#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbt n PRO 781 N 0.00 2.16 -1.53 1.61 -0.04 -1.26 -4.73 135.00 131.21 2kbt n PRO 781 Ca 0.00 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 2kbt n PRO 781 Cb 0.00 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.33 2kbt n PRO 781 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kbt n GLY 782 N 4.41 0.20 2.63 0.55 0.00 -1.26 -4.95 105.19 106.77 2kbt n GLY 782 Ca 0.50 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 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 9.00 2.80 -1.19 2.61 -1.04 -1.26 -5.06 114.28 120.14 2kbt n THR 783 Ca 0.00 -5.01 -0.31 0.00 -2.04 0.00 0.00 64.05 56.69 2kbt n THR 783 Cb 0.00 -1.30 0.11 0.00 -1.82 0.00 0.00 70.33 67.32 2kbt n THR 783 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2kbt s PHE 784 N -3.63 2.45 0.00 -1.42 0.08 -1.26 -5.06 117.98 109.14 2kbt s PHE 784 Ca 0.48 1.54 0.00 0.00 0.12 0.00 0.00 56.93 59.08 2kbt s PHE 784 Cb 0.38 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 2kbt s PHE 784 CO -0.21 -1.98 0.00 0.41 -0.10 0.00 0.00 175.22 173.34 2kbt n GLY 785 N -1.05 1.51 2.74 4.36 0.00 -1.26 -4.96 105.19 106.54 2kbt n GLY 785 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.43 2.61 -2.24 -1.26 -2.85 114.28 107.11 2kbt n THR 786 Ca 0.00 -1.96 -0.13 0.00 -2.27 0.00 0.00 64.05 59.69 2kbt n THR 786 Cb 0.00 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.14 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 -3.05 -0.71 -0.22 6.98 0.00 0.19 -4.34 121.76 120.63 2kbt s ALA 787 Ca 0.32 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.62 2kbt s ALA 787 Cb 0.01 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.66 2kbt s ALA 787 CO 0.23 -1.20 1.04 0.21 0.00 0.00 0.00 175.76 176.04 2kbt s LYS 788 N 2.44 4.27 0.26 0.00 2.20 -0.56 0.18 119.74 128.53 2kbt s LYS 788 Ca 0.09 1.37 -0.30 0.00 -0.36 0.00 0.00 55.97 56.77 2kbt s LYS 788 Cb -0.15 -3.63 -0.10 0.00 -1.51 0.00 0.00 37.83 32.43 2kbt s LYS 788 CO -0.14 -0.61 1.45 0.00 -0.36 0.00 0.00 175.35 175.69 2kbt s ALA 789 N 3.11 3.63 -1.01 3.13 0.00 0.10 0.27 121.76 130.99 2kbt s ALA 789 Ca 0.45 1.35 0.13 0.00 0.00 0.00 0.00 51.96 53.89 2kbt s ALA 789 Cb -0.15 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 2kbt s ALA 789 CO 0.07 -0.77 0.69 0.54 0.00 0.00 0.00 175.76 176.29 2kbt n ARG 790 N 2.22 2.17 -3.81 0.00 5.12 0.21 -2.83 116.66 119.74 2kbt n ARG 790 Ca 0.06 -0.46 -0.13 0.00 -1.93 0.00 0.00 57.85 55.40 2kbt n ARG 790 Cb 0.40 -1.17 -0.14 0.00 -1.16 0.00 0.00 32.46 30.39 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 -1.88 -0.07 -0.64 -1.55 1.51 -1.21 -4.87 117.35 108.65 2kbt s TYR 791 Ca 0.09 0.23 -0.26 0.00 -1.01 0.00 0.00 57.07 56.11 2kbt s TYR 791 Cb 0.11 -0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 41.86 2kbt s TYR 791 CO 0.41 -0.07 1.96 0.16 -1.11 0.00 0.00 175.55 176.90 2kbt s ASP 792 N 0.52 