.01 1sr2 h ALA 836 N 1.19 0.44 -0.19 0.00 0.00 -1.37 -1.61 119.26 117.72 1sr2 h ALA 836 Ca 0.23 -0.68 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1sr2 h ALA 836 Cb 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1sr2 h ALA 836 CO -0.01 0.81 0.04 1.25 0.00 0.00 0.00 179.25 181.34 1sr2 h LEU 837 N 0.24 0.01 -1.07 0.00 5.85 -0.44 0.17 115.31 120.07 1sr2 h LEU 837 Ca -0.06 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1sr2 h LEU 837 Cb 1.50 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 1sr2 h LEU 837 CO 0.15 0.03 0.29 0.00 -0.34 0.00 0.00 178.44 178.58 1sr2 h ALA 838 N 1.14 1.27 -0.32 1.25 0.00 -0.75 0.23 119.26 122.09 1sr2 h ALA 838 Ca 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1sr2 h ALA 838 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1sr2 h ALA 838 CO -0.11 0.55 0.10 1.96 0.00 0.00 0.00 179.25 181.75 1sr2 h GLN 839 N 0.94 0.49 -0.13 0.00 1.08 -0.77 0.43 115.11 117.15 1sr2 h GLN 839 Ca 0.23 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 57.20 1sr2 h GLN 839 Cb 0.14 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1sr2 h GLN 839 CO -0.03 0.53 -0.45 1.15 -0.95 0.00 0.00 178.83 179.08 1sr2 h THR 840 N 0.36 1.32 -0.64 -0.54 2.02 -0.29 -0.35 112.91 114.80 1sr2 h THR 840 Ca 0.10 -1.64 -0.05 0.00 0.77 0.00 0.00 66.41 65.60 1sr2 h THR 840 Cb 0.24 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1sr2 h THR 840 CO -0.00 0.49 0.21 0.00 0.37 0.00 0.00 175.52 176.59 1sr2 h ALA 841 N 1.26 0.83 -0.23 6.16 0.00 -0.37 -0.48 119.26 126.43 1sr2 h ALA 841 Ca 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1sr2 h ALA 841 Cb 0.91 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1sr2 h ALA 841 CO 0.07 0.50 -0.05 1.25 0.00 0.00 0.00 179.25 181.03 1sr2 h HIS 842 N 0.91 0.36 -0.00 0.00 6.17 -0.55 0.16 115.15 122.21 1sr2 h HIS 842 Ca 0.21 -0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.25 1sr2 h HIS 842 Cb 0.28 -0.11 -0.00 0.00 2.52 0.00 0.00 27.41 30.11 1sr2 h HIS 842 CO 0.02 0.41 0.00 -0.09 0.71 0.00 0.00 177.93 178.98 1sr2 h ARG 843 N 0.34 0.00 -0.51 5.26 1.12 -0.31 0.79 114.38 121.07 1sr2 h ARG 843 Ca 0.07 -0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.84 1sr2 h ARG 843 Cb 0.31 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.25 1sr2 h ARG 843 CO 0.01 0.23 -0.07 -0.07 -3.11 0.00 0.00 179.97 176.96 1sr2 h LEU 844 N -0.22 0.95 -0.65 3.80 4.07 -0.82 0.80 115.31 123.24 1sr2 h LEU 844 Ca 0.00 -0.34 0.05 0.00 0.08 0.00 0.00 57.88 57.67 1sr2 h LEU 844 Cb 0.23 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.66 1sr2 h LEU 844 CO 0.00 1.07 0.37 0.50 -1.08 0.00 0.00 178.44 179.30 1sr2 h LYS 845 N 0.82 0.68 -0.29 1.13 3.64 -0.66 -0.90 116.57 120.99 1sr2 h LYS 845 Ca 0.14 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 1sr2 h LYS 845 Cb 0.62 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1sr2 h LYS 845 CO 0.04 0.45 -0.31 0.78 -2.27 0.00 0.00 179.45 178.14 1sr2 h GLY 846 N 0.70 0.79 1.21 5.01 0.00 -0.30 -1.18 103.07 109.31 1sr2 h GLY 846 Ca 0.28 -0.82 -0.16 0.00 