#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbt s PRO 781 N 0.00 3.34 0.00 1.61 0.04 -1.26 -4.27 135.00 134.46 2kbt s PRO 781 Ca 0.00 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2kbt s PRO 781 Cb 0.00 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2kbt s PRO 781 CO 0.00 -1.87 0.00 0.41 0.04 0.00 0.00 177.00 175.58 2kbt n GLY 782 N 5.24 -0.21 3.45 0.56 0.00 -1.26 -5.14 105.19 107.84 2kbt n GLY 782 Ca 0.15 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2kbt n GLY 782 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kbt n THR 783 N 0.00 2.03 -4.50 2.61 -1.04 -1.26 -5.01 114.28 107.11 2kbt n THR 783 Ca 0.00 -0.48 -0.24 0.00 -2.04 0.00 0.00 64.05 61.29 2kbt n THR 783 Cb 0.00 -0.65 -0.06 0.00 -1.82 0.00 0.00 70.33 67.81 2kbt n THR 783 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2kbt n PHE 784 N -1.81 0.46 0.00 -1.42 3.72 -1.26 -5.14 117.46 112.00 2kbt n PHE 784 Ca 0.11 -2.15 0.00 0.00 -0.05 0.00 0.00 57.45 55.36 2kbt n PHE 784 Cb 0.48 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 2kbt n PHE 784 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kbt n GLY 785 N -0.20 2.93 3.02 1.37 0.00 -1.26 -5.04 105.19 106.01 2kbt n GLY 785 Ca -0.10 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 2kbt n GLY 785 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kbt n THR 786 N 0.00 0.00 -3.35 2.61 -2.24 -1.26 -2.60 114.28 107.44 2kbt n THR 786 Ca 0.00 -2.26 -0.11 0.00 -2.27 0.00 0.00 64.05 59.40 2kbt n THR 786 Cb 0.00 1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 69.22 2kbt n THR 786 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kbt s ALA 787 N -3.22 -0.95 -0.30 6.98 0.00 0.49 -4.23 121.76 120.52 2kbt s ALA 787 Ca 0.34 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 2kbt s ALA 787 Cb 0.02 -1.81 -0.00 0.00 0.00 0.00 0.00 23.12 21.32 2kbt s ALA 787 CO 0.24 -1.51 1.39 0.21 0.00 0.00 0.00 175.76 176.09 2kbt s LYS 788 N 2.49 3.82 0.14 0.00 2.20 -1.24 0.11 119.74 127.27 2kbt s LYS 788 Ca 0.11 1.28 -0.32 0.00 -0.36 0.00 0.00 55.97 56.68 2kbt s LYS 788 Cb -0.14 -3.94 -0.11 0.00 -1.51 0.00 0.00 37.83 32.12 2kbt s LYS 788 CO -0.24 -1.24 1.78 0.00 -0.36 0.00 0.00 175.35 175.29 2kbt n ALA 789 N 8.04 2.20 0.65 3.13 0.00 0.18 -2.16 120.51 132.55 2kbt n ALA 789 Ca 0.16 0.35 0.07 0.00 0.00 0.00 0.00 53.44 54.02 2kbt n ALA 789 Cb 0.47 -2.54 0.02 0.00 0.00 0.00 0.00 19.45 17.39 2kbt n ALA 789 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kbt n ARG 790 N 5.00 1.56 -3.68 0.00 5.12 -1.13 -2.29 116.66 121.24 2kbt n ARG 790 Ca 0.18 -0.99 -0.09 0.00 -1.93 