#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 3.73 0.29 1.61 0.04 -1.26 -5.06 135.00 134.35 2kbt s PRO 781 Ca 0.00 1.33 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 2kbt s PRO 781 Cb 0.00 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.46 2kbt s PRO 781 CO 0.00 -0.49 0.41 0.41 0.04 0.00 0.00 177.00 177.38 2kbt n GLY 782 N -0.40 2.22 1.12 0.56 0.00 -1.26 -5.12 105.19 102.31 2kbt n GLY 782 Ca 0.09 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.46 0.15 -1.72 2.61 -1.04 -1.26 -5.09 114.28 107.47 2kbt n THR 783 Ca -0.00 0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.77 2kbt n THR 783 Cb 0.47 -0.97 0.11 0.00 -1.82 0.00 0.00 70.33 68.13 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 -1.14 2.72 0.00 -1.42 0.08 -1.26 -5.08 117.98 111.88 2kbt s PHE 784 Ca 0.00 0.80 0.00 0.00 0.12 0.00 0.00 56.93 57.85 2kbt s PHE 784 Cb 0.00 -3.45 0.00 0.00 -0.57 0.00 0.00 43.02 39.00 2kbt s PHE 784 CO 0.00 -2.08 0.00 0.41 -0.10 0.00 0.00 175.22 173.45 2kbt n GLY 785 N -2.77 2.50 3.37 4.36 0.00 -1.26 -4.99 105.19 106.39 2kbt n GLY 785 Ca 0.07 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 2.49 0.56 -0.23 2.61 -4.23 -1.26 -2.38 115.64 113.20 2kbt s THR 786 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 2kbt s THR 786 Cb 0.00 -2.58 0.07 0.00 1.34 0.00 0.00 72.50 71.34 2kbt s THR 786 CO 0.00 0.00 0.06 0.00 -0.54 0.00 0.00 174.62 174.14 2kbt s ALA 787 N -3.57 1.07 -0.04 3.99 0.00 0.34 -4.04 121.76 119.52 2kbt s ALA 787 Ca 0.35 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 2kbt s ALA 787 Cb 0.06 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 2kbt s ALA 787 CO 0.15 -1.35 1.55 0.21 0.00 0.00 0.00 175.76 176.33 2kbt s LYS 788 N 1.84 4.21 0.05 0.00 2.20 -1.23 0.88 119.74 127.69 2kbt s LYS 788 Ca 0.03 2.09 -0.31 0.00 -0.36 0.00 0.00 55.97 57.43 2kbt s LYS 788 Cb -0.17 -3.81 -0.06 0.00 -1.51 0.00 0.00 37.83 32.28 2kbt s LYS 788 CO -0.15 -0.75 1.30 0.00 -0.36 0.00 0.00 175.35 175.38 2kbt s ALA 789 N 3.40 3.50 -1.99 3.13 0.00 0.10 0.18 121.76 130.09 2kbt s ALA 789 Ca 0.69 0.91 0.23 0.00 0.00 0.00 0.00 51.96 53.79 2kbt s ALA 789 Cb -0.32 -3.51 0.17 0.00 0.00 0.00 0.00 23.12 19.45 2kbt s ALA 789 CO 0.27 -0.63 1.20 0.54 0.00 0.00 0.00 175.76 177.14 2kbt n ARG 790 N 4.39 1.14 -3.67 0.00 5.12 0.56 -2.79 116.66 121.42 2kbt n ARG 790 Ca 0.11 -0.90 -0.09 0.00 -1.93 0.00 0.00 57.85 55.04 2kbt n ARG 790 Cb 0.45 -1.48 -0.09 0.00 -1.16 0.00 0.00 32.46 30.17 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 -2.48 -0.79 0.04 -1.55 2.02 -1.21 -4.89 117.35 108.50 2kbt s TYR 791 Ca 0.20 1.62 -0.30 0.00 -0.37 0.00 0.00 57.07 58.21 2kbt s TYR 791 Cb 0.18 0.41 -0.08 0.00 -0.40 0.00 0.00 41.96 42.07 2kbt s TYR 791 CO 0.56 -0.42 1.72 0.16 -1.57 0.00 0.00 175.55 176.00 2kbt s ASP 792 N 1.61 6.57 -0.28 2.29 -4.77 -1.26 -4.49 116.67 116.34 2kbt s ASP 792 Ca -0.09 2.49 -0.05 0.00 -3.30 0.00 0.00 52.55 51.61 2kbt s ASP 792 Cb -0.08 -2.55 0.02 0.00 -1.09 0.00 0.00 42.92 39.22 2kbt s ASP 792 CO -0.15 -0.93 0.03 0.12 0.70 0.00 0.00 175.17 174.93 2kbt s PHE 793 N 3.23 3.14 -0.11 2.11 5.36 -1.11 -4.92 117.98 125.68 2kbt s PHE 793 Ca 0.77 -1.30 -0.29 0.00 -0.96 0.00 0.00 56.93 55.15 2kbt s PHE 793 Cb -0.40 -2.18 -0.01 0.00 -0.34 0.00 0.00 43.02 40.10 2kbt s PHE 793 CO 0.34 -0.66 1.01 0.00 -1.46 0.00 0.00 175.22 174.44 2kbt s ALA 795 N 2.06 