#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqs s GLU 779 N 0.00 4.24 -0.01 4.33 1.03 -1.04 -4.78 118.70 122.47 1pqs s GLU 779 Ca 0.00 2.22 -0.16 0.00 0.03 0.00 0.00 54.97 57.06 1pqs s GLU 779 Cb 0.00 -3.46 -0.06 0.00 -0.80 0.00 0.00 34.13 29.82 1pqs s GLU 779 CO 0.00 -0.63 0.45 -1.50 -1.33 0.00 0.00 175.26 172.24 1pqs s ILE 780 N 2.08 5.01 0.05 1.83 1.10 -1.26 -2.26 121.20 127.75 1pqs s ILE 780 Ca 0.70 0.92 0.06 0.00 -0.51 0.00 0.00 60.65 61.81 1pqs s ILE 780 Cb -0.38 -3.76 -0.02 0.00 0.15 0.00 0.00 42.46 38.44 1pqs s ILE 780 CO 0.30 0.53 -0.16 0.12 -2.11 0.00 0.00 174.94 173.62 1pqs s PHE 781 N -0.76 1.39 -0.08 3.50 5.36 0.11 -4.94 117.98 122.56 1pqs s PHE 781 Ca 0.25 -0.38 0.03 0.00 -0.96 0.00 0.00 56.93 55.86 1pqs s PHE 781 Cb -0.17 -0.81 0.01 0.00 -0.34 0.00 0.00 43.02 41.71 1pqs s PHE 781 CO 0.14 0.07 -0.17 0.95 -1.46 0.00 0.00 175.22 174.75 1pqs s THR 782 N -0.94 1.49 -0.06 0.12 -4.23 -1.26 0.44 115.64 111.20 1pqs s THR 782 Ca 0.03 -0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 59.71 1pqs s THR 782 Cb -0.09 -1.33 0.03 0.00 1.34 0.00 0.00 72.50 72.45 1pqs s THR 782 CO 0.02 0.44 0.33 -0.22 -0.54 0.00 0.00 174.62 174.64 1pqs s LEU 783 N 0.61 0.77 -0.14 4.79 2.96 0.53 -4.96 118.68 123.24 1pqs s LEU 783 Ca -0.15 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1pqs s LEU 783 Cb -0.16 1.26 0.03 0.00 0.50 0.00 0.00 46.19 47.81 1pqs s LEU 783 CO 0.05 -0.33 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.87 1pqs s LEU 784 N -0.80 1.52 0.33 -0.68 1.02 -1.26 -1.13 118.68 117.68 1pqs s LEU 784 Ca -0.09 -0.45 0.02 0.00 0.02 0.00 0.00 54.13 53.64 1pqs s LEU 784 Cb -0.04 -1.04 0.58 0.00 0.02 0.00 0.00 46.19 45.71 1pqs s LEU 784 CO 0.03 -0.09 1.92 0.58 0.02 0.00 0.00 176.35 178.81 1pqs h VAL 785 N 6.14 1.18 0.00 -1.59 2.07 -1.95 -3.46 116.25 118.64 1pqs h VAL 785 Ca -0.34 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1pqs h VAL 785 Cb 1.13 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1pqs h VAL 785 CO 0.47 0.22 0.00 1.21 0.02 0.00 0.00 177.57 179.50 1pqs n GLU 786 N -4.35 0.00 -4.02 1.57 4.07 -1.26 -4.63 120.64 112.02 1pqs n GLU 786 Ca 0.04 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.00 1pqs n GLU 786 Cb 0.15 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.39 1pqs n GLU 786 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1pqs s LYS 787 N 0.00 0.23 -0.46 5.31 0.00 -1.26 -5.08 119.74 118.48 1pqs s LYS 787 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 55.97 55.50 1pqs s LYS 787 Cb 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 37.83 37.45 1pqs s LYS 787 CO 0.00 0.05 2.22 1.55 0.00 0.00 0.00 175.35 179.17 1pqs n VAL 788 N 3.06 0.10 -2.93 1.79 3.14 -1.26 -4.92 118.33 117.30 1pqs n VAL 788 Ca -0.13 -0.17 -0.38 0.00 -2.96 0.00 0.00 64.34 60.70 1pqs n VAL 788 Cb 0.59 -1.21 -0.06 0.00 -1.06 0.00 0.00 33.84 32.09 1pqs n VAL 788 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 1pqs s TRP 789 N 7.19 3.77 -0.19 1.45 0.51 -1.26 -4.96 118.94 125.45 1pqs s TRP 789 Ca 1.15 1.63 -0.04 0.00 -2.12 0.00 0.00 