0.00 0.00 0.00 47.33 46.63 1sr2 h GLY 846 CO -0.16 0.74 -0.43 -0.39 0.00 0.00 0.00 176.54 176.30 1sr2 h VAL 847 N 0.47 1.28 -0.39 4.60 -1.51 -0.69 -0.44 116.25 119.56 1sr2 h VAL 847 Ca 0.04 -1.62 -0.15 0.00 -1.23 0.00 0.00 66.70 63.75 1sr2 h VAL 847 Cb 0.89 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 1sr2 h VAL 847 CO 0.08 0.53 -0.34 -0.26 -1.23 0.00 0.00 177.57 176.35 1sr2 h PHE 848 N 0.68 1.07 -0.14 5.19 0.04 -1.19 -1.52 116.94 121.08 1sr2 h PHE 848 Ca 0.04 -0.30 -0.03 0.00 2.80 0.00 0.00 57.97 60.48 1sr2 h PHE 848 Cb 1.02 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.92 1sr2 h PHE 848 CO 0.06 1.11 -0.07 0.00 -0.60 0.00 0.00 178.31 178.82 1sr2 h ALA 849 N 0.85 1.64 -0.27 2.45 0.00 -1.10 0.44 119.26 123.28 1sr2 h ALA 849 Ca 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1sr2 h ALA 849 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1sr2 h ALA 849 CO 0.09 0.27 -0.00 1.98 0.00 0.00 0.00 179.25 181.58 1sr2 h MET 850 N 0.20 0.47 0.00 0.00 1.85 -0.51 -2.36 114.93 114.57 1sr2 h MET 850 Ca 0.04 -0.15 0.00 0.00 -0.61 0.00 0.00 59.70 58.98 1sr2 h MET 850 Cb 0.25 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.24 1sr2 h MET 850 CO 0.01 0.64 0.00 1.28 -0.40 0.00 0.00 176.91 178.44 1sr2 n LEU 851 N -4.61 0.00 -0.25 3.39 4.77 -0.62 -4.86 117.00 114.81 1sr2 n LEU 851 Ca -0.03 0.47 -0.03 0.00 -0.03 0.00 0.00 56.01 56.39 1sr2 n LEU 851 Cb 0.25 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1sr2 n LEU 851 CO 0.38 -0.12 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.10 1sr2 n ASN 852 N -1.47 -2.57 -4.53 -1.43 2.85 0.33 -4.96 115.26 103.48 1sr2 n ASN 852 Ca 0.06 0.04 -0.43 0.00 -0.11 0.00 0.00 54.58 54.14 1sr2 n ASN 852 Cb 0.25 -1.07 -0.02 0.00 1.24 0.00 0.00 39.78 40.18 1sr2 n ASN 852 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1sr2 s LEU 853 N -0.69 4.16 0.08 1.20 1.43 0.13 -4.88 118.68 120.11 1sr2 s LEU 853 Ca 0.00 -2.10 -0.30 0.00 -1.03 0.00 0.00 54.13 50.70 1sr2 s LEU 853 Cb 0.00 -2.51 -0.16 0.00 0.03 0.00 0.00 46.19 43.55 1sr2 s LEU 853 CO 0.00 -1.20 1.65 0.58 0.23 0.00 0.00 176.35 177.61 1sr2 h VAL 854 N 5.92 0.48 -0.94 -1.59 2.07 -1.93 0.25 116.25 120.50 1sr2 h VAL 854 Ca 0.28 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.91 1sr2 h VAL 854 Cb 0.95 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 1sr2 h VAL 854 CO 1.34 0.00 0.60 1.55 0.02 0.00 0.00 177.57 181.08 1sr2 h PRO 855 N -0.65 0.89 -0.15 1.57 0.13 -1.97 0.34 132.00 132.15 1sr2 h PRO 855 Ca -0.05 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 1sr2 h PRO 855 Cb 0.53 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1sr2 h PRO 855 CO 0.06 0.59 -0.01 0.78 -0.23 0.00 0.00 178.00 179.19 1sr2 h GLY 856 N 0.91 0.29 1.14 1.56 0.00 -1.87 -0.10 103.07 105.01 1sr2 h GLY 856 Ca 0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1sr2 h GLY 856 CO -0.21 0.20 0.41 1.70 0.00 0.00 0.00 176.54 178.64 1sr2 h LYS 857 N 0.00 1.12 -0.66 4.80 3.64 -0.36 -1.96 116.57 123.15 1sr2 h LYS 857 Ca 0.04 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1sr2 