#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbt h PRO 781 N 0.00 0.17 0.00 1.61 0.13 -2.02 -3.49 132.00 128.40 2kbt h PRO 781 Ca 0.00 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2kbt h PRO 781 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 2kbt h PRO 781 CO 0.00 0.88 0.00 0.41 -0.23 0.00 0.00 178.00 179.06 2kbt n GLY 782 N 0.93 0.67 0.23 1.56 0.00 -1.26 -5.06 105.19 102.26 2kbt n GLY 782 Ca -0.09 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 2kbt n GLY 782 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kbt h THR 783 N 0.00 0.00 0.00 2.61 2.02 -1.90 -3.43 112.91 112.21 2kbt h THR 783 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2kbt h THR 783 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2kbt h THR 783 CO 0.00 0.00 -0.05 0.49 0.37 0.00 0.00 175.52 176.33 2kbt n PHE 784 N -4.07 0.00 0.00 3.16 3.72 -1.26 -5.13 117.46 113.87 2kbt n PHE 784 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2kbt n PHE 784 Cb 0.22 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 1.67 -1.09 3.50 1.37 0.00 -1.26 -5.05 105.19 104.33 2kbt n GLY 785 Ca -0.01 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 2kbt n GLY 785 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kbt s THR 786 N 0.00 0.00 -0.19 2.61 -4.23 -1.26 -2.79 115.64 109.78 2kbt s THR 786 Ca 0.00 -1.56 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2kbt s THR 786 Cb 0.00 -2.53 0.08 0.00 1.34 0.00 0.00 72.50 71.39 2kbt s THR 786 CO 0.00 0.00 0.18 0.00 -0.54 0.00 0.00 174.62 174.26 2kbt s ALA 787 N -3.35 -0.08 -0.27 3.99 0.00 0.20 -4.14 121.76 118.12 2kbt s ALA 787 Ca 0.29 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 2kbt s ALA 787 Cb -0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 2kbt s ALA 787 CO 0.17 -1.18 1.34 0.21 0.00 0.00 0.00 175.76 176.30 2kbt s LYS 788 N 2.27 3.94 0.25 0.00 2.20 -1.24 0.11 119.74 127.28 2kbt s LYS 788 Ca 0.05 1.37 -0.31 0.00 -0.36 0.00 0.00 55.97 56.73 2kbt s LYS 788 Cb -0.16 -3.89 -0.14 0.00 -1.51 0.00 0.00 37.83 32.14 2kbt s LYS 788 CO -0.11 -1.08 1.35 0.00 -0.36 0.00 0.00 175.35 175.14 2kbt n ALA 789 N 7.60 0.86 0.58 3.13 0.00 0.14 -1.66 120.51 131.15 2kbt n ALA 789 Ca 0.15 0.41 0.06 0.00 0.00 0.00 0.00 53.44 54.06 2kbt n ALA 789 Cb 0.46 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 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 1.75 2.09 -3.78 0.00 5.12 0.71 -3.08 116.66 119.48 2kbt n ARG 790 Ca 0.11 -0.56 -0.13 0.00 -1.93 0.00 0.00 57.85 55.34 2kbt n ARG 790 Cb 0.31 -1.16 -0.13 0.00 -1.16 0.00 0.00 32.46 30.32 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 -1.74 -0.21 -0.69 -1.55 1.51 -1.17 -4.89 117.35 108.60 2kbt s TYR 791 Ca 0.10 0.53 -0.26 0.00 -1.01 0.00 0.00 57.07 56.43 2kbt s TYR 791 Cb 0.10 0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.94 2kbt s TYR 791 CO 0.37 -0.14 1.96 0.16 -1.11 0.00 0.00 175.55 