56.10 56.72 1pqs s TRP 789 Cb -1.08 -2.79 -0.06 0.00 -0.81 0.00 0.00 33.47 28.73 1pqs s TRP 789 CO 0.54 0.36 2.91 -1.71 -0.51 0.00 0.00 176.95 178.54 1pqs n ASN 790 N 0.98 5.83 0.00 2.95 4.05 -1.26 -4.83 115.26 122.98 1pqs n ASN 790 Ca -0.02 -2.79 0.00 0.00 0.45 0.00 0.00 54.58 52.22 1pqs n ASN 790 Cb 0.50 -1.27 0.00 0.00 1.23 0.00 0.00 39.78 40.24 1pqs n ASN 790 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 1pqs n PHE 791 N 1.54 0.00 -0.23 1.20 7.35 -1.26 -4.22 117.46 121.84 1pqs n PHE 791 Ca 0.37 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 57.05 1pqs n PHE 791 Cb 0.70 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.72 1pqs n PHE 791 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1pqs h ASP 792 N 0.00 0.92 -0.64 -2.13 3.58 -1.98 0.61 116.42 116.77 1pqs h ASP 792 Ca 0.00 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1pqs h ASP 792 Cb 0.00 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 1pqs h ASP 792 CO 0.00 0.73 0.30 0.44 -2.88 0.00 0.00 179.24 177.83 1pqs h ASP 793 N 1.04 0.85 -0.36 2.28 3.32 -1.91 0.28 116.42 121.92 1pqs h ASP 793 Ca 0.26 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1pqs h ASP 793 Cb 0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1pqs h ASP 793 CO -0.04 0.75 0.17 0.25 -1.72 0.00 0.00 179.24 178.65 1pqs h LEU 794 N 0.89 0.47 -0.21 1.55 5.85 -1.52 -0.36 115.31 121.98 1pqs h LEU 794 Ca 0.22 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1pqs h LEU 794 Cb 0.14 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1pqs h LEU 794 CO -0.03 0.47 0.12 0.40 -0.34 0.00 0.00 178.44 179.06 1pqs h ILE 795 N 0.44 1.02 -0.52 4.05 1.08 0.79 0.83 117.51 125.20 1pqs h ILE 795 Ca 0.12 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.52 1pqs h ILE 795 Cb 0.13 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 1pqs h ILE 795 CO -0.01 0.05 0.33 0.24 -0.69 0.00 0.00 178.15 178.06 1pqs h MET 796 N 0.25 0.65 -0.28 2.37 2.86 -0.25 0.57 114.93 121.11 1pqs h MET 796 Ca 0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1pqs h MET 796 Cb -0.01 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1pqs h MET 796 CO -0.04 0.43 0.18 0.00 1.06 0.00 0.00 176.91 178.54 1pqs h ALA 797 N 1.20 0.35 0.06 6.32 0.00 -0.73 -1.05 119.26 125.40 1pqs h ALA 797 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pqs h ALA 797 Cb -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1pqs h ALA 797 CO -0.06 -0.17 -0.04 0.82 0.00 0.00 0.00 179.25 179.80 1pqs h ILE 798 N 0.37 0.91 -0.22 0.00 2.04 -0.31 -0.58 117.51 119.72 1pqs h ILE 798 Ca 0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 1pqs h ILE 798 Cb -0.03 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1pqs h ILE 798 CO -0.02 0.00 -0.22 0.78 0.00 0.00 0.00 178.15 178.69 1pqs h ASN 799 N -0.10 -0.69 0.05 1.72 -0.26 0.45 -0.20 115.58 116.54 1pqs h ASN 799 Ca -0.00 0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1pqs h ASN 799 Cb 0.09 0.33 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1pqs h ASN 799 CO -0.00 -0.26 -0.02 0.28 -1.06 0.00 0.00 