#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 4.18 -0.16 1.43 2.02 0.36 -4.81 118.70 121.72 1pqs s GLU 779 Ca 0.00 2.44 -0.05 0.00 0.02 0.00 0.00 54.97 57.38 1pqs s GLU 779 Cb 0.00 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 1pqs s GLU 779 CO 0.00 -0.71 0.00 -1.50 0.02 0.00 0.00 175.26 173.08 1pqs s ILE 780 N 1.79 4.28 0.05 -1.63 1.10 -1.26 -1.49 121.20 124.04 1pqs s ILE 780 Ca 0.74 -0.22 0.06 0.00 -0.51 0.00 0.00 60.65 60.71 1pqs s ILE 780 Cb -0.44 -2.89 -0.02 0.00 0.15 0.00 0.00 42.46 39.25 1pqs s ILE 780 CO 0.32 0.49 -0.16 0.12 -2.11 0.00 0.00 174.94 173.60 1pqs s PHE 781 N 0.28 1.39 -0.09 3.50 5.36 0.50 -4.93 117.98 123.98 1pqs s PHE 781 Ca -0.00 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 55.61 1pqs s PHE 781 Cb -0.13 -0.81 0.02 0.00 -0.34 0.00 0.00 43.02 41.75 1pqs s PHE 781 CO 0.02 0.06 -0.13 0.99 -1.46 0.00 0.00 175.22 174.70 1pqs s THR 782 N -0.92 1.33 -0.07 0.12 2.01 -1.26 0.38 115.64 117.24 1pqs s THR 782 Ca 0.03 -0.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.33 1pqs s THR 782 Cb -0.08 -1.23 0.03 0.00 0.01 0.00 0.00 72.50 71.22 1pqs s THR 782 CO 0.02 0.41 0.35 -0.22 -0.69 0.00 0.00 174.62 174.48 1pqs s LEU 783 N 0.96 0.69 -0.07 4.42 2.96 0.61 -5.00 118.68 123.26 1pqs s LEU 783 Ca -0.08 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1pqs s LEU 783 Cb -0.15 1.31 0.01 0.00 0.50 0.00 0.00 46.19 47.86 1pqs s LEU 783 CO -0.00 -0.32 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.82 1pqs s LEU 784 N -0.69 1.66 0.02 -0.68 1.02 -1.26 -1.38 118.68 117.37 1pqs s LEU 784 Ca -0.08 -0.32 -0.30 0.00 0.02 0.00 0.00 54.13 53.45 1pqs s LEU 784 Cb -0.04 -0.87 -0.08 0.00 0.02 0.00 0.00 46.19 45.23 1pqs s LEU 784 CO 0.03 0.03 1.75 0.68 0.02 0.00 0.00 176.35 178.87 1pqs s VAL 785 N 0.69 3.18 -0.11 -1.59 -7.23 -1.26 -4.91 120.40 109.17 1pqs s VAL 785 Ca -0.14 0.40 -0.20 0.00 -1.81 0.00 0.00 61.98 60.23 1pqs s VAL 785 Cb -0.16 -3.26 -0.27 0.00 0.56 0.00 0.00 36.38 33.26 1pqs s VAL 785 CO 0.03 -0.02 0.63 -0.08 -0.31 0.00 0.00 175.10 175.35 1pqs h GLU 786 N 9.37 0.18 -1.27 4.82 4.81 -1.98 -3.42 114.58 127.09 1pqs h GLU 786 Ca -0.44 -0.31 -0.39 0.00 -0.13 0.00 0.00 59.36 58.09 1pqs h GLU 786 Cb 1.20 0.12 -0.39 0.00 0.63 0.00 0.00 28.75 30.31 1pqs h GLU 786 CO 0.94 1.15 -1.17 0.36 -0.73 0.00 0.00 179.01 179.56 1pqs n LYS 787 N -4.16 1.09 0.00 1.92 2.85 -1.26 -4.99 118.16 113.60 1pqs n LYS 787 Ca -0.21 -3.25 0.00 0.00 -1.05 0.00 0.00 58.31 53.81 1pqs n LYS 787 Cb 0.78 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.80 1pqs n LYS 787 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1pqs n VAL 788 N 0.04 0.00 -1.60 0.58 0.31 -1.26 -4.75 118.33 111.65 1pqs n VAL 788 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1pqs n VAL 788 Cb 0.77 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 1pqs n VAL 788 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 1pqs n TRP 789 N 0.00 -2.88 -0.57 3.52 8.01 -1.26 -4.77 117.44 119.49 1pqs n TRP 789 Ca 0.00 1.73 -0.02 0.00 -1.31 0.00 0.00 57.50 57.90 1pqs n TRP 789 Cb 0.00 -3.04 -0.02 0.00 -2.01 0.00 0.00 31.31 26.24 1pqs n TRP 789 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 1pqs n ASN 790 N 1.10 5.37 0.00 -0.99 6.94 -1.26 -4.78 115.26 121.63 1pqs n ASN 790 Ca 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 54.58 52.12 1pqs n ASN 790 Cb 0.00 -1.16 0.00 0.00 -2.36 0.00 0.00 39.78 36.26 1pqs n ASN 790 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1pqs n PHE 791 N 1.58 0.00 -0.19 -2.53 7.35 -1.26 -4.44 117.46 117.97 1pqs n PHE 791 Ca 0.06 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.68 1pqs n PHE 791 Cb 0.55 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.40 1pqs n PHE 791 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1pqs h ASP 792 N 0.00 0.69 -0.34 -2.13 3.32 -1.98 0.39 116.42 116.37 1pqs h ASP 792 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1pqs h ASP 792 Cb 0.00 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1pqs h ASP 792 CO 0.00 0.58 0.22 0.44 -1.72 0.00 0.00 179.24 178.76 1pqs h ASP 793 N 0.75 0.40 -0.23 6.45 3.32 -1.90 0.30 116.42 125.52 1pqs h ASP 793 Ca 0.20 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.23 1pqs h ASP 793 Cb 0.03 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1pqs h ASP 793 CO -0.03 0.32 0.12 0.25 -1.72 0.00 0.00 179.24 178.17 1pqs h LEU 794 N 0.46 0.18 -0.84 1.55 5.85 -1.72 -1.05 115.31 119.73 1pqs h LEU 794 Ca 0.12 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 1pqs h LEU 794 Cb -0.02 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1pqs h LEU 794 CO -0.03 0.14 -0.13 0.40 -0.34 0.00 0.00 178.44 178.48 1pqs h ILE 795 N 0.25 1.26 -0.51 4.05 1.08 0.12 0.17 117.51 123.93 1pqs h ILE 795 Ca 0.09 -1.18 0.04 0.00 -0.39 0.00 0.00 64.86 63.42 1pqs h ILE 795 Cb 0.02 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 1pqs h ILE 795 CO -0.06 0.40 0.28 0.24 -0.69 0.00 0.00 178.15 178.31 1pqs h MET 796 N 0.65 0.53 -0.48 2.37 2.86 0.01 0.55 114.93 121.42 1pqs h MET 796 Ca 0.11 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1pqs h MET 796 Cb 0.60 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1pqs h MET 796 CO 0.04 0.35 0.12 0.00 1.06 0.00 0.00 176.91 178.48 1pqs h ALA 797 N 1.26 0.64 -0.02 6.32 0.00 -0.78 -1.33 119.26 125.34 1pqs h ALA 797 Ca 0.22 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1pqs h ALA 797 Cb 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1pqs h ALA 797 CO -0.13 0.33 -0.25 0.82 0.00 0.00 0.00 179.25 180.01 1pqs h ILE 798 N 0.66 0.42 -0.39 0.00 1.08 0.43 0.61 117.51 120.32 1pqs h ILE 798 Ca 0.15 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.59 1pqs h ILE 798 Cb 0.33 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 1pqs h ILE 798 CO 0.00 0.00 0.12 0.78 -0.69 0.00 0.00 178.15 178.37 1pqs h ASN 799 N -0.38 0.56 0.22 1.72 -0.26 0.20 -0.13 115.58 117.51 1pqs h ASN 799 Ca 0.07 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 1pqs h ASN 799 Cb 0.47 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 1pqs h ASN 799 CO -0.24 0.61 -0.11 -1.28 -1.06 0.00 0.00 177.43 175.36 1pqs h SER 