176.79 2kbt s ASP 792 N 0.58 5.10 0.82 2.29 -4.77 -1.26 -3.83 116.67 115.59 2kbt s ASP 792 Ca -0.04 0.10 -0.10 0.00 -3.30 0.00 0.00 52.55 49.21 2kbt s ASP 792 Cb -0.05 -2.54 0.13 0.00 -1.09 0.00 0.00 42.92 39.37 2kbt s ASP 792 CO -0.03 -2.60 1.15 0.12 0.70 0.00 0.00 175.17 174.51 2kbt s PHE 793 N 9.91 2.12 -0.25 2.11 5.36 -0.62 -4.92 117.98 131.69 2kbt s PHE 793 Ca 0.72 0.27 -0.02 0.00 -0.96 0.00 0.00 56.93 56.94 2kbt s PHE 793 Cb -0.11 -3.55 0.14 0.00 -0.34 0.00 0.00 43.02 39.16 2kbt s PHE 793 CO 0.14 -2.00 0.40 0.00 -1.46 0.00 0.00 175.22 172.31 2kbt s ALA 795 N 2.58 3.39 -0.15 0.00 0.00 -1.26 -4.92 121.76 121.40 2kbt s ALA 795 Ca 0.13 0.85 0.03 0.00 0.00 0.00 0.00 51.96 52.97 2kbt s ALA 795 Cb -0.15 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2kbt s ALA 795 CO -0.17 -0.19 0.15 2.89 0.00 0.00 0.00 175.76 178.44 2kbt n ARG 796 N 1.92 5.64 -4.08 0.00 -4.01 -1.26 -5.03 116.66 109.84 2kbt n ARG 796 Ca 0.01 -0.04 -0.10 0.00 -1.04 0.00 0.00 57.85 56.68 2kbt n ARG 796 Cb 0.46 -0.66 -0.08 0.00 -3.04 0.00 0.00 32.46 29.13 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 -1.21 0.14 0.00 2.89 3.68 -1.26 -5.02 116.67 115.89 2kbt s ASP 797 Ca 0.01 -1.10 0.20 0.00 2.13 0.00 0.00 52.55 53.80 2kbt s ASP 797 Cb 0.02 0.39 0.95 0.00 -1.45 0.00 0.00 42.92 42.83 2kbt s ASP 797 CO 0.11 -0.85 1.65 0.54 0.13 0.00 0.00 175.17 176.75 2kbt n ARG 798 N -0.20 0.14 -0.31 4.34 5.12 -1.26 -2.09 116.66 122.39 2kbt n ARG 798 Ca -0.04 0.12 0.07 0.00 -1.93 0.00 0.00 57.85 56.07 2kbt n ARG 798 Cb 0.64 -1.50 0.22 0.00 -1.16 0.00 0.00 32.46 30.65 2kbt n ARG 798 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2kbt n SER 799 N -1.40 2.82 -4.20 0.55 3.41 -1.26 -4.64 113.62 108.89 2kbt n SER 799 Ca 0.07 -2.14 -0.18 0.00 -0.26 0.00 0.00 58.87 56.36 2kbt n SER 799 Cb 0.20 -0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 63.66 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 -1.55 0.91 -0.14 4.33 2.56 -0.89 -3.60 118.70 120.32 2kbt s GLU 800 Ca 0.32 -1.07 -0.07 0.00 0.00 0.00 0.00 54.97 54.14 2kbt s GLU 800 Cb 0.18 -0.88 -0.04 0.00 2.00 0.00 0.00 34.13 35.39 2kbt s GLU 800 CO 0.18 0.18 0.13 -1.17 -0.56 0.00 0.00 175.26 174.02 2kbt s LEU 801 N -2.02 4.28 -0.59 2.70 0.20 0.96 -4.08 118.68 120.12 2kbt s LEU 801 Ca 0.03 0.38 -0.28 0.00 0.69 0.00 0.00 54.13 54.95 2kbt s LEU 801 Cb -0.08 -2.05 0.02 0.00 -0.43 0.00 0.00 46.19 43.65 2kbt s LEU 801 CO 0.03 0.35 1.31 -0.55 -0.29 0.00 0.00 176.35 177.20 2kbt s SER 802 N -0.68 6.25 0.07 3.68 0.15 -1.26 -4.47 113.70 117.44 2kbt s SER 802 Ca 0.13 0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.93 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 -1.64 0.14 -0.76 1.20 0.00 0.00 173.24 172.21 2kbt s LEU 803 N 5.61 4.06 -0.25 3.45 1.02 -1.26 -4.85 118.68 126.46 2kbt s LEU 803 Ca 0.47 0.12 -0.07 0.00 0.02 0.00 0.00 54.13 54.67 2kbt s LEU 803 Cb -0.09 -2.70 0.12 0.00 