0.00 0.00 57.85 55.02 2kbt n ARG 790 Cb 0.35 -1.25 -0.10 0.00 -1.16 0.00 0.00 32.46 30.30 2kbt n ARG 790 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2kbt s TYR 791 N -1.61 -0.73 -0.29 -1.55 1.51 -1.22 -4.84 117.35 108.62 2kbt s TYR 791 Ca 0.14 1.50 -0.28 0.00 -1.01 0.00 0.00 57.07 57.42 2kbt s TYR 791 Cb 0.12 0.35 -0.03 0.00 -0.11 0.00 0.00 41.96 42.29 2kbt s TYR 791 CO 0.31 -0.41 1.97 0.16 -1.11 0.00 0.00 175.55 176.48 2kbt s ASP 792 N 1.66 5.70 -0.17 2.29 3.84 -1.26 -4.34 116.67 124.39 2kbt s ASP 792 Ca -0.08 1.54 -0.07 0.00 -0.00 0.00 0.00 52.55 53.93 2kbt s ASP 792 Cb -0.08 -2.52 -0.04 0.00 -1.38 0.00 0.00 42.92 38.89 2kbt s ASP 792 CO -0.14 -1.82 0.08 0.12 -0.00 0.00 0.00 175.17 173.41 2kbt s PHE 793 N 7.50 3.31 -0.12 2.11 5.36 -0.98 -4.93 117.98 130.23 2kbt s PHE 793 Ca 0.88 0.18 -0.22 0.00 -0.96 0.00 0.00 56.93 56.81 2kbt s PHE 793 Cb -0.27 -2.05 -0.03 0.00 -0.34 0.00 0.00 43.02 40.33 2kbt s PHE 793 CO 0.34 0.27 0.65 0.00 -1.46 0.00 0.00 175.22 175.03 2kbt s ALA 795 N 1.19 2.96 0.44 0.00 0.00 -1.26 -4.86 121.76 120.23 2kbt s ALA 795 Ca 0.33 -1.20 0.34 0.00 0.00 0.00 0.00 51.96 51.44 2kbt s ALA 795 Cb -0.17 -4.03 1.47 0.00 0.00 0.00 0.00 23.12 20.40 2kbt s ALA 795 CO 0.14 -2.82 1.49 2.89 0.00 0.00 0.00 175.76 177.46 2kbt n ARG 796 N 8.46 -0.03 -3.89 0.00 1.85 -1.26 -4.58 116.66 117.21 2kbt n ARG 796 Ca 0.04 1.17 -0.09 0.00 -1.00 0.00 0.00 57.85 57.97 2kbt n ARG 796 Cb 0.48 -2.37 -0.01 0.00 -1.05 0.00 0.00 32.46 29.51 2kbt n ARG 796 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2kbt s ASP 797 N -4.20 0.03 0.58 2.89 1.01 -1.26 -5.01 116.67 110.71 2kbt s ASP 797 Ca -0.07 -1.00 0.28 0.00 0.71 0.00 0.00 52.55 52.48 2kbt s ASP 797 Cb 0.29 0.75 1.72 0.00 1.01 0.00 0.00 42.92 46.68 2kbt s ASP 797 CO 0.80 -1.45 2.20 -0.09 0.21 0.00 0.00 175.17 176.84 2kbt h ARG 798 N 2.06 0.00 0.00 8.23 9.65 -1.99 0.28 114.38 132.60 2kbt h ARG 798 Ca -0.27 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.60 2kbt h ARG 798 Cb 1.25 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.83 2kbt h ARG 798 CO 0.34 0.00 -0.07 0.66 2.80 0.00 0.00 179.97 183.70 2kbt h SER 799 N 0.00 0.00 -2.96 -3.80 4.64 -1.94 -3.43 113.55 106.06 2kbt h SER 799 Ca 0.03 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.73 2kbt h SER 799 Cb 0.14 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.18 2kbt h SER 799 CO -0.00 0.07 -0.38 -0.70 -0.87 0.00 0.00 176.83 174.95 2kbt s GLU 800 N -3.77 3.58 0.02 4.77 2.56 0.97 -3.76 118.70 123.07 2kbt s GLU 800 Ca -0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 54.97 