800 N 0.48 -0.25 -0.06 5.81 0.87 -1.04 -1.55 113.55 117.81 1pqs h SER 800 Ca 0.12 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1pqs h SER 800 Cb 0.25 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1pqs h SER 800 CO -0.00 0.01 -0.04 0.11 -0.53 0.00 0.00 176.83 176.37 1pqs h LYS 801 N -0.51 0.12 0.56 2.24 1.57 -0.89 -2.75 116.57 116.92 1pqs h LYS 801 Ca -0.03 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1pqs h LYS 801 Cb 0.38 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.70 1pqs h LYS 801 CO 0.05 0.54 -0.27 0.82 -0.57 0.00 0.00 179.45 180.01 1pqs h ILE 802 N -0.29 0.02 -0.14 1.86 2.04 -1.11 -3.16 117.51 116.74 1pqs h ILE 802 Ca 0.01 -0.45 -0.12 0.00 1.00 0.00 0.00 64.86 65.30 1pqs h ILE 802 Cb 0.50 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 1pqs h ILE 802 CO 0.01 0.00 0.01 -1.20 0.00 0.00 0.00 178.15 176.98 1pqs n SER 803 N -5.28 5.58 0.18 1.72 7.64 -0.58 -4.36 113.62 118.52 1pqs n SER 803 Ca -0.10 -2.58 0.07 0.00 1.01 0.00 0.00 58.87 57.28 1pqs n SER 803 Cb 0.30 -1.18 0.58 0.00 -1.01 0.00 0.00 64.21 62.90 1pqs n SER 803 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1pqs h ASN 804 N 1.60 0.13 -0.21 6.43 7.08 -1.45 0.19 115.58 129.36 1pqs h ASN 804 Ca 0.11 -0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.23 1pqs h ASN 804 Cb 1.08 -0.03 -0.00 0.00 -2.08 0.00 0.00 38.32 37.28 1pqs h ASN 804 CO 0.22 0.10 -0.23 0.71 -2.08 0.00 0.00 177.43 176.15 1pqs h THR 805 N 0.16 1.33 0.06 6.14 1.35 -1.87 -3.30 112.91 116.77 1pqs h THR 805 Ca 0.05 -1.40 -0.26 0.00 -0.55 0.00 0.00 66.41 64.25 1pqs h THR 805 Cb 0.02 1.75 0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1pqs h THR 805 CO -0.01 0.43 -1.06 0.45 -0.25 0.00 0.00 175.52 175.08 1pqs h HIS 806 N 0.21 0.96 -0.61 4.73 3.86 -1.72 -3.47 115.15 119.10 1pqs h HIS 806 Ca 0.03 -0.56 -0.12 0.00 -1.16 0.00 0.00 60.37 58.56 1pqs h HIS 806 Cb 0.78 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1pqs h HIS 806 CO 0.08 1.40 -0.13 0.09 0.86 0.00 0.00 177.93 180.23 1pqs n ASN 807 N -3.89 -2.89 0.00 2.45 3.02 0.60 -4.97 115.26 109.57 1pqs n ASN 807 Ca -0.12 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1pqs n ASN 807 Cb 0.89 -1.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 1pqs n ASN 807 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1pqs n ASN 808 N 0.96 0.00 0.00 6.41 2.04 -1.25 -5.07 115.26 118.35 1pqs n ASN 808 Ca -0.06 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.08 1pqs n ASN 808 Cb 0.41 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.66 1pqs n ASN 808 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1pqs n ASN 809 N 0.00 0.00 0.00 0.53 5.15 -1.26 -4.95 115.26 114.73 1pqs n ASN 809 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1pqs n ASN 809 Cb 0.00 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1pqs n ASN 809 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1pqs n ILE 810 N -1.71 0.00 -3.64 -1.44 2.08 -1.26 -4.70 119.36 108.70 1pqs n ILE 810 Ca 0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 1pqs n ILE 810 