177.43 176.37 1pqs h SER 800 N -0.23 -0.06 -0.21 5.81 0.02 -1.13 -3.28 113.55 114.47 1pqs h SER 800 Ca 0.13 -0.40 -0.12 0.00 -0.84 0.00 0.00 61.79 60.56 1pqs h SER 800 Cb 0.43 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1pqs h SER 800 CO -0.35 0.38 -0.30 0.11 -1.14 0.00 0.00 176.83 175.53 1pqs h LYS 801 N -0.50 0.71 0.29 3.45 1.57 -0.96 -2.98 116.57 118.14 1pqs h LYS 801 Ca -0.01 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1pqs h LYS 801 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1pqs h LYS 801 CO 0.01 0.92 -0.16 0.82 -0.57 0.00 0.00 179.45 180.47 1pqs h ILE 802 N 0.61 0.00 -0.60 1.86 2.04 -1.16 -3.44 117.51 116.82 1pqs h ILE 802 Ca 0.07 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 1pqs h ILE 802 Cb 0.81 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.73 1pqs h ILE 802 CO 0.07 0.00 -0.32 -1.20 0.00 0.00 0.00 178.15 176.70 1pqs n SER 803 N -3.23 -2.53 -1.75 1.72 7.64 -1.25 -5.03 113.62 109.20 1pqs n SER 803 Ca -0.05 -2.04 -0.02 0.00 1.01 0.00 0.00 58.87 57.77 1pqs n SER 803 Cb 0.17 1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 64.62 1pqs n SER 803 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1pqs n ASN 804 N 2.73 4.01 -3.65 6.43 2.04 -1.13 -3.66 115.26 122.03 1pqs n ASN 804 Ca 0.15 -2.11 -0.03 0.00 -0.44 0.00 0.00 54.58 52.14 1pqs n ASN 804 Cb 0.60 -0.91 -0.07 0.00 -2.53 0.00 0.00 39.78 36.88 1pqs n ASN 804 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1pqs s THR 805 N 0.76 0.00 0.00 5.53 -1.32 -1.26 -5.01 115.64 114.33 1pqs s THR 805 Ca 0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 1pqs s THR 805 Cb 0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 1pqs s THR 805 CO 0.00 0.00 0.00 1.41 -2.21 0.00 0.00 174.62 173.82 1pqs n HIS 806 N 1.58 0.00 -0.16 9.09 8.25 -1.26 -4.81 115.22 127.91 1pqs n HIS 806 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1pqs n HIS 806 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1pqs n HIS 806 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pqs n ASN 807 N 1.99 0.00 0.02 0.41 4.13 -1.26 -5.01 115.26 115.53 1pqs n ASN 807 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 1pqs n ASN 807 Cb 0.00 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1pqs n ASN 807 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1pqs h ASN 808 N 0.00 -0.04 0.00 6.41 7.08 -1.87 -3.45 115.58 123.72 1pqs h ASN 808 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1pqs h ASN 808 Cb 0.00 0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.25 1pqs h ASN 808 CO 0.00 -0.02 0.00 -3.20 -2.08 0.00 0.00 177.43 172.13 1pqs n ASN 809 N -2.13 0.00 -0.11 6.14 4.05 -1.24 -4.34 115.26 117.64 1pqs n ASN 809 Ca -0.01 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 54.92 1pqs n ASN 809 Cb 0.02 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.00 1pqs n ASN 809 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1pqs h ILE 810 N 0.00 1.25 -2.70 -1.44 1.08 -1.88 -3.42 117.51 110.40 1pqs h ILE 810 Ca 0.00 -0.91 -0.12 0.00 -0.39 0.00 0.00 64.86 63.44 1pqs h ILE 