54.61 2kbt s GLU 800 Cb 0.10 -3.03 -0.05 0.00 2.00 0.00 0.00 34.13 33.16 2kbt s GLU 800 CO 0.56 0.61 0.79 -1.17 -0.56 0.00 0.00 175.26 175.48 2kbt s LEU 801 N -2.01 4.41 -0.24 2.70 2.96 0.19 -4.67 118.68 122.02 2kbt s LEU 801 Ca 0.31 1.44 -0.15 0.00 -0.22 0.00 0.00 54.13 55.50 2kbt s LEU 801 Cb -0.13 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 2kbt s LEU 801 CO 0.19 -0.05 0.39 -0.55 -1.32 0.00 0.00 176.35 175.01 2kbt s SER 802 N 0.26 6.34 0.32 3.68 0.15 -1.26 -4.45 113.70 118.74 2kbt s SER 802 Ca 0.40 0.40 0.02 0.00 0.70 0.00 0.00 55.95 57.47 2kbt s SER 802 Cb -0.20 -2.22 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 2kbt s SER 802 CO 0.23 -0.14 0.50 -0.76 1.20 0.00 0.00 173.24 174.27 2kbt s LEU 803 N 1.75 4.07 -0.28 3.45 1.02 -0.76 -4.94 118.68 123.00 2kbt s LEU 803 Ca 0.17 0.31 -0.02 0.00 0.02 0.00 0.00 54.13 54.61 2kbt s LEU 803 Cb -0.15 -3.16 0.17 0.00 0.02 0.00 0.00 46.19 43.07 2kbt s LEU 803 CO 0.09 -0.26 0.53 -0.75 0.02 0.00 0.00 176.35 175.98 2kbt s LYS 804 N -4.23 0.50 0.13 1.70 2.36 -1.26 -2.31 119.74 116.63 2kbt s LYS 804 Ca 0.39 0.89 -0.30 0.00 -2.55 0.00 0.00 55.97 54.40 2kbt s LYS 804 Cb -0.09 0.27 -0.17 0.00 -1.05 0.00 0.00 37.83 36.79 2kbt s LYS 804 CO 0.34 -0.60 0.67 0.39 1.55 0.00 0.00 175.35 177.69 2kbt n GLU 805 N 5.41 0.00 -0.68 4.03 1.02 -1.26 -0.47 120.64 128.69 2kbt n GLU 805 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2kbt n GLU 805 Cb 0.51 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 2kbt n GLU 805 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kbt n GLY 806 N 1.73 0.73 3.72 0.62 0.00 -0.97 -4.99 105.19 106.02 2kbt n GLY 806 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2kbt n GLY 806 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kbt s ASP 807 N -2.39 5.00 -0.08 1.61 1.11 0.38 -4.96 116.67 117.33 2kbt s ASP 807 Ca 0.00 -0.38 -0.00 0.00 0.18 0.00 0.00 52.55 52.35 2kbt s ASP 807 Cb 0.00 -1.13 -0.03 0.00 1.07 0.00 0.00 42.92 42.83 2kbt s ASP 807 CO 0.00 0.04 -0.05 0.27 1.18 0.00 0.00 175.17 176.61 2kbt s ILE 808 N -1.97 3.85 -0.22 0.77 -0.00 -1.26 0.51 121.20 122.87 2kbt s ILE 808 Ca 0.30 -0.42 -0.01 0.00 -0.00 0.00 0.00 60.65 60.52 2kbt s ILE 808 Cb -0.08 -2.59 0.02 0.00 -0.00 0.00 0.00 42.46 39.80 2kbt s ILE 808 CO 0.21 0.59 -0.10 -0.63 -0.00 0.00 0.00 174.94 175.01 2kbt s ILE 809 N -0.68 2.71 -0.32 8.37 1.09 0.31 -4.85 121.20 127.83 2kbt s ILE 809 Ca 0.10 -0.93 -0.29 0.00 -1.10 0.00 0.00 60.65 58.44 2kbt s ILE 809 Cb -0.11 -2.30 0.00 0.00 -1.06 0.00 0.00 42.46 38.99 2kbt s ILE 809 CO 0.02 0.33 1.29 -0.75 -0.10 0.00 