5.10 0.89 2.29 3.84 -1.26 -3.85 116.67 124.19 2kbt s ASP 792 Ca -0.04 0.30 -0.11 0.00 -0.00 0.00 0.00 52.55 52.69 2kbt s ASP 792 Cb -0.06 -2.53 0.18 0.00 -1.38 0.00 0.00 42.92 39.13 2kbt s ASP 792 CO -0.02 -2.54 1.22 0.12 -0.00 0.00 0.00 175.17 173.95 2kbt s PHE 793 N 9.81 1.56 -0.24 2.11 5.36 -0.71 -4.92 117.98 130.94 2kbt s PHE 793 Ca 0.72 0.12 -0.03 0.00 -0.96 0.00 0.00 56.93 56.79 2kbt s PHE 793 Cb -0.12 -3.77 0.13 0.00 -0.34 0.00 0.00 43.02 38.92 2kbt s PHE 793 CO 0.18 -2.37 0.41 0.00 -1.46 0.00 0.00 175.22 171.97 2kbt s ALA 795 N 2.59 3.34 -0.21 0.00 0.00 -1.26 -4.94 121.76 121.28 2kbt s ALA 795 Ca 0.12 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.70 2kbt s ALA 795 Cb -0.15 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2kbt s ALA 795 CO -0.16 0.19 0.24 2.89 0.00 0.00 0.00 175.76 178.92 2kbt n ARG 796 N 1.66 4.44 -3.74 0.00 -4.01 -1.26 -5.02 116.66 108.73 2kbt n ARG 796 Ca -0.02 -0.17 -0.10 0.00 -1.04 0.00 0.00 57.85 56.53 2kbt n ARG 796 Cb 0.47 -0.74 -0.04 0.00 -3.04 0.00 0.00 32.46 29.11 2kbt n ARG 796 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 2kbt s ASP 797 N -1.05 -0.22 0.52 2.89 -1.08 -1.26 -5.02 116.67 111.46 2kbt s ASP 797 Ca 0.02 -0.50 0.35 0.00 -0.52 0.00 0.00 52.55 51.90 2kbt s ASP 797 Cb 0.02 0.54 1.69 0.00 -1.46 0.00 0.00 42.92 43.71 2kbt s ASP 797 CO 0.10 -0.99 2.05 0.08 0.52 0.00 0.00 175.17 176.93 2kbt h ARG 798 N 2.27 0.00 0.00 4.34 0.11 -1.96 -0.05 114.38 119.08 2kbt h ARG 798 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.78 2kbt h ARG 798 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2kbt h ARG 798 CO 0.41 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 179.35 2kbt n SER 799 N -2.85 0.00 -4.45 0.08 3.41 -1.26 -4.20 113.62 104.34 2kbt n SER 799 Ca -0.01 0.31 -0.28 0.00 -0.26 0.00 0.00 58.87 58.63 2kbt n SER 799 Cb 0.17 -0.42 -0.12 0.00 -0.26 0.00 0.00 64.21 63.58 2kbt n SER 799 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2kbt s GLU 800 N -2.84 1.63 -0.13 4.33 2.56 -0.04 -2.97 118.70 121.25 2kbt s GLU 800 Ca 0.13 -1.33 -0.07 0.00 0.00 0.00 0.00 54.97 53.70 2kbt s GLU 800 Cb 0.14 -1.98 -0.04 0.00 2.00 0.00 0.00 34.13 34.24 2kbt s GLU 800 CO 0.35 0.44 0.12 -1.17 -0.56 0.00 0.00 175.26 174.44 2kbt s LEU 801 N -2.34 4.24 -0.60 2.70 0.20 0.14 -4.13 118.68 118.88 2kbt s LEU 801 Ca 0.18 0.38 -0.28 0.00 0.69 0.00 0.00 54.13 55.11 2kbt s LEU 801 Cb -0.09 -2.03 0.02 0.00 -0.43 0.00 0.00 46.19 43.65 2kbt s LEU 801 CO 0.09 0.37 1.34 -0.55 -0.29 0.00 0.00 176.35 177.31 2kbt s SER 802 N -0.80 6.20 0.09 3.68 0.15 -1.26 -4.45 113.70 117.31 2kbt s SER 802 Ca 0.13 0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.89 2kbt s SER 802 Cb -0.12 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 2kbt s SER 802 CO 0.03 -1.69 0.20 -0.76 1.20 0.00 0.00 173.24 172.22 2kbt s LEU 803 N 5.76 4.24 -0.26 3.45 1.02 -1.26 -4.85 118.68 126.79 2kbt