810 Cb 0.00 1.22 -0.24 0.00 -3.07 0.00 0.00 36.82 34.73 1pqs h ILE 810 CO 0.00 0.30 -0.23 -0.94 -0.69 0.00 0.00 178.15 176.58 1pqs s SER 811 N -6.03 -0.46 -1.07 1.72 1.04 -1.26 -4.97 113.70 102.67 1pqs s SER 811 Ca -0.13 0.86 -0.12 0.00 0.48 0.00 0.00 55.95 57.04 1pqs s SER 811 Cb 0.09 0.85 -0.07 0.00 0.10 0.00 0.00 66.02 66.98 1pqs s SER 811 CO 0.76 -0.16 2.22 -2.65 0.98 0.00 0.00 173.24 174.40 1pqs n PRO 812 N 3.12 2.31 0.00 4.02 -0.02 -1.26 -4.54 135.00 138.63 1pqs n PRO 812 Ca -0.15 -1.85 0.00 0.00 -2.02 0.00 0.00 63.50 59.48 1pqs n PRO 812 Cb 0.57 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1pqs n PRO 812 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1pqs n ILE 813 N 4.72 0.00 0.00 4.25 -0.00 -1.26 -3.52 119.36 123.55 1pqs n ILE 813 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.28 1pqs n ILE 813 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.90 1pqs n ILE 813 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1pqs n THR 814 N 0.00 0.00 0.20 1.39 5.66 -1.26 -5.04 114.28 115.23 1pqs n THR 814 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1pqs n THR 814 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1pqs n THR 814 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1pqs h LYS 815 N 0.00 -0.51 -3.84 1.09 1.63 -1.92 -3.49 116.57 109.52 1pqs h LYS 815 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1pqs h LYS 815 Cb 0.00 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1pqs h LYS 815 CO 0.00 -0.34 -0.69 0.44 -3.45 0.00 0.00 179.45 175.41 1pqs n ILE 816 N -3.96 -4.11 -4.47 2.00 -5.35 -1.25 -4.37 119.36 97.84 1pqs n ILE 816 Ca -0.07 1.91 -0.22 0.00 -0.27 0.00 0.00 62.75 64.10 1pqs n ILE 816 Cb 0.21 -2.47 -0.14 0.00 -1.74 0.00 0.00 39.64 35.50 1pqs n ILE 816 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1pqs s LYS 817 N -1.92 1.13 0.05 6.28 2.20 -0.84 -2.89 119.74 123.75 1pqs s LYS 817 Ca 0.00 -0.84 0.06 0.00 -0.36 0.00 0.00 55.97 54.84 1pqs s LYS 817 Cb 0.00 -1.19 -0.02 0.00 -1.51 0.00 0.00 37.83 35.11 1pqs s LYS 817 CO 0.00 0.30 -0.18 1.52 -0.36 0.00 0.00 175.35 176.63 1pqs s TYR 818 N -0.83 1.57 0.06 4.03 -0.85 0.28 -0.43 117.35 121.17 1pqs s TYR 818 Ca 0.04 -0.37 0.06 0.00 -0.52 0.00 0.00 57.07 56.28 1pqs s TYR 818 Cb -0.08 -0.92 -0.03 0.00 0.38 0.00 0.00 41.96 41.31 1pqs s TYR 818 CO 0.01 0.08 -0.17 -1.14 -1.52 0.00 0.00 175.55 172.82 1pqs s GLN 819 N -1.26 1.05 0.05 -3.49 0.74 0.17 -0.45 119.66 116.47 1pqs s GLN 819 Ca 0.05 -0.92 0.07 0.00 0.05 0.00 0.00 55.36 54.61 1pqs s GLN 819 Cb -0.09 -1.13 -0.03 0.00 1.10 0.00 0.00 33.01 32.86 1pqs s GLN 819 CO 0.02 0.27 -0.21 0.16 -0.55 0.00 0.00 175.29 174.98 1pqs s ASP 820 N -1.43 2.50 0.43 6.67 1.47 -0.68 -0.81 116.67 124.80 1pqs s ASP 820 Ca 0.03 -0.55 0.29 0.00 1.18 0.00 0.00 52.55 53.50 1pqs s ASP 820 Cb -0.09 -0.20 1.41 0.00 -0.34 0.00 0.00 42.92 43.70 1pqs s ASP 820 CO 0.02 0.15 1.62 -0.08 0.68 0.00 0.00 175.17 177.56 1pqs h GLU 821 N 4.74 0.08 -0.58 2.11 4.57 -1.73 0.36 114.58 124.14 1pqs h GLU 821 Ca -0.43 -0.00 0.11 0.00 -1.18 0.00 0.00 59.36 