0.00 174.94 175.73 2kbt s LYS 810 N 1.33 3.87 -0.01 2.79 2.47 -1.20 0.18 119.74 129.18 2kbt s LYS 810 Ca 0.02 1.16 -0.30 0.00 -1.56 0.00 0.00 55.97 55.29 2kbt s LYS 810 Cb -0.15 -3.89 -0.05 0.00 -1.46 0.00 0.00 37.83 32.27 2kbt s LYS 810 CO -0.07 -1.18 1.43 0.42 0.16 0.00 0.00 175.35 176.12 2kbt s ILE 811 N 4.46 3.69 -0.05 5.43 -1.09 -1.07 -3.04 121.20 129.53 2kbt s ILE 811 Ca 0.56 1.04 -0.01 0.00 -2.23 0.00 0.00 60.65 60.01 2kbt s ILE 811 Cb -0.15 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 2kbt s ILE 811 CO 0.24 -0.02 -0.05 0.18 -1.23 0.00 0.00 174.94 174.06 2kbt n LEU 812 N 5.63 2.04 -4.21 2.97 4.77 -0.18 -4.60 117.00 123.42 2kbt n LEU 812 Ca 0.14 0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 2kbt n LEU 812 Cb 0.43 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2kbt n LEU 812 CO 0.59 0.41 -0.41 0.21 -1.33 0.00 0.00 177.39 176.86 2kbt s ASN 813 N -4.84 1.55 -0.44 -1.43 2.47 0.92 -5.00 114.94 108.18 2kbt s ASN 813 Ca -0.07 -0.92 0.04 0.00 0.42 0.00 0.00 52.86 52.34 2kbt s ASN 813 Cb 0.02 0.01 0.18 0.00 -1.45 0.00 0.00 41.25 40.01 2kbt s ASN 813 CO 0.11 -0.32 0.37 0.29 -3.72 0.00 0.00 177.10 173.83 2kbt n LYS 814 N 0.18 0.41 -0.09 0.43 5.02 -1.26 -1.88 118.16 120.97 2kbt n LYS 814 Ca -0.13 -3.32 -0.09 0.00 -2.02 0.00 0.00 58.31 52.75 2kbt n LYS 814 Cb 0.59 -1.71 0.08 0.00 -0.02 0.00 0.00 35.03 33.98 2kbt n LYS 814 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kbt n LYS 815 N 2.63 -2.37 -1.24 1.97 4.76 -1.23 -4.79 118.16 117.89 2kbt n LYS 815 Ca 0.28 -0.41 -0.43 0.00 -2.87 0.00 0.00 58.31 54.88 2kbt n LYS 815 Cb 0.47 -0.57 -0.03 0.00 -1.84 0.00 0.00 35.03 33.06 2kbt n LYS 815 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kbt n GLY 816 N -1.54 -1.59 3.50 0.72 0.00 -1.26 -4.78 105.19 100.24 2kbt n GLY 816 Ca 0.04 0.29 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 2kbt n GLY 816 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kbt n GLN 817 N 0.90 -1.93 -1.91 1.61 6.02 -1.26 -2.42 117.38 118.39 2kbt n GLN 817 Ca 0.16 -0.53 -0.06 0.00 -0.01 0.00 0.00 57.00 56.56 2kbt n GLN 817 Cb 0.23 -2.17 -0.01 0.00 1.02 0.00 0.00 30.24 29.30 2kbt n GLN 817 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kbt n GLN 818 N -4.52 -1.97 0.00 -1.09 10.64 -1.26 -4.76 117.38 114.42 2kbt n GLN 818 Ca 0.05 0.33 0.00 0.00 -1.83 0.00 0.00 57.00 55.55 2kbt n GLN 818 Cb 0.54 -4.69 0.00 0.00 -0.86 0.00 0.00 30.24 25.23 2kbt n GLN 818 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kbt n GLY 819 N -0.42 0.88 3.30 2.61 0.00 -1.02 -5.04 105.19 105.50 2kbt n GLY 819 