h LYS 857 Cb 0.39 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1sr2 h LYS 857 CO 0.01 0.84 0.29 1.96 -2.27 0.00 0.00 179.45 180.28 1sr2 h GLN 858 N 1.12 0.95 -0.74 1.90 4.20 -0.10 0.23 115.11 122.65 1sr2 h GLN 858 Ca 0.28 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1sr2 h GLN 858 Cb 0.07 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 1sr2 h GLN 858 CO -0.04 0.75 0.45 -0.07 -0.67 0.00 0.00 178.83 179.25 1sr2 h LEU 859 N 0.94 0.89 -1.21 1.46 3.38 -0.38 -1.55 115.31 118.84 1sr2 h LEU 859 Ca 0.23 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1sr2 h LEU 859 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1sr2 h LEU 859 CO -0.03 0.69 -0.39 0.00 0.09 0.00 0.00 178.44 178.80 1sr2 h GLU 861 N 0.00 -0.19 -0.29 0.00 4.39 0.21 0.14 114.58 118.83 1sr2 h GLU 861 Ca -0.00 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1sr2 h GLU 861 Cb 0.70 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1sr2 h GLU 861 CO 0.05 -0.04 -0.06 1.15 -1.16 0.00 0.00 179.01 178.95 1sr2 h THR 862 N -0.30 1.21 -0.12 1.13 2.02 -1.14 0.49 112.91 116.19 1sr2 h THR 862 Ca -0.02 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1sr2 h THR 862 Cb 0.24 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1sr2 h THR 862 CO 0.03 0.29 0.07 0.25 0.37 0.00 0.00 175.52 176.52 1sr2 h LEU 863 N 0.45 0.15 -0.83 2.58 6.46 -0.84 0.27 115.31 123.55 1sr2 h LEU 863 Ca 0.09 -0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.82 1sr2 h LEU 863 Cb 0.39 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.22 1sr2 h LEU 863 CO 0.02 0.20 0.51 -0.08 -0.62 0.00 0.00 178.44 178.47 1sr2 h GLU 864 N 0.10 0.90 -0.84 1.25 4.81 -0.24 0.10 114.58 120.66 1sr2 h GLU 864 Ca 0.04 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1sr2 h GLU 864 Cb 0.08 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1sr2 h GLU 864 CO -0.01 0.60 0.43 1.25 -0.73 0.00 0.00 179.01 180.55 1sr2 h HIS 865 N 0.93 1.18 -0.39 0.92 2.76 -0.44 0.39 115.15 120.51 1sr2 h HIS 865 Ca 0.37 -0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.37 1sr2 h HIS 865 Cb 0.18 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 1sr2 h HIS 865 CO -0.04 0.84 -0.22 -0.07 -1.30 0.00 0.00 177.93 177.14 1sr2 h LEU 866 N 1.19 0.87 -0.41 0.26 3.38 0.67 -0.95 115.31 120.32 1sr2 h LEU 866 Ca 0.29 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1sr2 h LEU 866 Cb 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1sr2 h LEU 866 CO -0.04 1.10 -0.12 0.40 0.09 0.00 0.00 178.44 179.86 1sr2 h ILE 867 N 0.65 1.28 -0.08 1.22 2.04 -0.53 1.00 117.51 123.08 1sr2 h ILE 867 Ca 0.08 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 1sr2 h ILE 867 Cb 0.78 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1sr2 h ILE 867 CO 0.06 0.41 -0.18 0.08 0.00 0.00 0.00 178.15 178.53 1sr2 h ARG 868 N 0.62 0.13 -0.01 2.37 -0.00 -0.15 -1.02 114.38 116.32 1sr2 h ARG 868 Ca 0.10 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.05 1sr2 h ARG 868 Cb 0.66 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.61 