0.02 0.00 0.00 46.19 43.54 2kbt s LEU 803 CO 0.24 0.17 0.51 -0.75 0.02 0.00 0.00 176.35 176.54 2kbt s LYS 804 N -2.46 0.44 0.08 1.70 2.47 -1.26 -1.58 119.74 119.13 2kbt s LYS 804 Ca 0.32 1.11 -0.33 0.00 -1.56 0.00 0.00 55.97 55.51 2kbt s LYS 804 Cb -0.12 0.44 -0.18 0.00 -1.46 0.00 0.00 37.83 36.51 2kbt s LYS 804 CO 0.25 -0.33 0.79 0.39 0.16 0.00 0.00 175.35 176.61 2kbt n GLU 805 N 5.41 0.00 -0.55 4.03 1.02 -1.25 0.06 120.64 129.37 2kbt n GLU 805 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2kbt n GLU 805 Cb 0.50 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 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 1.65 0.79 3.88 0.62 0.00 -1.18 -4.96 105.19 105.99 2kbt n GLY 806 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.00 5.86 -0.06 1.61 1.11 0.11 -4.94 116.67 117.36 2kbt s ASP 807 Ca 0.00 -0.08 -0.00 0.00 0.18 0.00 0.00 52.55 52.65 2kbt s ASP 807 Cb 0.00 -1.61 -0.03 0.00 1.07 0.00 0.00 42.92 42.35 2kbt s ASP 807 CO 0.00 -0.01 -0.02 0.27 1.18 0.00 0.00 175.17 176.58 2kbt s ILE 808 N -1.96 4.06 -0.27 0.77 -0.00 -1.26 0.26 121.20 122.80 2kbt s ILE 808 Ca 0.33 -0.42 -0.04 0.00 -0.00 0.00 0.00 60.65 60.52 2kbt s ILE 808 Cb -0.09 -2.72 0.02 0.00 -0.00 0.00 0.00 42.46 39.67 2kbt s ILE 808 CO 0.26 0.54 -0.00 -0.63 -0.00 0.00 0.00 174.94 175.11 2kbt s ILE 809 N -0.91 3.36 -0.26 8.37 1.09 0.31 -4.79 121.20 128.36 2kbt s ILE 809 Ca 0.15 -0.85 -0.29 0.00 -1.10 0.00 0.00 60.65 58.56 2kbt s ILE 809 Cb -0.11 -2.71 -0.02 0.00 -1.06 0.00 0.00 42.46 38.57 2kbt s ILE 809 CO 0.04 0.17 1.53 -0.75 -0.10 0.00 0.00 174.94 175.83 2kbt s LYS 810 N 1.41 3.78 0.00 2.79 2.47 -1.01 0.62 119.74 129.81 2kbt s LYS 810 Ca 0.02 1.48 -0.30 0.00 -1.56 0.00 0.00 55.97 55.60 2kbt s LYS 810 Cb -0.17 -4.00 -0.04 0.00 -1.46 0.00 0.00 37.83 32.16 2kbt s LYS 810 CO -0.02 -1.31 1.12 0.42 0.16 0.00 0.00 175.35 175.73 2kbt s ILE 811 N 5.11 4.38 -0.01 5.43 -1.09 -1.12 -2.40 121.20 131.51 2kbt s ILE 811 Ca 0.67 1.71 -0.00 0.00 -2.23 0.00 0.00 60.65 60.80 2kbt s ILE 811 Cb -0.22 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.56 2kbt s ILE 811 CO 0.28 0.09 -0.01 0.18 -1.23 0.00 0.00 174.94 174.26 2kbt n LEU 812 N 4.29 2.62 -4.03 2.97 4.77 -0.28 -4.50 117.00 122.84 2kbt n LEU 812 Ca 0.09 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 2kbt n LEU 812 Cb 0.48 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 2kbt n LEU 812 CO 0.54 0.45 -0.39 0.20 -1.33 0.00 0.00 177.39 176.87 2kbt s ASN 813 N -4.22 0.62 -0.42 -1.43 -0.87 -0.85 -4.87 114.94 102.90 2kbt s ASN 813 Ca -0.01 -0.51 0.02 0.00 -1.57 0.00 0.00 52.86 50.78 2kbt s ASN 813 Cb 0.00 0.06 0.13 0.00 -0.02 0.00 0.00 41.25 41.42 2kbt s ASN 813 CO 0.02 -0.23 0.22 -0.54 -2.57 0.00 0.00 177.10 174.00 2kbt s LYS 814 N -1.48 1.25 0.14 -0.60 1.02 -1.26 -2.28 119.74 116.52 2kbt s LYS 814 Ca -0.12 -1.91 -0.33 0.00 0.02 0.00 0.00 55.97 53.63 2kbt s LYS 814 Cb -0.10 -2.35 -0.18 0.00 -0.52 0.00 0.00 37.83 34.69 2kbt s LYS 814 CO -0.00 -1.13 0.85 1.63 -0.92 0.00 0.00 175.35 175.77 2kbt n LYS 815 N 3.70 0.30 -0.31 1.68 4.76 -1.25 -4.68 118.16 122.35 2kbt n LYS 815 Ca 0.07 0.11 0.35 0.00 -2.87 0.00 0.00 58.31 55.97 2kbt n LYS 815 Cb 0.35 -1.38 0.63 0.00 -1.84 0.00 0.00 35.03 32.79 2kbt n LYS 815 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2kbt h GLY 816 N 2.16 0.00 -2.48 0.72 0.00 -1.99 -3.39 103.07 98.09 2kbt h GLY 816 Ca -0.39 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.47 2kbt h GLY 816 CO 0.62 0.00 -0.37 1.20 0.00 0.00 0.00 176.54 178.00 2kbt s GLN 817 N -4.65 2.78 0.00 4.80 -0.21 -1.26 -4.99 119.66 116.12 2kbt s GLN 817 Ca -0.04 -1.29 0.25 0.00 0.02 0.00 0.00 55.36 54.30 2kbt s GLN 817 Cb 0.19 -2.58 1.43 0.00 1.00 0.00 0.00 33.01 33.05 2kbt s GLN 817 CO 0.64 -0.07 1.92 1.04 -2.12 0.00 0.00 175.29 176.71 2kbt n GLN 818 N -1.58 1.05 0.00 2.91 6.02 -1.26 -4.45 117.38 120.07 2kbt n GLN 818 Ca 0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2kbt n GLN 818 Cb 0.60 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.47 2kbt n GLN 818 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kbt n GLY 819 N 0.90 -2.19 3.30 1.08 0.00 -1.26 -4.32 105.19 102.70 2kbt n GLY 819 Ca 0.18 0.47 -0.13 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.67 1.18 -0.02 1.61 -2.14 -1.26 -4.04 118.94 113.59 2kbt s TRP 820 Ca 0.00 -1.35 0.04 0.00 2.66 0.00 0.00 56.10 57.45 2kbt s TRP 820 Cb 0.00 -0.45 -0.01 0.00 -3.10 0.00 0.00 33.47 29.91 2kbt s TRP 820 CO 0.00 -0.78 -0.13 -1.58 -2.66 0.00 0.00 176.95 171.80 2kbt s TRP 821 N -3.88 1.20 -0.30 1.66 0.51 0.80 -3.89 118.94 115.03 2kbt s TRP 821 Ca 0.36 -0.26 -0.23 0.00 -2.12 0.00 0.00 56.10 53.85 2kbt s TRP 821 Cb 0.04 -0.79 -0.00 0.00 -0.81 0.00 0.00 33.47 31.91 2kbt s TRP 821 CO 0.16 -0.06 0.76 0.50 -0.51 0.00 0.00 176.95 177.80 2kbt s ARG 822 N -0.15 3.96 0.00 4.98 3.52 -0.96 -2.65 118.95 127.65 2kbt s ARG 822 Ca 0.02 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 2kbt s ARG 822 Cb -0.07 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 2kbt s ARG 822 CO 0.00 -0.65 0.00 0.41 -0.81 0.00 0.00 175.30 174.25 2kbt n GLY 823 N 4.23 4.38 3.37 8.12 0.00 -1.19 -1.12 105.19 122.97 2kbt n GLY 823 Ca 0.03 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.10 1.07 -0.12 1.61 2.12 -1.01 -2.66 118.70 118.61 2kbt s GLU 824 Ca 0.00 -0.40 -0.06 0.00 0.36 0.00 0.00 54.97 54.88 2kbt s GLU 824 Cb 0.00 0.48 0.06 0.00 0.26 0.00 0.00 34.13 34.93 2kbt s GLU 824 CO 0.00 -0.41 0.27 0.42 -0.54 0.00 0.00 175.26 175.01 2kbt s ILE 825 N -2.97 -0.18 -2.15 -3.70 1.01 0.29 -2.40 121.20 111.10 2kbt s ILE 825 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2kbt s ILE 825 Cb -0.00 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.03 2kbt s ILE 825 CO -0.06 0.08 0.00 -1.22 0.00 0.00 0.00 174.94 173.74 2kbt n TYR 826 N 4.65 -0.18 -0.47 3.97 4.01 -1.26 0.02 117.16 127.89 2kbt n TYR 826 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2kbt n TYR 826 Cb 0.52 -3.59 0.00 0.00 -0.31 0.00 0.00 39.34 35.96 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 0.76 3.53 2.72 0.00 -1.26 -5.04 105.19 105.39 2kbt n GLY 827 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.53 3.48 0.40 1.61 0.52 0.10 -5.07 118.95 119.47 2kbt s ARG 828 Ca 0.00 -0.62 -0.08 0.00 -0.52 0.00 0.00 55.73 54.50 2kbt s ARG 828 Cb 0.00 -3.82 -0.06 0.00 0.52 0.00 0.00 34.95 31.60 2kbt s ARG 828 CO 0.00 -0.47 0.74 0.42 0.02 0.00 0.00 175.30 176.01 2kbt s ILE 829 N 1.77 4.85 -1.72 1.52 -1.09 -1.26 -0.55 121.20 124.72 2kbt s ILE 829 Ca 0.07 0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 2kbt s ILE 829 Cb -0.17 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2kbt s ILE 829 CO 0.11 -0.56 0.00 0.61 -1.23 0.00 0.00 174.94 173.87 2kbt n GLY 830 N -1.45 -0.96 3.23 6.18 0.00 -1.09 -4.59 105.19 106.51 2kbt n GLY 830 Ca 0.01 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 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 1.45 0.02 1.61 0.52 -1.24 -3.17 118.94 115.13 2kbt s TRP 831 Ca 0.00 -0.48 -0.23 0.00 0.02 0.00 0.00 56.10 55.41 2kbt s TRP 831 Cb 0.00 -0.78 0.05 0.00 -1.15 0.00 0.00 33.47 31.59 2kbt s TRP 831 CO 0.00 0.14 0.53 -0.59 0.02 0.00 0.00 176.95 177.05 2kbt s PHE 832 N -1.57 -0.45 0.45 -1.98 -0.71 -1.08 -0.03 117.98 112.60 2kbt s PHE 832 Ca 0.05 0.58 -0.22 0.00 -1.04 0.00 0.00 56.93 56.30 2kbt s PHE 832 Cb -0.08 0.34 -0.09 0.00 -1.21 0.00 0.00 43.02 41.98 2kbt s PHE 832 CO 0.03 -0.62 1.04 -1.25 -1.34 0.00 0.00 175.22 173.09 2kbt s PRO 833 N -2.11 3.96 0.00 1.99 0.04 -1.26 -0.14 135.00 137.48 2kbt s PRO 833 Ca -0.07 1.43 0.21 0.00 0.04 0.00 0.00 61.00 62.61 2kbt s PRO 833 Cb -0.01 -2.29 0.81 0.00 0.04 0.00 0.00 34.50 33.05 2kbt s PRO 833 CO 0.01 -0.30 1.58 -1.13 0.04 0.00 0.00 177.00 177.20 2kbt n SER 834 N -0.57 1.48 0.00 6.66 3.41 -1.26 -3.28 113.62 120.07 2kbt n SER 834 Ca 0.07 -1.66 0.11 0.00 -0.26 0.00 0.00 58.87 57.13 2kbt n SER 834 Cb 0.51 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.20 0.73 -0.33 4.04 3.02 -1.26 -4.04 115.26 117.62 2kbt n ASN 835 Ca 0.16 -0.62 0.06 0.00 -0.03 0.00 0.00 54.58 54.15 2kbt n ASN 835 Cb 0.30 0.98 0.01 0.00 -0.61 0.00 0.00 39.78 40.47 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 -1.69 0.00 -4.60 3.10 4.02 -1.20 -5.00 117.16 111.78 2kbt n TYR 836 Ca 0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.64 2kbt n TYR 836 Cb 0.38 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.60 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 -1.36 1.70 0.53 -0.72 -7.23 -1.23 -0.21 120.40 111.90 2kbt s VAL 837 Ca 0.11 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 2kbt s VAL 837 Cb 0.10 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 34.22 2kbt s VAL 837 CO 0.25 0.00 