57.85 1pqs h GLU 821 Cb 1.16 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 1pqs h GLU 821 CO 0.43 0.05 0.39 0.22 -1.18 0.00 0.00 179.01 178.93 1pqs h ASP 822 N 0.09 0.31 0.00 1.04 3.58 -1.90 -3.46 116.42 116.07 1pqs h ASP 822 Ca 0.82 0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.28 1pqs h ASP 822 Cb 2.52 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 43.52 1pqs h ASP 822 CO -0.46 0.18 0.00 0.61 -2.88 0.00 0.00 179.24 176.69 1pqs n GLY 823 N -1.54 0.61 3.16 -0.78 0.00 0.13 -5.15 105.19 101.62 1pqs n GLY 823 Ca 0.10 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 1pqs n GLY 823 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pqs s ASP 824 N -0.65 -0.14 -0.09 1.61 -1.08 -1.17 -4.98 116.67 110.17 1pqs s ASP 824 Ca 0.00 0.11 0.03 0.00 -0.52 0.00 0.00 52.55 52.17 1pqs s ASP 824 Cb 0.00 0.34 0.01 0.00 -1.46 0.00 0.00 42.92 41.81 1pqs s ASP 824 CO 0.00 -0.32 -0.18 -0.36 0.52 0.00 0.00 175.17 174.84 1pqs s PHE 825 N -0.92 2.02 0.00 -5.34 0.40 -1.26 -1.69 117.98 111.18 1pqs s PHE 825 Ca -0.10 -0.84 -0.04 0.00 -0.60 0.00 0.00 56.93 55.35 1pqs s PHE 825 Cb -0.05 -1.41 -0.00 0.00 0.51 0.00 0.00 43.02 42.07 1pqs s PHE 825 CO 0.02 -0.38 0.08 0.08 0.70 0.00 0.00 175.22 175.71 1pqs s VAL 826 N 0.62 0.08 -0.08 -0.44 1.01 0.40 -4.99 120.40 117.00 1pqs s VAL 826 Ca -0.14 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1pqs s VAL 826 Cb -0.16 -0.34 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1pqs s VAL 826 CO 0.04 -0.38 -0.21 0.54 0.00 0.00 0.00 175.10 175.10 1pqs s VAL 827 N -1.25 1.78 0.08 2.92 0.11 -1.26 0.98 120.40 123.76 1pqs s VAL 827 Ca -0.14 -0.88 0.06 0.00 -2.93 0.00 0.00 61.98 58.10 1pqs s VAL 827 Cb -0.08 -1.54 -0.03 0.00 -1.53 0.00 0.00 36.38 33.20 1pqs s VAL 827 CO 0.01 0.50 -0.17 -1.48 -3.33 0.00 0.00 175.10 170.63 1pqs s LEU 828 N 0.26 2.27 0.00 2.54 -0.00 -1.14 -4.91 118.68 117.70 1pqs s LEU 828 Ca -0.13 -0.63 0.00 0.00 -0.00 0.00 0.00 54.13 53.38 1pqs s LEU 828 Cb -0.16 -0.66 0.00 0.00 -0.00 0.00 0.00 46.19 45.38 1pqs s LEU 828 CO 0.06 -0.02 0.00 0.61 -0.00 0.00 0.00 176.35 177.00 1pqs n GLY 829 N 1.27 0.01 0.00 -3.48 0.00 -1.26 -4.72 105.19 97.00 1pqs n GLY 829 Ca -0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1pqs n GLY 829 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pqs n SER 830 N 0.00 0.00 -2.89 1.61 7.64 -1.26 -4.88 113.62 113.84 1pqs n SER 830 Ca 0.00 0.23 -0.14 0.00 1.01 0.00 0.00 58.87 59.98 1pqs n SER 830 Cb 0.00 -0.38 0.07 0.00 -1.01 0.00 0.00 64.21 62.89 1pqs n SER 830 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pqs n ASP 831 N -1.38 -2.24 0.00 6.43 -0.08 -1.26 -4.79 116.55 113.22 1pqs n ASP 831 Ca 0.07 -0.48 0.00 0.00 -1.51 0.00 0.00 54.79 52.87 1pqs n ASP 831 Cb 0.18 -4.10 0.00 0.00 2.34 0.00 0.00 41.12 39.54 1pqs n ASP 831 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1pqs n GLU 832 N -3.48 0.00 -0.16 -0.67 2.13 -1.26 -4.68 120.64 112.52 1pqs n GLU 832 Ca -0.21 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.57 1pqs n GLU 832 Cb 0.63 -0.01 0.05 0.00 0.27 0.00 0.00 