s LEU 803 Ca 0.47 0.19 -0.08 0.00 0.02 0.00 0.00 54.13 54.72 2kbt s LEU 803 Cb -0.09 -2.85 0.12 0.00 0.02 0.00 0.00 46.19 43.39 2kbt s LEU 803 CO 0.23 0.14 0.55 -0.75 0.02 0.00 0.00 176.35 176.54 2kbt s LYS 804 N -2.67 0.48 0.10 1.70 2.20 -1.26 -1.74 119.74 118.55 2kbt s LYS 804 Ca 0.34 1.23 -0.32 0.00 -0.36 0.00 0.00 55.97 56.85 2kbt s LYS 804 Cb -0.12 0.59 -0.18 0.00 -1.51 0.00 0.00 37.83 36.61 2kbt s LYS 804 CO 0.27 -0.28 0.75 0.39 -0.36 0.00 0.00 175.35 176.12 2kbt n GLU 805 N 5.42 0.00 -0.73 4.03 1.02 -1.25 -0.01 120.64 129.13 2kbt n GLU 805 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2kbt n GLU 805 Cb 0.49 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 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 1.69 0.75 3.77 0.62 0.00 -1.13 -4.97 105.19 105.92 2kbt n GLY 806 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.51 5.26 0.05 1.61 -0.00 0.99 -4.95 116.67 117.12 2kbt s ASP 807 Ca 0.00 -0.30 0.04 0.00 -0.00 0.00 0.00 52.55 52.29 2kbt s ASP 807 Cb 0.00 -1.27 -0.04 0.00 -0.00 0.00 0.00 42.92 41.61 2kbt s ASP 807 CO 0.00 0.01 -0.04 0.27 -0.00 0.00 0.00 175.17 175.42 2kbt s ILE 808 N -2.02 3.84 -0.22 0.77 -0.00 -1.26 0.02 121.20 122.32 2kbt s ILE 808 Ca 0.31 -0.88 0.01 0.00 -0.00 0.00 0.00 60.65 60.09 2kbt s ILE 808 Cb -0.08 -2.75 0.03 0.00 -0.00 0.00 0.00 42.46 39.66 2kbt s ILE 808 CO 0.23 0.26 -0.14 -0.63 -0.00 0.00 0.00 174.94 174.66 2kbt s ILE 809 N -1.15 2.32 -0.32 8.37 1.09 0.47 -4.81 121.20 127.16 2kbt s ILE 809 Ca 0.21 -1.15 -0.29 0.00 -1.10 0.00 0.00 60.65 58.32 2kbt s ILE 809 Cb -0.11 -2.14 -0.01 0.00 -1.06 0.00 0.00 42.46 39.13 2kbt s ILE 809 CO 0.13 0.29 1.55 -0.75 -0.10 0.00 0.00 174.94 176.06 2kbt s LYS 810 N 1.25 3.63 -0.08 2.79 2.47 -1.11 0.57 119.74 129.25 2kbt s LYS 810 Ca -0.00 1.31 -0.30 0.00 -1.56 0.00 0.00 55.97 55.42 2kbt s LYS 810 Cb -0.16 -4.05 -0.04 0.00 -1.46 0.00 0.00 37.83 32.12 2kbt s LYS 810 CO -0.08 -1.50 1.48 0.42 0.16 0.00 0.00 175.35 175.83 2kbt s ILE 811 N 5.58 3.83 -0.10 5.43 -1.09 -1.13 -2.77 121.20 130.95 2kbt s ILE 811 Ca 0.68 1.05 -0.04 0.00 -2.23 0.00 0.00 60.65 60.11 2kbt s ILE 811 Cb -0.19 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2kbt s ILE 811 CO 0.31 -0.07 -0.12 0.18 -1.23 0.00 0.00 174.94 174.01 2kbt n LEU 812 N 6.61 1.14 -4.31 2.97 4.77 0.44 -4.63 117.00 123.97 2kbt n LEU 812 Ca 0.15 0.08 -0.24 0.00 -0.03 0.00 0.00 56.01 55.98 2kbt n LEU 812 Cb 0.44 -0.29 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 2kbt n LEU 812 CO 0.60 0.29 -0.52 0.21 -1.33 0.00 0.00 177.39 176.64 2kbt s ASN 813 N -5.67 2.69 -0.54 -1.43 2.47 -0.45 -4.85 114.94 107.17 2kbt s ASN 813 Ca -0.13 -0.74 0.04 0.00 0.42 0.00 0.00 52.86 52.45 2kbt s ASN 813 Cb 0.05 -0.16 0.16 0.00 -1.45 0.00 0.00 41.25 39.85 2kbt s ASN 813 CO 0.18 0.06 0.38 -0.54 -3.72 0.00 0.00 177.10 173.45 2kbt s LYS 814 N -2.14 1.61 -0.58 0.43 1.02 -1.26 -1.73 119.74 117.08 