0.23 -1.61 -0.31 0.00 0.00 175.10 173.66 2kbt s GLU 838 N -3.76 2.23 -0.24 4.82 2.02 -0.67 -4.83 118.70 118.27 2kbt s GLU 838 Ca 0.31 -2.20 -0.23 0.00 0.02 0.00 0.00 54.97 52.87 2kbt s GLU 838 Cb 0.08 -1.84 0.06 0.00 0.10 0.00 0.00 34.13 32.54 2kbt s GLU 838 CO 0.16 -0.52 0.66 -1.21 0.02 0.00 0.00 175.26 174.37 2kbt s GLU 839 N -4.11 0.78 -0.04 1.61 2.02 -1.26 -3.69 118.70 114.01 2kbt s GLU 839 Ca 0.21 0.90 0.00 0.00 0.02 0.00 0.00 54.97 56.09 2kbt s GLU 839 Cb -0.01 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.60 2kbt s GLU 839 CO 0.13 -0.10 0.00 -3.47 0.02 0.00 0.00 175.26 171.84 2kbt n ASP 840 N 2.67 -1.11 -0.31 -0.19 2.03 -1.26 -4.72 116.55 113.66 2kbt n ASP 840 Ca -0.14 0.48 -0.05 0.00 0.52 0.00 0.00 54.79 55.60 2kbt n ASP 840 Cb 0.55 -1.09 0.07 0.00 -0.72 0.00 0.00 41.12 39.94 2kbt n ASP 840 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2kbt h TYR 841 N 0.00 1.23 -4.05 -0.67 -0.00 -1.90 -3.45 116.97 108.13 2kbt h TYR 841 Ca -0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 58.73 58.51 2kbt h TYR 841 Cb 1.00 -0.38 -0.12 0.00 0.00 0.00 0.00 36.73 37.24 2kbt h TYR 841 CO 0.89 0.90 -0.34 -1.54 -0.00 0.00 0.00 178.16 178.07 2kbt s SER 842 N -6.32 0.02 0.19 0.10 1.04 -1.26 -5.18 113.70 102.28 2kbt s SER 842 Ca -0.12 -1.12 0.02 0.00 0.48 0.00 0.00 55.95 55.21 2kbt s SER 842 Cb 0.16 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 2kbt s SER 842 CO 0.84 -1.00 0.07 -1.84 0.98 0.00 0.00 173.24 172.28 2kbt n GLU 843 N -0.33 0.78 -1.96 4.02 0.28 -1.26 -5.06 120.64 117.12 2kbt n GLU 843 Ca -0.00 -1.60 -0.38 0.00 -0.16 0.00 0.00 57.16 55.01 2kbt n GLU 843 Cb 0.64 0.87 0.04 0.00 1.43 0.00 0.00 31.44 34.41 2kbt n GLU 843 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 2kbt n TYR 844 N -0.43 3.04 -0.94 -1.84 9.36 -1.26 -5.03 117.16 120.07 2kbt n TYR 844 Ca -0.03 -2.45 -0.34 0.00 3.32 0.00 0.00 57.90 58.40 2kbt n TYR 844 Cb 0.28 -1.07 0.09 0.00 -0.63 0.00 0.00 39.34 38.02 2kbt n TYR 844 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2kbt n LEU 845 N -0.55 -0.96 0.00 2.98 4.77 -1.26 -4.99 117.00 116.99 2kbt n LEU 845 Ca 0.53 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.88 2kbt n LEU 845 Cb 0.31 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 2kbt n LEU 845 CO 0.50 -3.92 0.00 -0.81 -1.33 0.00 0.00 177.39 171.83 2kbt n PRO 846 N -0.78 0.13 -2.67 3.23 -0.04 -1.26 -4.93 135.00 128.68 2kbt n PRO 846 Ca 0.06 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.10 2kbt n PRO 846 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 2kbt n PRO 846 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2kbt s GLU 847 N -1.74 3.27 0.00 0.54 8.01 -1.26 -5.25 118.70 122.27 2kbt s GLU 847 Ca 0.00 -0.68 0.23 0.00 0.01 0.00 0.00 54.97 54.53 2kbt s GLU 847 Cb 0.00 -4.46 1.38 0.00 -4.31 0.00 0.00 34.13 26.75 2kbt s GLU 847 CO 0.00 -2.03 1.75 0.25 0.01 0.00 0.00 175.26 175.24