31.44 32.37 1pqs n GLU 832 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1pqs h ASP 833 N 0.00 0.30 -0.53 4.31 3.04 -1.91 0.26 116.42 121.89 1pqs h ASP 833 Ca 0.00 0.04 -0.09 0.00 -3.24 0.00 0.00 57.03 53.74 1pqs h ASP 833 Cb 0.00 -0.01 -0.02 0.00 -1.04 0.00 0.00 39.33 38.26 1pqs h ASP 833 CO 0.00 0.21 -0.02 -0.25 -2.04 0.00 0.00 179.24 177.14 1pqs h TRP 834 N 0.44 1.04 -0.16 4.15 -0.00 -1.91 -1.82 115.95 117.70 1pqs h TRP 834 Ca 0.22 -0.19 0.03 0.00 -0.00 0.00 0.00 58.89 58.95 1pqs h TRP 834 Cb 0.16 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 29.02 1pqs h TRP 834 CO -0.12 0.96 -0.01 -0.97 -0.00 0.00 0.00 178.44 178.30 1pqs h ASN 835 N 0.83 -0.09 -0.45 2.65 -1.24 -1.49 0.77 115.58 116.56 1pqs h ASN 835 Ca 0.15 0.04 -0.04 0.00 0.71 0.00 0.00 56.30 57.15 1pqs h ASN 835 Cb 0.56 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 1pqs h ASN 835 CO 0.03 -0.02 0.14 1.62 -1.29 0.00 0.00 177.43 177.91 1pqs h VAL 836 N 0.04 1.21 -0.10 2.57 3.04 -0.49 -1.55 116.25 120.98 1pqs h VAL 836 Ca 0.08 -0.75 0.02 0.00 -1.01 0.00 0.00 66.70 65.04 1pqs h VAL 836 Cb 0.10 0.67 -0.02 0.00 -2.01 0.00 0.00 31.29 30.03 1pqs h VAL 836 CO -0.14 0.28 -0.01 0.00 -1.01 0.00 0.00 177.57 176.69 1pqs h ALA 837 N 1.40 0.08 -0.24 3.17 0.00 -0.42 0.25 119.26 123.49 1pqs h ALA 837 Ca 0.17 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1pqs h ALA 837 Cb 0.25 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1pqs h ALA 837 CO -0.01 -0.48 -0.01 0.87 0.00 0.00 0.00 179.25 179.63 1pqs h LYS 838 N 0.02 0.07 -0.79 0.00 1.57 -0.29 -0.55 116.57 116.58 1pqs h LYS 838 Ca 0.05 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1pqs h LYS 838 Cb 0.06 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1pqs h LYS 838 CO -0.09 0.04 0.33 0.93 -0.57 0.00 0.00 179.45 180.09 1pqs h GLU 839 N 0.07 1.18 0.02 3.15 4.39 -1.02 -1.04 114.58 121.33 1pqs h GLU 839 Ca 0.12 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1pqs h GLU 839 Cb 0.15 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1pqs h GLU 839 CO -0.20 0.94 -0.16 1.98 -1.16 0.00 0.00 179.01 180.42 1pqs h MET 840 N 1.15 -0.26 -0.20 2.33 1.85 0.16 0.36 114.93 120.33 1pqs h MET 840 Ca 0.27 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.39 1pqs h MET 840 Cb 0.20 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.27 1pqs h MET 840 CO -0.02 -0.17 0.08 -0.07 -0.40 0.00 0.00 176.91 176.32 1pqs h LEU 841 N -0.27 0.10 -0.05 3.39 3.38 -0.85 -0.23 115.31 120.77 1pqs h LEU 841 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1pqs h LEU 841 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1pqs h LEU 841 CO -0.13 0.08 -0.00 0.00 0.09 0.00 0.00 178.44 178.48 1pqs h ALA 842 N 1.11 0.07 0.01 1.53 0.00 -0.84 0.23 119.26 121.38 1pqs h ALA 842 Ca 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pqs h ALA 842 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pqs h ALA 842 CO -0.08 -0.25 -0.00 1.49 0.00 0.00 0.00 179.25 180.41 1pqs h GLU 843 N -0.20 -0.01 -0.29 0.00 4.22 -0.26 -3.20 114.58 114.83 1pqs h GLU 843 Ca 0.01 