2kbt s LYS 814 Ca 0.10 -2.59 -0.27 0.00 0.02 0.00 0.00 55.97 53.23 2kbt s LYS 814 Cb -0.09 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2kbt s LYS 814 CO 0.05 -1.30 1.68 0.15 -0.92 0.00 0.00 175.35 175.01 2kbt s LYS 815 N -0.49 2.93 0.28 1.68 -0.14 -1.25 -4.79 119.74 117.95 2kbt s LYS 815 Ca 0.27 0.56 0.00 0.00 -1.36 0.00 0.00 55.97 55.44 2kbt s LYS 815 Cb -0.05 -4.28 0.00 0.00 -1.68 0.00 0.00 37.83 31.82 2kbt s LYS 815 CO -0.15 -2.38 0.00 0.41 -0.76 0.00 0.00 175.35 172.47 2kbt n GLY 816 N 5.53 -1.54 0.39 -3.33 0.00 -1.26 -4.27 105.19 100.71 2kbt n GLY 816 Ca 0.17 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.31 1.45 -4.04 1.61 1.13 -1.26 -4.80 117.38 108.17 2kbt n GLN 817 Ca -0.02 -0.79 -0.17 0.00 -1.94 0.00 0.00 57.00 54.08 2kbt n GLN 817 Cb 0.62 -1.48 -0.16 0.00 0.11 0.00 0.00 30.24 29.33 2kbt n GLN 817 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2kbt s GLN 818 N -2.09 0.44 0.00 -1.09 -2.07 -1.26 -5.02 119.66 108.57 2kbt s GLN 818 Ca 0.36 -0.03 0.00 0.00 -1.82 0.00 0.00 55.36 53.87 2kbt s GLN 818 Cb 0.21 -0.52 0.00 0.00 -1.09 0.00 0.00 33.01 31.61 2kbt s GLN 818 CO 0.37 -0.06 0.00 0.41 -1.32 0.00 0.00 175.29 174.69 2kbt n GLY 819 N 3.78 1.13 3.30 2.60 0.00 -1.26 -5.02 105.19 109.72 2kbt n GLY 819 Ca -0.23 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 1.16 0.03 1.61 -2.14 -1.26 -4.03 118.94 114.30 2kbt s TRP 820 Ca 0.00 -1.34 0.04 0.00 2.66 0.00 0.00 56.10 57.46 2kbt s TRP 820 Cb 0.00 -0.45 -0.02 0.00 -3.10 0.00 0.00 33.47 29.91 2kbt s TRP 820 CO 0.00 -0.78 -0.12 -1.58 -2.66 0.00 0.00 176.95 171.81 2kbt s TRP 821 N -3.90 1.07 -0.06 1.66 0.51 0.87 -3.95 118.94 115.13 2kbt s TRP 821 Ca 0.36 -0.32 -0.19 0.00 -2.12 0.00 0.00 56.10 53.83 2kbt s TRP 821 Cb 0.04 -0.64 -0.05 0.00 -0.81 0.00 0.00 33.47 32.01 2kbt s TRP 821 CO 0.15 0.01 0.54 0.50 -0.51 0.00 0.00 176.95 177.64 2kbt s ARG 822 N -0.95 4.31 0.00 4.98 3.00 -0.70 -2.48 118.95 127.11 2kbt s ARG 822 Ca 0.01 0.60 0.00 0.00 -1.00 0.00 0.00 55.73 55.34 2kbt s ARG 822 Cb -0.07 -3.39 0.00 0.00 0.00 0.00 0.00 34.95 31.49 2kbt s ARG 822 CO 0.01 0.26 0.00 0.41 0.00 0.00 0.00 175.30 175.98 2kbt n GLY 823 N 2.84 4.00 3.53 8.12 0.00 -1.13 -0.42 105.19 122.12 2kbt n GLY 823 Ca -0.07 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 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 1.45 0.76 -0.13 1.61 2.12 -1.11 -2.93 118.70 120.46 2kbt s GLU 824 Ca 0.00 -0.15 -0.05 0.00 0.36 0.00 0.00 54.97 55.13 2kbt s GLU 824 Cb 0.00 0.35 0.06 0.00 0.26 0.00 0.00 34.13 34.80 2kbt s GLU 824 CO 0.00 -0.31 0.28 0.42 -0.54 0.00 0.00 175.26 175.11 2kbt s ILE 825 N -2.46 -0.27 -1.87 -3.70 1.01 0.45 -2.75 121.20 111.60 2kbt s ILE 825 Ca 0.02 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2kbt s ILE 825 Cb -0.01 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 42.02 2kbt s ILE 825 CO -0.05 0.09 0.00 -1.22 0.00 0.00 0.00 174.94 