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 2kbt n GLY 819 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2kbt s TRP 820 N 1.57 1.12 -0.04 1.61 -2.14 -1.25 -4.03 118.94 115.77 2kbt s TRP 820 Ca 0.00 -1.31 0.02 0.00 2.66 0.00 0.00 56.10 57.47 2kbt s TRP 820 Cb 0.00 -0.43 0.01 0.00 -3.10 0.00 0.00 33.47 29.95 2kbt s TRP 820 CO 0.00 -0.77 -0.09 -1.58 -2.66 0.00 0.00 176.95 171.85 2kbt s TRP 821 N -3.95 1.09 -0.38 1.66 0.51 0.89 -3.53 118.94 115.22 2kbt s TRP 821 Ca 0.36 -0.33 -0.21 0.00 -2.12 0.00 0.00 56.10 53.80 2kbt s TRP 821 Cb 0.05 -0.81 0.01 0.00 -0.81 0.00 0.00 33.47 31.90 2kbt s TRP 821 CO 0.15 -0.18 0.67 0.50 -0.51 0.00 0.00 176.95 177.58 2kbt s ARG 822 N 0.50 3.57 0.00 4.98 3.52 -0.79 -2.55 118.95 128.19 2kbt s ARG 822 Ca -0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 2kbt s ARG 822 Cb -0.12 -3.85 0.00 0.00 -1.56 0.00 0.00 34.95 29.41 2kbt s ARG 822 CO 0.01 -0.85 0.00 0.41 -0.81 0.00 0.00 175.30 174.06 2kbt n GLY 823 N 4.77 5.43 3.49 8.12 0.00 -1.15 -0.05 105.19 125.80 2kbt n GLY 823 Ca -0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 2kbt n GLY 823 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kbt s GLU 824 N 1.85 0.96 -0.19 1.61 2.12 -1.17 -3.01 118.70 120.86 2kbt s GLU 824 Ca 0.00 -0.19 -0.10 0.00 0.36 0.00 0.00 54.97 55.04 2kbt s GLU 824 Cb 0.00 0.44 0.07 0.00 0.26 0.00 0.00 34.13 34.90 2kbt s GLU 824 CO 0.00 -0.38 0.45 0.42 -0.54 0.00 0.00 175.26 175.21 2kbt s ILE 825 N -2.68 -0.14 -2.05 -3.70 1.01 0.39 -3.25 121.20 110.79 2kbt s ILE 825 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2kbt s ILE 825 Cb -0.01 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.79 2kbt s ILE 825 CO -0.05 0.04 0.00 -1.22 0.00 0.00 0.00 174.94 173.70 2kbt n TYR 826 N 4.48 -0.24 -0.54 3.97 4.01 -1.26 -0.08 117.16 127.50 2kbt n TYR 826 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 2kbt n TYR 826 Cb 0.55 -3.51 0.00 0.00 -0.31 0.00 0.00 39.34 36.06 2kbt n TYR 826 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kbt n GLY 827 N -0.62 0.75 3.59 2.72 0.00 -1.26 -5.03 105.19 105.34 2kbt n GLY 827 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2kbt n GLY 827 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kbt s ARG 828 N -0.46 3.93 0.36 1.61 0.52 0.88 -5.07 118.95 120.72 2kbt s ARG 828 Ca 0.00 -0.04 -0.01 0.00 -0.52 0.00 0.00 55.73 55.16 2kbt s ARG 828 Cb 0.00 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 2kbt s ARG 828 CO 0.00 -0.33 0.59 0.42 0.02 0.00 0.00 175.30 176.00 2kbt s ILE 829 N 2.08 5.06 -3.81 1.52 -1.09 -1.26 -0.46 121.20 123.24 2kbt s