1sr2 h ARG 868 CO 0.05 0.31 -0.20 0.39 -0.00 0.00 0.00 179.97 180.51 1sr2 n GLU 869 N -4.27 0.93 -3.59 0.08 -0.58 -0.37 -4.94 120.64 107.90 1sr2 n GLU 869 Ca -0.01 -0.53 -0.24 0.00 -0.42 0.00 0.00 57.16 55.96 1sr2 n GLU 869 Cb 0.28 -1.49 0.08 0.00 -0.57 0.00 0.00 31.44 29.74 1sr2 n GLU 869 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1sr2 n LYS 870 N -0.57 -7.95 -3.09 3.49 4.76 -0.38 -4.93 118.16 109.49 1sr2 n LYS 870 Ca 0.13 0.82 -0.45 0.00 -2.87 0.00 0.00 58.31 55.95 1sr2 n LYS 870 Cb 0.34 -5.87 -0.01 0.00 -1.84 0.00 0.00 35.03 27.66 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 -3.33 7.03 0.16 4.39 2.15 0.21 -4.92 116.67 122.36 1sr2 s ASP 871 Ca 0.58 -2.95 -0.24 0.00 0.43 0.00 0.00 52.55 50.37 1sr2 s ASP 871 Cb -0.26 -2.33 0.04 0.00 -0.30 0.00 0.00 42.92 40.07 1sr2 s ASP 871 CO 0.73 -0.66 1.60 0.58 -0.17 0.00 0.00 175.17 177.24 1sr2 h VAL 872 N 4.62 0.22 -0.88 1.11 2.07 -1.92 -0.05 116.25 121.42 1sr2 h VAL 872 Ca 0.23 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.83 1sr2 h VAL 872 Cb 0.92 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1sr2 h VAL 872 CO 1.10 0.00 0.53 1.55 0.02 0.00 0.00 177.57 180.77 1sr2 h PRO 873 N -0.28 0.89 -0.38 1.57 0.13 -1.98 -1.32 132.00 130.62 1sr2 h PRO 873 Ca 0.16 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.13 1sr2 h PRO 873 Cb 0.55 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1sr2 h PRO 873 CO -0.52 0.59 -0.20 0.78 -0.23 0.00 0.00 178.00 178.42 1sr2 h GLY 874 N 0.92 0.80 0.93 1.56 0.00 -1.75 -1.35 103.07 104.17 1sr2 h GLY 874 Ca 0.41 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1sr2 h GLY 874 CO -0.22 0.61 -0.34 -2.22 0.00 0.00 0.00 176.54 174.37 1sr2 h ILE 875 N 0.65 0.31 -0.13 2.60 2.04 0.07 -0.36 117.51 122.69 1sr2 h ILE 875 Ca 0.10 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 1sr2 h ILE 875 Cb 0.70 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1sr2 h ILE 875 CO 0.05 0.00 -0.27 1.05 0.00 0.00 0.00 178.15 178.98 1sr2 h GLU 876 N -0.89 0.23 -0.16 2.37 4.11 -1.39 -0.29 114.58 118.56 1sr2 h GLU 876 Ca -0.08 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.29 1sr2 h GLU 876 Cb 0.71 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1sr2 h GLU 876 CO 0.11 0.49 0.06 -0.22 0.07 0.00 0.00 179.01 179.52 1sr2 h LYS 877 N 0.21 0.14 -0.10 1.06 1.63 -1.04 -1.74 116.57 116.72 1sr2 h LYS 877 Ca 0.03 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.74 1sr2 h LYS 877 Cb 0.59 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 1sr2 h LYS 877 CO 0.04 0.09 -0.32 1.88 -3.45 0.00 0.00 179.45 177.70 1sr2 h TYR 878 N 0.15 0.22 -0.33 1.91 -1.99 -0.50 -1.28 116.97 115.14 1sr2 h TYR 878 Ca 0.07 -0.05 0.06 0.00 2.00 0.00 0.00 58.73 60.81 1sr2 h TYR 878 Cb 0.03 -0.05 -0.05 0.00 2.00 0.00 0.00 36.73 38.66 1sr2 h TYR 878 CO -0.11 0.50 -0.00 0.82 -0.00 0.00 0.00 178.16 179.37 1sr2 h ILE 879 N 0.17 0.76 -0.18 -2.88 1.08 -0.55 0.29 117.51 116.20 1sr2 h ILE 879 Ca 0.02 -0.03 -0.07 0.00 -0.39 0.00 0.00 64.86 64.39 1sr2 h ILE 