173.76 2kbt n TYR 826 N 4.89 0.00 -0.12 3.97 4.01 -1.26 -0.18 117.16 128.48 2kbt n TYR 826 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2kbt n TYR 826 Cb 0.51 -3.12 0.00 0.00 -0.31 0.00 0.00 39.34 36.42 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 -0.51 0.55 3.59 2.72 0.00 -1.26 -5.04 105.19 105.24 2kbt n GLY 827 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.84 3.79 0.39 1.61 3.00 0.75 -5.04 118.95 122.61 2kbt s ARG 828 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 55.73 55.94 2kbt s ARG 828 Cb 0.00 -3.78 -0.06 0.00 0.00 0.00 0.00 34.95 31.11 2kbt s ARG 828 CO 0.00 -0.76 0.73 0.42 0.00 0.00 0.00 175.30 175.69 2kbt s ILE 829 N 2.93 4.84 -1.71 1.52 -1.09 -1.26 -0.41 121.20 126.01 2kbt s ILE 829 Ca 0.29 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 2kbt s ILE 829 Cb -0.14 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 2kbt s ILE 829 CO 0.15 -0.50 0.00 0.61 -1.23 0.00 0.00 174.94 173.97 2kbt n GLY 830 N -1.28 -0.80 3.44 6.18 0.00 -1.15 -4.58 105.19 107.00 2kbt n GLY 830 Ca 0.01 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.00 1.90 -0.23 1.61 0.52 -1.16 -2.85 118.94 115.74 2kbt s TRP 831 Ca 0.00 -1.01 -0.31 0.00 0.02 0.00 0.00 56.10 54.80 2kbt s TRP 831 Cb 0.00 -1.23 0.16 0.00 -1.15 0.00 0.00 33.47 31.25 2kbt s TRP 831 CO 0.00 -0.06 1.22 -0.59 0.02 0.00 0.00 176.95 177.54 2kbt s PHE 832 N -3.34 -0.15 0.42 -1.98 -0.71 -1.03 0.25 117.98 111.43 2kbt s PHE 832 Ca 0.36 0.23 -0.23 0.00 -1.04 0.00 0.00 56.93 56.24 2kbt s PHE 832 Cb 0.08 0.49 -0.09 0.00 -1.21 0.00 0.00 43.02 42.29 2kbt s PHE 832 CO 0.15 -0.16 1.05 -1.25 -1.34 0.00 0.00 175.22 173.67 2kbt s PRO 833 N -1.36 4.08 0.00 1.99 0.04 -1.26 -0.09 135.00 138.39 2kbt s PRO 833 Ca 0.06 1.49 0.21 0.00 0.04 0.00 0.00 61.00 62.80 2kbt s PRO 833 Cb -0.01 -2.45 0.97 0.00 0.04 0.00 0.00 34.50 33.05 2kbt s PRO 833 CO -0.04 -0.21 1.66 -1.13 0.04 0.00 0.00 177.00 177.31 2kbt n SER 834 N -0.26 0.85 -0.57 6.66 3.41 -1.26 -2.93 113.62 119.52 2kbt n SER 834 Ca 0.06 -1.54 0.11 0.00 -0.26 0.00 0.00 58.87 57.24 2kbt n SER 834 Cb 0.50 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.24 2.19 -0.23 4.04 4.13 -1.26 -4.07 115.26 119.82 2kbt n ASN 835 Ca 0.16 -1.59 0.05 0.00 1.68 0.00 0.00 54.58 54.87 2kbt n ASN 835 Cb 0.20 0.38 -0.00 0.00 -1.54 0.00 0.00 39.78 38.82 2kbt n ASN 835 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2kbt n TYR 836 N 0.24 0.00 -4.39 3.10 4.02 -1.15 -5.01 117.16 113.97 2kbt n TYR 836 Ca 0.10 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.79 2kbt n TYR 836 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.70 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 -1.40 1.27 -0.12 -0.72 -7.23 -1.24 -0.62 120.40 110.34 2kbt s VAL 837 Ca 0.08 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2kbt s VAL 837 Cb 0.08 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 2kbt s VAL 