ILE 829 Ca 0.15 -0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 2kbt s ILE 829 Cb -0.16 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2kbt s ILE 829 CO 0.10 -0.58 0.00 0.61 -1.23 0.00 0.00 174.94 173.84 2kbt n GLY 830 N -1.75 -0.51 3.47 6.18 0.00 -1.16 -4.65 105.19 106.76 2kbt n GLY 830 Ca -0.03 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 2kbt n GLY 830 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kbt s TRP 831 N -3.13 1.80 -0.27 1.61 0.52 -1.25 -2.93 118.94 115.29 2kbt s TRP 831 Ca 0.00 -1.19 -0.33 0.00 0.02 0.00 0.00 56.10 54.60 2kbt s TRP 831 Cb 0.00 -1.15 0.17 0.00 -1.15 0.00 0.00 33.47 31.34 2kbt s TRP 831 CO 0.00 -0.23 1.34 -0.59 0.02 0.00 0.00 176.95 177.49 2kbt s PHE 832 N -3.31 -0.05 0.41 -1.98 -0.12 -1.06 0.54 117.98 112.41 2kbt s PHE 832 Ca 0.29 0.06 -0.24 0.00 -0.05 0.00 0.00 56.93 57.00 2kbt s PHE 832 Cb 0.05 0.50 -0.09 0.00 -0.63 0.00 0.00 43.02 42.85 2kbt s PHE 832 CO 0.15 -0.06 1.06 -1.25 -0.05 0.00 0.00 175.22 175.06 2kbt s PRO 833 N -1.52 4.13 0.00 1.99 0.04 -1.26 -0.08 135.00 138.30 2kbt s PRO 833 Ca 0.09 1.52 0.28 0.00 0.04 0.00 0.00 61.00 62.93 2kbt s PRO 833 Cb -0.01 -2.51 1.04 0.00 0.04 0.00 0.00 34.50 33.06 2kbt s PRO 833 CO -0.05 -0.17 1.78 -1.13 0.04 0.00 0.00 177.00 177.46 2kbt n SER 834 N -0.13 0.23 0.09 6.66 3.41 -1.26 -3.06 113.62 119.56 2kbt n SER 834 Ca 0.05 0.04 0.13 0.00 -0.26 0.00 0.00 58.87 58.83 2kbt n SER 834 Cb 0.50 -0.19 0.45 0.00 -0.26 0.00 0.00 64.21 64.70 2kbt n SER 834 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kbt n ASN 835 N -1.38 0.65 -0.81 4.04 3.02 -1.26 -2.85 115.26 116.65 2kbt n ASN 835 Ca 0.08 0.58 0.03 0.00 -0.03 0.00 0.00 54.58 55.24 2kbt n ASN 835 Cb 0.32 -0.75 0.21 0.00 -0.61 0.00 0.00 39.78 38.95 2kbt n ASN 835 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2kbt n TYR 836 N -2.12 0.70 -3.90 3.10 4.02 -1.17 -4.98 117.16 112.80 2kbt n TYR 836 Ca 0.05 -1.29 -0.09 0.00 -0.01 0.00 0.00 57.90 56.57 2kbt n TYR 836 Cb 0.37 -0.35 -0.04 0.00 -0.02 0.00 0.00 39.34 39.30 2kbt n TYR 836 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2kbt s VAL 837 N -3.07 0.01 0.43 -0.72 -7.23 -1.13 -2.85 120.40 105.83 2kbt s VAL 837 Ca 0.41 -1.17 0.07 0.00 -1.81 0.00 0.00 61.98 59.47 2kbt s VAL 837 Cb 0.36 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 2kbt s VAL 837 CO 0.02 -0.05 0.11 -1.61 -0.31 0.00 0.00 175.10 173.26 2kbt s GLU 838 N -3.96 2.13 -0.11 4.82 2.02 -0.92 -4.84 118.70 117.84 2kbt s GLU 838 Ca 0.17 -2.00 -0.10 0.00 0.02 0.00 0.00 54.97 53.05 2kbt s GLU 838 Cb -0.01 -1.82 0.03 0.00 0.10 0.00 0.00 