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 38.82 1pqs n ILE 810 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1pqs s SER 811 N 0.00 -0.81 -0.86 4.38 1.04 -1.26 -5.05 113.70 111.14 1pqs s SER 811 Ca 0.00 1.35 -0.07 0.00 0.48 0.00 0.00 55.95 57.70 1pqs s SER 811 Cb 0.00 1.34 -0.12 0.00 0.10 0.00 0.00 66.02 67.34 1pqs s SER 811 CO 0.00 -0.22 3.14 -0.81 0.98 0.00 0.00 173.24 176.33 1pqs n PRO 812 N 3.79 3.03 -0.56 4.02 -0.05 -1.26 -4.57 135.00 139.41 1pqs n PRO 812 Ca -0.18 -1.90 0.00 0.00 -0.05 0.00 0.00 63.50 61.37 1pqs n PRO 812 Cb 0.58 -2.41 0.00 0.00 -0.05 0.00 0.00 33.50 31.62 1pqs n PRO 812 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 175.50 176.96 1pqs n ILE 813 N 2.69 0.00 0.00 0.52 0.13 -1.26 -3.84 119.36 117.60 1pqs n ILE 813 Ca 0.60 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.25 1pqs n ILE 813 Cb 0.53 -0.28 0.00 0.00 -0.84 0.00 0.00 39.64 39.04 1pqs n ILE 813 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1pqs n THR 814 N -2.00 0.00 -0.96 9.51 -2.24 -1.26 -4.77 114.28 112.57 1pqs n THR 814 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1pqs n THR 814 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1pqs n THR 814 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pqs n LYS 815 N -1.59 1.79 -2.64 -0.78 4.76 -1.25 -4.68 118.16 113.76 1pqs n LYS 815 Ca 0.00 -1.17 -0.35 0.00 -2.87 0.00 0.00 58.31 53.93 1pqs n LYS 815 Cb 0.00 -1.69 -0.05 0.00 -1.84 0.00 0.00 35.03 31.45 1pqs n LYS 815 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1pqs s ILE 816 N -0.72 3.98 0.01 -0.18 -4.36 -1.26 -4.39 121.20 114.27 1pqs s ILE 816 Ca 0.40 1.33 0.05 0.00 -0.26 0.00 0.00 60.65 62.17 1pqs s ILE 816 Cb 0.23 -3.59 -0.02 0.00 1.25 0.00 0.00 42.46 40.34 1pqs s ILE 816 CO -0.05 -0.17 -0.17 -0.75 0.24 0.00 0.00 174.94 174.04 1pqs s LYS 817 N -2.95 1.28 0.05 0.37 2.20 -0.54 -2.90 119.74 117.25 1pqs s LYS 817 Ca 0.62 -0.67 0.06 0.00 -0.36 0.00 0.00 55.97 55.62 1pqs s LYS 817 Cb -0.16 -1.27 -0.02 0.00 -1.51 0.00 0.00 37.83 34.87 1pqs s LYS 817 CO 0.20 0.34 -0.17 1.52 -0.36 0.00 0.00 175.35 176.88 1pqs s TYR 818 N -0.53 1.46 0.05 4.03 -0.85 0.24 0.66 117.35 122.40 1pqs s TYR 818 Ca 0.06 -0.37 0.06 0.00 -0.52 0.00 0.00 57.07 56.29 1pqs s TYR 818 Cb -0.07 -0.85 -0.02 0.00 0.38 0.00 0.00 41.96 41.39 1pqs s TYR 818 CO 0.00 0.07 -0.17 -1.14 -1.52 0.00 0.00 175.55 172.80 1pqs s GLN 819 N -1.27 1.09 -0.01 -3.49 0.74 0.17 -0.13 119.66 116.76 1pqs s GLN 819 Ca 0.04 -0.85 0.06 0.00 0.05 0.00 0.00 55.36 54.66 1pqs s GLN 819 Cb -0.08 -1.15 -0.02 0.00 1.10 0.00 0.00 33.01 32.86 1pqs s GLN 819 CO 0.02 0.28 -0.19 0.34 -0.55 0.00 0.00 175.29 175.20 1pqs s ASP 820 N -1.22 2.19 -0.50 6.67 2.15 -0.88 -0.86 116.67 124.22 1pqs s ASP 820 Ca 0.04 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.66 1pqs s ASP 820 Cb -0.08 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.30 1pqs s ASP 820 CO 0.02 0.21 0.00 1.21 -0.17 0.00 0.00 175.17 176.44 1pqs n GLU 821 N 2.52 -1.77 -3.53 4.34 2.13 -1.03 -2.17 120.64 121.12 1pqs n GLU 821 Ca -0.15 0.65 -0.20 0.00 0.66 0.00 0.00 57.16 58.12 1pqs n GLU 821 Cb 0.54 -5.05 0.06 0.00 0.27 0.00 0.00 31.44 27.26 1pqs n GLU 821 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1pqs n ASP 822 N -1.01 -2.75 0.00 4.31 -0.08 -1.26 -4.83 116.55 110.93 1pqs n ASP 822 Ca -0.05 -0.75 0.00 0.00 -1.51 0.00 0.00 54.79 52.48 1pqs n ASP 822 Cb 0.52 -4.57 0.00 0.00 2.34 0.00 0.00 41.12 39.40 1pqs n ASP 822 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pqs n GLY 823 N -1.37 0.19 3.20 0.27 0.00 -0.92 -5.14 105.19 101.41 1pqs n GLY 823 Ca -0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 2.05 -0.06 1.61 2.15 -1.07 -4.99 116.67 116.37 1pqs s ASP 824 Ca 0.00 -0.51 0.04 0.00 0.43 0.00 0.00 52.55 52.51 1pqs s ASP 824 Cb 0.00 -0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.48 1pqs s ASP 824 CO 0.00 0.08 -0.17 -0.36 -0.17 0.00 0.00 175.17 174.55 1pqs s PHE 825 N -0.88 1.79 0.02 -5.34 0.08 -1.26 -2.08 117.98 110.31 1pqs s PHE 825 Ca 0.04 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.51 1pqs s PHE 825 Cb -0.08 -1.22 -0.02 0.00 -0.57 0.00 0.00 43.02 41.12 1pqs s PHE 825 CO 0.02 -0.23 -0.04 0.08 -0.10 0.00 0.00 175.22 174.94 1pqs s VAL 826 N 0.25 0.25 -0.09 -0.44 1.01 0.82 -4.98 120.40 117.22 1pqs s VAL 826 Ca -0.09 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1pqs s VAL 826 Cb -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1pqs s VAL 826 CO 0.04 -0.40 -0.20 -0.69 0.00 0.00 0.00 175.10 173.85 1pqs s VAL 827 N -1.27 1.78 0.06 2.92 1.01 -1.26 0.79 120.40 124.42 1pqs s VAL 827 Ca -0.12 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.06 1pqs s VAL 827 Cb -0.09 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1pqs s VAL 827 CO -0.00 0.50 -0.14 -1.48 0.00 0.00 0.00 175.10 173.98 1pqs s LEU 828 N 0.46 2.23 0.00 3.92 0.05 -1.14 -5.00 118.68 119.19 1pqs s LEU 828 Ca -0.17 -0.54 0.00 0.00 0.05 0.00 0.00 54.13 53.47 1pqs s LEU 828 Cb -0.17 -0.53 0.00 0.00 -2.05 0.00 0.00 46.19 43.44 1pqs s LEU 828 CO 0.07 -0.04 0.00 0.61 -0.55 0.00 0.00 176.35 176.44 1pqs n GLY 829 N 1.56 0.00 3.77 -3.48 0.00 -1.26 -4.33 105.19 101.45 1pqs n GLY 829 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1pqs n GLY 829 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pqs s SER 830 N -3.43 7.42 0.00 1.61 0.15 -1.26 -4.93 113.70 113.27 1pqs s SER 830 Ca 0.00 1.73 0.05 0.00 0.70 0.00 0.00 55.95 58.44 1pqs s SER 830 Cb 0.00 -2.53 0.23 0.00 -1.71 0.00 0.00 66.02 62.01 1pqs s SER 830 CO 0.00 0.14 1.17 -0.90 1.20 0.00 0.00 173.24 174.86 1pqs n ASP 831 N 1.34 0.00 -0.06 5.45 5.75 -1.26 -2.75 116.55 125.01 1pqs n ASP 831 Ca -0.03 0.50 -0.10 0.00 -0.01 0.00 0.00 54.79 55.14 1pqs n ASP 831 Cb 0.49 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 40.04 1pqs n ASP 831 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1pqs h GLU 832 N 0.00 0.33 -0.59 0.11 4.39 -1.99 0.10 114.58 116.92 1pqs h GLU 832 Ca 0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1pqs h GLU 832 Cb 0.09 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1pqs h GLU 832 CO 0.00 0.33 0.26 -0.44 -1.16 0.00 0.00 179.01 178.00 1pqs h ASP 833 N 0.24 0.77 -0.70 1.42 5.19 -1.91 -0.78 116.42 120.65 1pqs h ASP 833 Ca 0.08 -0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 1pqs h ASP 833 Cb 0.11 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.39 1pqs h ASP 833 CO -0.01 0.67 0.15 -0.25 -3.12 0.00 0.00 179.24 176.68 1pqs h TRP 834 N 0.84 1.19 -0.65 4.55 -0.00 -1.60 -0.79 115.95 119.50 1pqs h TRP 834 Ca 0.21 -0.15 0.03 0.00 -0.00 0.00 0.00 58.89 58.98 1pqs h TRP 834 Cb 0.12 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.16 28.91 1pqs h TRP 834 CO 0.01 0.97 0.39 -0.97 -0.00 0.00 0.00 178.44 178.85 1pqs h ASN 835 N 1.06 0.63 -0.58 2.65 -1.24 0.55 0.24 115.58 118.90 1pqs h ASN 835 Ca 0.22 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.28 1pqs h ASN 835 Cb 0.40 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.27 1pqs h ASN 835 CO 0.01 0.44 0.32 0.58 -1.29 0.00 0.00 177.43 177.48 1pqs h VAL 836 N 0.77 0.99 -0.63 2.57 2.07 -0.84 -1.55 116.25 119.63 1pqs h VAL 836 Ca 0.26 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1pqs h VAL 836 Cb 0.05 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1pqs h VAL 836 CO -0.12 0.11 0.35 0.00 0.02 0.00 0.00 177.57 177.93 1pqs h ALA 837 N 1.29 0.80 -0.16 1.67 0.00 0.39 0.20 119.26 123.46 1pqs h ALA 837 Ca 0.25 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1pqs h ALA 837 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1pqs h ALA 837 CO -0.15 0.32 0.05 0.87 0.00 0.00 0.00 179.25 180.34 1pqs h LYS 838 N 0.85 0.12 -0.63 0.00 1.57 0.02 0.34 116.57 118.84 1pqs h LYS 838 Ca 0.22 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1pqs h LYS 838 Cb 0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1pqs h LYS 838 CO -0.04 0.08 0.35 0.93 -0.57 0.00 0.00 179.45 180.20 1pqs h GLU 839 N 0.12 0.88 0.17 3.15 5.08 -1.03 -0.54 114.58 122.40 1pqs h GLU 839 Ca 0.07 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1pqs h GLU 839 Cb 0.05 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1pqs h GLU 839 CO -0.08 0.66 -0.20 1.98 -1.00 0.00 0.00 179.01 180.37 1pqs h MET 840 N 0.86 -0.40 0.02 2.33 4.05 -0.02 0.15 114.93 121.92 1pqs h MET 840 Ca 0.22 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 1pqs h MET 840 Cb 0.03 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1pqs h MET 840 CO -0.04 -0.26 -0.03 -0.07 0.23 0.00 0.00 176.91 176.74 1pqs h LEU 841 N -0.41 -0.09 0.02 3.39 4.07 -0.12 -0.54 115.31 121.63 1pqs h LEU 841 Ca 0.01 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1pqs h LEU 841 Cb 0.40 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.18 1pqs h LEU 841 CO -0.07 -0.05 -0.01 0.00 -1.08 0.00 0.00 178.44 177.23 1pqs h ALA 842 N 0.91 -0.03 0.06 1.53 0.00 -0.98 0.77 119.26 121.52 1pqs h ALA 842 Ca 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1pqs h ALA 842 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pqs h ALA 842 CO -0.02 -0.37 -0.03 1.49 0.00 0.00 0.00 179.25 180.32 1pqs h GLU 843 N -0.33 -0.07 -0.29 0.00 4.57 -0.72 -3.18 114.58 114.56 1pqs h GLU 843 Ca -0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 1pqs h GLU 843 Cb 0.32 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1pqs h GLU 843 CO 0.01 0.26 -0.28 -0.91 -1.18 0.00 0.00 179.01 176.91 1pqs h ASN 844 N -0.41 0.59 0.00 1.04 2.35 -1.19 -3.47 115.58 114.49 1pqs h ASN 844 Ca -0.01 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1pqs h ASN 844 Cb 0.37 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1pqs h ASN 844 CO 0.01 0.85 0.00 -0.46 -1.65 0.00 0.00 177.43 176.18 1pqs n ASN 845 N -4.10 0.00 0.39 5.81 0.23 0.25 -4.97 115.26 112.88 1pqs n ASN 845 Ca -0.01 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.86 1pqs n ASN 845 Cb 0.44 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.05 1pqs n ASN 845 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1pqs h GLU 846 N 3.88 -0.93 0.00 -3.83 4.39 -1.80 -3.45 114.58 112.84 1pqs h GLU 846 Ca 0.00 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1pqs h GLU 846 Cb 0.00 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1pqs h GLU 846 CO 0.00 -0.61 0.00 1.17 -1.16 0.00 0.00 179.01 178.41 1pqs n LYS 847 N -5.49 0.00 -1.82 2.33 4.81 -1.24 -4.88 118.16 111.86 1pqs n LYS 847 Ca -0.14 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.88 1pqs n LYS 847 Cb 0.39 -1.96 -0.03 0.00 0.02 0.00 0.00 35.03 33.45 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 -0.23 2.23 -0.02 5.64 5.36 -1.26 -4.06 117.98 125.64 1pqs s PHE 848 Ca 0.00 0.13 0.04 0.00 -0.96 0.00 0.00 56.93 56.14 1pqs s PHE 848 Cb 0.00 -4.07 -0.01 0.00 -0.34 0.00 0.00 43.02 38.60 1pqs s PHE 848 CO 0.00 -4.39 -0.15 -1.17 -1.46 0.00 0.00 175.22 168.05 1pqs s LEU 849 N 2.80 1.97 0.04 6.12 0.20 -0.48 -2.47 118.68 126.87 1pqs s LEU 849 Ca 0.78 -0.29 0.06 0.00 0.69 0.00 0.00 54.13 55.36 1pqs s LEU 849 Cb -0.42 -0.83 -0.02 0.00 -0.43 0.00 0.00 46.19 44.48 1pqs s LEU 849 CO 0.34 0.17 -0.17 0.20 -0.29 0.00 0.00 176.35 176.61 1pqs s ASN 850 N -0.20 1.97 -0.11 3.68 0.01 -0.04 -0.28 114.94 119.96 1pqs s ASN 850 Ca 0.03 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 1pqs s ASN 850 Cb -0.08 -0.14 0.02 0.00 0.41 0.00 0.00 41.25 41.46 1pqs s ASN 850 CO 0.00 0.08 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.91 1pqs s ILE 851 N -0.85 1.35 -0.20 0.60 -1.09 0.16 0.46 121.20 121.64 1pqs s ILE 851 Ca 0.04 -0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 57.87 1pqs s ILE 851 Cb -0.08 -1.26 -0.02 0.00 -1.58 0.00 0.00 42.46 39.52 1pqs s ILE 851 CO 0.02 0.41 -0.03 -0.60 -1.23 0.00 0.00 174.94 173.51 1pqs s ARG 852 N 1.14 3.51 -0.25 2.79 3.52 0.21 -0.37 118.95 129.50 1pqs s ARG 852 Ca -0.04 -0.57 -0.10 0.00 -0.13 0.00 0.00 55.73 54.89 1pqs s ARG 852 Cb -0.14 -3.01 -0.05 0.00 -1.56 0.00 0.00 34.95 30.19 1pqs s ARG 852 CO -0.03 -0.05 0.15 -0.51 -0.81 0.00 0.00 175.30 174.05 1pqs s LEU 853 N 1.11 3.97 0.00 -0.88 2.01 -0.55 -1.47 118.68 122.88 1pqs s LEU 853 Ca 0.02 0.03 0.00 0.00 0.01 0.00 0.00 54.13 54.18 1pqs s LEU 853 Cb -0.15 -2.08 0.00 0.00 0.01 0.00 0.00 46.19 43.98 1pqs s LEU 853 CO 0.00 0.02 0.17 0.00 1.01 0.00 0.00 176.35 177.55