837 CO 0.26 -0.24 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.12 2kbt s GLU 838 N -3.82 3.26 -0.03 4.82 2.02 0.14 -4.87 118.70 120.22 2kbt s GLU 838 Ca 0.31 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.71 2kbt s GLU 838 Cb 0.06 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 2kbt s GLU 838 CO 0.11 0.36 -0.05 -2.00 0.02 0.00 0.00 175.26 173.71 2kbt s GLU 839 N -0.01 2.70 -0.00 1.61 -6.30 -1.26 -1.50 118.70 113.93 2kbt s GLU 839 Ca -0.01 -0.62 0.00 0.00 -2.50 0.00 0.00 54.97 51.84 2kbt s GLU 839 Cb -0.14 -2.59 0.00 0.00 0.00 0.00 0.00 34.13 31.41 2kbt s GLU 839 CO 0.03 0.64 0.00 -3.47 0.02 0.00 0.00 175.26 172.48 2kbt n ASP 840 N 1.80 -0.99 -0.08 -1.70 -0.08 -1.26 -4.64 116.55 109.59 2kbt n ASP 840 Ca -0.16 0.49 0.25 0.00 -1.51 0.00 0.00 54.79 53.86 2kbt n ASP 840 Cb 0.53 -0.99 0.62 0.00 2.34 0.00 0.00 41.12 43.61 2kbt n ASP 840 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 2kbt h TYR 841 N 0.00 0.00 -2.29 -0.67 -0.00 -1.92 -3.41 116.97 108.68 2kbt h TYR 841 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.70 2kbt h TYR 841 Cb 0.99 0.00 -0.17 0.00 0.00 0.00 0.00 36.73 37.55 2kbt h TYR 841 CO 0.89 0.00 0.24 -1.54 -0.00 0.00 0.00 178.16 177.75 2kbt s SER 842 N -4.44 -0.59 0.09 0.10 1.04 -1.26 -5.16 113.70 103.49 2kbt s SER 842 Ca -0.04 0.43 -0.19 0.00 0.48 0.00 0.00 55.95 56.64 2kbt s SER 842 Cb 0.15 0.53 -0.07 0.00 0.10 0.00 0.00 66.02 66.74 2kbt s SER 842 CO 0.53 -0.70 0.58 -1.83 0.98 0.00 0.00 173.24 172.81 2kbt s GLU 843 N -2.08 4.19 -0.72 4.02 -1.05 -1.26 -5.00 118.70 116.81 2kbt s GLU 843 Ca -0.06 0.73 0.01 0.00 -0.15 0.00 0.00 54.97 55.50 2kbt s GLU 843 Cb -0.00 -3.18 0.37 0.00 -0.44 0.00 0.00 34.13 30.87 2kbt s GLU 843 CO 0.01 0.60 1.62 0.98 0.95 0.00 0.00 175.26 179.43 2kbt n TYR 844 N 1.54 3.19 -1.78 4.83 4.19 -1.26 -5.04 117.16 122.83 2kbt n TYR 844 Ca -0.09 -2.75 -0.33 0.00 3.31 0.00 0.00 57.90 58.05 2kbt n TYR 844 Cb 0.51 -0.78 0.04 0.00 0.49 0.00 0.00 39.34 39.60 2kbt n TYR 844 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2kbt s LEU 845 N -3.89 3.37 0.53 2.98 1.43 -1.26 -5.01 118.68 116.83 2kbt s LEU 845 Ca 0.49 1.89 -0.18 0.00 -1.03 0.00 0.00 54.13 55.30 2kbt s LEU 845 Cb 0.38 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.00 2kbt s LEU 845 CO -0.29 -1.51 1.04 -2.16 0.23 0.00 0.00 176.35 173.66 2kbt s PRO 846 N -4.25 3.61 0.50 1.29 0.04 -1.26 -5.03 135.00 129.89 2kbt s PRO 846 Ca 0.65 1.26 -0.18 0.00 0.04 0.00 0.00 61.00 62.77 2kbt s PRO 846 Cb -0.18 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 2kbt s PRO 846 CO 0.43 -0.58 0.99 -1.21 0.04 0.00 0.00 177.00 176.66 2kbt s GLU 847 N -3.65 3.94 0.00 4.56 0.41 -1.26 -5.30 118.70 117.41 2kbt s GLU 847 Ca 0.65 1.07 0.12 0.00 -0.41 0.00 0.00 54.97 56.40 2kbt s GLU 847 Cb -0.16 -2.13 0.70 0.00 -1.78 0.00 0.00 34.13 30.76 2kbt s GLU 847 CO 0.28 -0.28 1.13 0.25 -0.49 0.00 0.00 175.26 176.15