34.13 32.43 2kbt s GLU 838 CO 0.05 -0.14 0.29 -1.21 0.02 0.00 0.00 175.26 174.27 2kbt s GLU 839 N -3.85 0.35 -0.61 1.61 0.41 -1.26 -3.66 118.70 111.69 2kbt s GLU 839 Ca 0.35 0.41 0.00 0.00 -0.41 0.00 0.00 54.97 55.32 2kbt s GLU 839 Cb 0.06 0.17 0.00 0.00 -1.78 0.00 0.00 34.13 32.57 2kbt s GLU 839 CO 0.19 -0.04 0.00 -3.47 -0.49 0.00 0.00 175.26 171.45 2kbt n ASP 840 N 2.91 -2.22 -3.16 -0.19 2.03 -1.26 -4.87 116.55 109.79 2kbt n ASP 840 Ca -0.13 0.27 -0.16 0.00 0.52 0.00 0.00 54.79 55.29 2kbt n ASP 840 Cb 0.58 -2.09 0.15 0.00 -0.72 0.00 0.00 41.12 39.04 2kbt n ASP 840 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbt n TYR 841 N -2.36 -2.79 -3.72 -0.67 0.18 -1.26 -5.05 117.16 101.48 2kbt n TYR 841 Ca -0.07 -0.38 -0.24 0.00 1.88 0.00 0.00 57.90 59.09 2kbt n TYR 841 Cb 0.42 -0.73 -0.01 0.00 -0.38 0.00 0.00 39.34 38.64 2kbt n TYR 841 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2kbt s SER 842 N -2.45 4.78 0.05 9.48 1.04 -1.26 -5.13 113.70 120.20 2kbt s SER 842 Ca 0.35 -1.06 0.05 0.00 0.48 0.00 0.00 55.95 55.76 2kbt s SER 842 Cb -0.06 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 2kbt s SER 842 CO 0.29 -0.98 -0.06 -0.70 0.98 0.00 0.00 173.24 172.77 2kbt s GLU 843 N -4.26 2.44 -0.45 4.02 2.12 -1.26 -5.04 118.70 116.26 2kbt s GLU 843 Ca 0.41 -0.83 0.06 0.00 0.36 0.00 0.00 54.97 54.97 2kbt s GLU 843 Cb -0.02 -2.46 0.41 0.00 0.26 0.00 0.00 34.13 32.32 2kbt s GLU 843 CO 0.25 0.56 1.08 0.98 -0.54 0.00 0.00 175.26 177.60 2kbt n TYR 844 N 1.10 3.35 -1.09 5.30 4.19 -1.26 -5.09 117.16 123.66 2kbt n TYR 844 Ca -0.14 -3.19 -0.37 0.00 3.31 0.00 0.00 57.90 57.52 2kbt n TYR 844 Cb 0.52 -0.14 0.05 0.00 0.49 0.00 0.00 39.34 40.26 2kbt n TYR 844 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2kbt n LEU 845 N -0.43 -3.58 -4.77 2.98 4.77 -1.26 -4.94 117.00 109.76 2kbt n LEU 845 Ca 0.37 0.40 -0.30 0.00 -0.03 0.00 0.00 56.01 56.45 2kbt n LEU 845 Cb 0.64 -0.91 0.19 0.00 -2.33 0.00 0.00 43.42 41.01 2kbt n LEU 845 CO 0.33 -4.94 0.74 -2.16 -1.33 0.00 0.00 177.39 170.03 2kbt s PRO 846 N -2.03 0.17 0.35 3.23 0.04 -1.26 -4.92 135.00 130.57 2kbt s PRO 846 Ca 0.51 -0.08 0.26 0.00 0.04 0.00 0.00 61.00 61.73 2kbt s PRO 846 Cb -0.30 -1.76 1.17 0.00 0.04 0.00 0.00 34.50 33.65 2kbt s PRO 846 CO 0.72 -2.79 1.79 0.93 0.04 0.00 0.00 177.00 177.70 2kbt h GLU 847 N -1.91 0.00 0.00 4.56 4.39 -2.07 -3.56 114.58 115.98 2kbt h GLU 847 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2kbt h GLU 847 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2kbt h GLU 847 CO 0.44 0.00 0.00 -2.37 -1.16 0.00 0.00 179.01 175.92