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.35 1pqs h GLU 843 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1pqs h GLU 843 CO 0.00 0.34 -0.28 -0.91 -2.18 0.00 0.00 179.01 175.98 1pqs h ASN 844 N -0.36 0.61 0.00 1.04 2.35 -1.11 -3.47 115.58 114.64 1pqs h ASN 844 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1pqs h ASN 844 Cb 0.35 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1pqs h ASN 844 CO 0.00 0.86 0.00 -0.46 -1.65 0.00 0.00 177.43 176.18 1pqs n ASN 845 N -4.10 0.00 -4.01 5.81 0.23 0.80 -4.96 115.26 109.03 1pqs n ASN 845 Ca -0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.58 53.64 1pqs n ASN 845 Cb 0.44 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.11 1pqs n ASN 845 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1pqs n GLU 846 N -2.00 2.24 0.00 -3.83 1.02 -1.09 -4.69 120.64 112.29 1pqs n GLU 846 Ca 0.00 -2.45 0.11 0.00 -0.02 0.00 0.00 57.16 54.80 1pqs n GLU 846 Cb 0.00 -3.29 0.66 0.00 -0.02 0.00 0.00 31.44 28.80 1pqs n GLU 846 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1pqs n LYS 847 N 7.23 0.71 -2.11 3.49 4.81 -1.26 -4.41 118.16 126.63 1pqs n LYS 847 Ca 0.49 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.51 1pqs n LYS 847 Cb 0.42 -1.49 -0.03 0.00 0.02 0.00 0.00 35.03 33.96 1pqs n LYS 847 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1pqs s PHE 848 N -2.00 2.71 0.01 5.64 5.36 -1.26 -3.82 117.98 124.62 1pqs s PHE 848 Ca 0.34 0.64 0.05 0.00 -0.96 0.00 0.00 56.93 56.99 1pqs s PHE 848 Cb 0.15 -3.78 -0.02 0.00 -0.34 0.00 0.00 43.02 39.04 1pqs s PHE 848 CO 0.26 -2.98 -0.15 -1.17 -1.46 0.00 0.00 175.22 169.72 1pqs s LEU 849 N 2.44 2.10 0.05 6.12 2.96 -0.29 -2.61 118.68 129.45 1pqs s LEU 849 Ca 0.68 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.28 1pqs s LEU 849 Cb -0.35 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 1pqs s LEU 849 CO 0.29 0.13 -0.16 0.20 -1.32 0.00 0.00 176.35 175.48 1pqs s ASN 850 N -0.73 1.92 -0.11 3.68 0.01 0.01 -0.35 114.94 119.37 1pqs s ASN 850 Ca 0.04 -0.51 0.01 0.00 -0.71 0.00 0.00 52.86 51.69 1pqs s ASN 850 Cb -0.07 -0.12 0.02 0.00 0.41 0.00 0.00 41.25 41.49 1pqs s ASN 850 CO 0.00 0.05 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.87 1pqs s ILE 851 N -0.93 1.40 -0.15 0.60 -1.09 0.17 0.42 121.20 121.62 1pqs s ILE 851 Ca 0.03 -0.57 -0.02 0.00 -2.23 0.00 0.00 60.65 57.85 1pqs s ILE 851 Cb -0.09 -1.30 -0.02 0.00 -1.58 0.00 0.00 42.46 39.48 1pqs s ILE 851 CO 0.02 0.42 -0.07 -0.60 -1.23 0.00 0.00 174.94 173.48 1pqs s ARG 852 N 1.10 3.56 -0.16 2.79 3.52 0.43 0.04 118.95 130.24 1pqs s ARG 852 Ca -0.05 -0.58 -0.08 0.00 -0.13 0.00 0.00 55.73 54.89 1pqs s ARG 852 Cb -0.14 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 1pqs s ARG 852 CO -0.03 0.21 0.12 -0.51 -0.81 0.00 0.00 175.30 174.28 1pqs s LEU 853 N 0.41 4.18 0.00 -0.88 2.01 -0.96 -1.98 118.68 121.46 1pqs s LEU 853 Ca -0.06 0.30 0.00 0.00 0.01 0.00 0.00 54.13 54.38 1pqs s LEU 853 Cb -0.15 -2.05 0.00 0.00 0.01 0.00 0.00 46.19 44.01 1pqs s LEU 853 CO 0.04 0.28 0.00 0.00 1.01 0.00 0.00 176.35 177.68