879 Cb 0.66 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1sr2 h ILE 879 CO 0.05 0.02 -0.20 0.77 -0.69 0.00 0.00 178.15 178.09 1sr2 h SER 880 N 0.09 0.31 0.02 1.72 4.64 -0.76 0.20 113.55 119.78 1sr2 h SER 880 Ca 0.16 -0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.22 1sr2 h SER 880 Cb 0.21 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1sr2 h SER 880 CO -0.27 0.53 -0.62 0.44 -0.87 0.00 0.00 176.83 176.04 1sr2 h ASP 881 N 0.29 0.67 0.28 4.97 3.32 -0.37 0.20 116.42 125.78 1sr2 h ASP 881 Ca 0.05 -0.39 -0.13 0.00 0.02 0.00 0.00 57.03 56.59 1sr2 h ASP 881 Cb 0.52 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1sr2 h ASP 881 CO 0.03 1.13 -0.50 0.40 -1.72 0.00 0.00 179.24 178.58 1sr2 h ILE 882 N 0.44 1.35 -0.22 0.35 2.04 -0.24 -0.78 117.51 120.44 1sr2 h ILE 882 Ca -0.01 -1.75 -0.18 0.00 1.00 0.00 0.00 64.86 63.93 1sr2 h ILE 882 Cb 1.19 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 1sr2 h ILE 882 CO 0.12 0.52 -0.58 -0.78 0.00 0.00 0.00 178.15 177.43 1sr2 h ASP 883 N 0.21 0.79 0.68 1.72 3.58 -0.56 0.81 116.42 123.65 1sr2 h ASP 883 Ca 0.01 -0.44 -0.14 0.00 0.42 0.00 0.00 57.03 56.89 1sr2 h ASP 883 Cb 0.96 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1sr2 h ASP 883 CO 0.08 1.19 -0.65 0.77 -2.88 0.00 0.00 179.24 177.76 1sr2 h SER 884 N 0.53 0.00 0.52 2.28 4.64 -0.58 0.35 113.55 121.30 1sr2 h SER 884 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1sr2 h SER 884 Cb 1.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1sr2 h SER 884 CO 0.12 0.65 -0.25 0.22 -0.87 0.00 0.00 176.83 176.69 1sr2 h TYR 885 N 0.00 -0.64 -0.31 4.77 3.20 -0.66 -1.31 116.97 122.01 1sr2 h TYR 885 Ca -0.01 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.86 1sr2 h TYR 885 Cb 1.16 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.63 1sr2 h TYR 885 CO 0.00 -0.32 0.21 0.28 -1.64 0.00 0.00 178.16 176.69 1sr2 h VAL 886 N -0.93 1.05 -0.84 1.81 2.07 -0.87 -0.71 116.25 117.83 1sr2 h VAL 886 Ca -0.07 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1sr2 h VAL 886 Cb 0.61 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1sr2 h VAL 886 CO 0.12 0.07 0.52 0.50 0.02 0.00 0.00 177.57 178.79 1sr2 h LYS 887 N 0.37 1.12 0.00 1.57 3.64 -0.69 -0.50 116.57 122.09 1sr2 h LYS 887 Ca 0.12 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1sr2 h LYS 887 Cb 0.04 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1sr2 h LYS 887 CO -0.03 0.78 -0.35 0.66 -2.27 0.00 0.00 179.45 178.25 1sr2 h SER 888 N 1.14 0.00 1.18 4.20 4.64 0.00 -3.15 113.55 121.56 1sr2 h SER 888 Ca 0.30 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.47 1sr2 h SER 888 Cb -0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1sr2 h SER 888 CO -0.06 0.35 -0.71 -0.07 -0.87 0.00 0.00 176.83 175.47 1sr2 h LEU 889 N 0.00 0.00 0.00 5.97 3.38 -0.74 -3.50 115.31 120.42 1sr2 h LEU 889 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sr2 h LEU 889 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1sr2 h LEU 889 CO 0.04 0.71 0.00 0.18 0.09 0.00 0.00 178.44 179.46