3.52 -0.16 0.00 0.00 -1.26 -4.95 121.76 120.97 2kbt s ALA 795 Ca 0.48 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.67 2kbt s ALA 795 Cb -0.18 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 2kbt s ALA 795 CO 0.17 0.35 0.14 2.89 0.00 0.00 0.00 175.76 179.31 2kbt n ARG 796 N 1.63 5.86 -3.81 0.00 -4.01 -1.26 -5.05 116.66 110.02 2kbt n ARG 796 Ca -0.08 -0.01 -0.09 0.00 -1.04 0.00 0.00 57.85 56.63 2kbt n ARG 796 Cb 0.50 -0.66 -0.04 0.00 -3.04 0.00 0.00 32.46 29.22 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 -1.30 -0.21 0.19 2.89 -1.08 -1.26 -5.01 116.67 110.90 2kbt s ASP 797 Ca 0.01 -0.60 0.18 0.00 -0.52 0.00 0.00 52.55 51.62 2kbt s ASP 797 Cb 0.02 0.59 0.83 0.00 -1.46 0.00 0.00 42.92 42.90 2kbt s ASP 797 CO 0.13 -1.09 1.55 -2.11 0.52 0.00 0.00 175.17 174.17 2kbt n ARG 798 N -0.35 0.12 -0.06 4.34 1.85 -1.26 -0.96 116.66 120.34 2kbt n ARG 798 Ca -0.08 0.47 0.05 0.00 -1.00 0.00 0.00 57.85 57.30 2kbt n ARG 798 Cb 0.62 -1.78 0.22 0.00 -1.05 0.00 0.00 32.46 30.47 2kbt n ARG 798 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2kbt n SER 799 N -2.01 0.72 -4.25 2.89 3.41 -1.26 -4.62 113.62 108.50 2kbt n SER 799 Ca 0.01 -1.82 -0.20 0.00 -0.26 0.00 0.00 58.87 56.60 2kbt n SER 799 Cb 0.12 -0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.85 1.04 -0.12 4.33 2.12 -0.13 -3.88 118.70 120.21 2kbt s GLU 800 Ca 0.17 -1.20 -0.03 0.00 0.36 0.00 0.00 54.97 54.27 2kbt s GLU 800 Cb 0.09 -1.06 -0.03 0.00 0.26 0.00 0.00 34.13 33.39 2kbt s GLU 800 CO 0.13 0.22 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.89 2kbt s LEU 801 N -2.24 3.48 -0.58 2.70 0.20 0.35 -3.93 118.68 118.65 2kbt s LEU 801 Ca 0.07 0.03 -0.28 0.00 0.69 0.00 0.00 54.13 54.65 2kbt s LEU 801 Cb -0.07 -1.82 0.03 0.00 -0.43 0.00 0.00 46.19 43.90 2kbt s LEU 801 CO 0.04 0.28 1.25 -0.55 -0.29 0.00 0.00 176.35 177.08 2kbt s SER 802 N -0.27 6.36 0.32 3.68 0.15 -1.26 -4.56 113.70 118.11 2kbt s SER 802 Ca 0.06 0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.88 2kbt s SER 802 Cb -0.12 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 2kbt s SER 802 CO 0.02 -1.55 0.48 -0.76 1.20 0.00 0.00 173.24 172.63 2kbt s LEU 803 N 5.27 4.06 -0.29 3.45 1.02 -0.71 -4.90 118.68 126.58 2kbt s LEU 803 Ca 0.45 0.14 -0.02 0.00 0.02 0.00 0.00 54.13 54.73 2kbt s LEU 803 Cb -0.08 -3.00 0.17 0.00 0.02 0.00 0.00 46.19 43.30 2kbt s LEU 803 CO 0.25 -0.30 0.55 -0.75 0.02 0.00 0.00 176.35 176.12 2kbt s LYS 804 N -4.20 0.52 0.07 1.70 2.36 -1.26 -2.75 119.74 116.18 2kbt s LYS 804 Ca 0.40 0.94 -0.33 0.00 -2.55 0.00 0.00 55.97 54.43 2kbt s LYS 804 Cb -0.09 0.36 -0.18 0.00 -1.05 0.00 0.00 37.83 36.87 2kbt s LYS 804 CO 0.33 -0.60 0.81 0.39 1.55 0.00 0.00 175.35 177.83 2kbt n GLU 805 N 5.42 0.00 -0.36 4.03 1.02 -1.26 0.06 120.64 129.55 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 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 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 1.59 0.90 3.99 0.62 0.00 -1.12 -4.98 105.19 106.18 2kbt n GLY 806 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.99 5.92 -0.01 1.61 1.11 0.11 -4.95 116.67 117.47 2kbt s ASP 807 Ca 0.00 -0.22 0.06 0.00 0.18 0.00 0.00 52.55 52.58 2kbt s ASP 807 Cb 0.00 -1.18 -0.02 0.00 1.07 0.00 0.00 42.92 42.79 2kbt s ASP 807 CO 0.00 -0.45 -0.20 0.27 1.18 0.00 0.00 175.17 175.96 2kbt s ILE 808 N -2.19 2.55 -0.31 0.77 -0.00 -1.26 -0.72 121.20 120.04 2kbt s ILE 808 Ca 0.46 -1.01 -0.08 0.00 -0.00 0.00 0.00 60.65 60.01 2kbt s ILE 808 Cb -0.09 -1.97 0.00 0.00 -0.00 0.00 0.00 42.46 40.40 2kbt s ILE 808 CO 0.31 0.52 0.12 -0.63 -0.00 0.00 0.00 174.94 175.27 2kbt s ILE 809 N -0.73 4.28 -0.29 8.37 1.09 0.25 -4.79 121.20 129.40 2kbt s ILE 809 Ca 0.11 -0.61 -0.29 0.00 -1.10 0.00 0.00 60.65 58.77 2kbt s ILE 809 Cb -0.10 -3.22 -0.00 0.00 -1.06 0.00 0.00 42.46 38.07 2kbt s ILE 809 CO 0.01 0.04 1.34 -0.75 -0.10 0.00 0.00 174.94 175.48 2kbt s LYS 810 N 1.55 3.91 0.27 2.79 2.47 -1.00 0.13 119.74 129.86 2kbt s LYS 810 Ca 0.03 1.31 -0.29 0.00 -1.56 0.00 0.00 55.97 55.46 2kbt s LYS 810 Cb -0.17 -3.90 -0.09 0.00 -1.46 0.00 0.00 37.83 32.21 2kbt s LYS 810 CO 0.04 -1.13 1.17 0.42 0.16 0.00 0.00 175.35 176.01 2kbt s ILE 811 N 4.46 3.32 0.12 5.43 -1.09 -1.00 -1.82 121.20 130.63 2kbt s ILE 811 Ca 0.58 1.29 0.00 0.00 -2.23 0.00 0.00 60.65 60.29 2kbt s ILE 811 Cb -0.18 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2kbt s ILE 811 CO 0.24 0.29 0.00 0.18 -1.23 0.00 0.00 174.94 174.41 2kbt n LEU 812 N 1.36 0.17 0.00 2.97 4.77 -1.12 -4.85 117.00 120.29 2kbt n LEU 812 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2kbt n LEU 812 Cb 0.44 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2kbt n LEU 812 CO 0.55 -0.57 0.00 -3.20 -1.33 0.00 0.00 177.39 172.84 2kbt n ASN 813 N -3.14 0.00 -2.39 -1.43 2.85 -0.67 -5.03 115.26 105.45 2kbt n ASN 813 Ca 0.00 0.14 -0.03 0.00 -0.11 0.00 0.00 54.58 54.58 2kbt n ASN 813 Cb 0.08 -0.17 0.02 0.00 1.24 0.00 0.00 39.78 40.95 2kbt n ASN 813 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2kbt n LYS 814 N -1.17 -0.93 0.22 1.20 0.00 -1.26 -4.84 118.16 111.38 2kbt n LYS 814 Ca 0.00 0.81 0.17 0.00 0.00 0.00 0.00 58.31 59.28 2kbt n LYS 814 Cb 0.00 -3.84 0.72 0.00 0.00 0.00 0.00 35.03 31.90 2kbt n LYS 814 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2kbt h LYS 815 N -0.10 0.00 0.00 1.64 1.57 -1.97 -3.44 116.57 114.27 2kbt h LYS 815 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2kbt h LYS 815 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2kbt h LYS 815 CO 0.19 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.48 2kbt n GLY 816 N -1.36 2.05 3.23 3.86 0.00 -1.26 -4.99 105.19 106.72 2kbt n GLY 816 Ca 0.03 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2kbt n GLY 816 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kbt n GLN 817 N 0.00 0.06 -0.99 1.61 7.27 -1.26 -4.69 117.38 119.38 2kbt n GLN 817 Ca 0.00 0.03 -0.24 0.00 0.07 0.00 0.00 57.00 56.86 2kbt n GLN 817 Cb 0.00 -1.25 -0.06 0.00 2.41 0.00 0.00 30.24 31.34 2kbt n GLN 817 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2kbt n GLN 818 N 1.12 2.56 0.00 3.69 1.13 -1.26 -4.33 117.38 120.29 2kbt n GLN 818 Ca 0.05 -1.52 0.00 0.00 -1.94 0.00 0.00 57.00 53.59 2kbt n GLN 818 Cb 0.51 -2.40 0.00 0.00 0.11 0.00 0.00 30.24 28.46 2kbt n GLN 818 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kbt n GLY 819 N 3.29 0.71 3.30 1.08 0.00 -1.26 -5.05 105.19 107.25 2kbt n GLY 819 Ca 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 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 0.25 1.17 -0.02 1.61 -2.14 -1.26 -3.98 118.94 114.57 2kbt s TRP 820 Ca 0.00 -1.34 0.05 0.00 2.66 0.00 0.00 56.10 57.47 2kbt s TRP 820 Cb 0.00 -0.44 -0.01 0.00 -3.10 0.00 0.00 33.47 29.92 2kbt s TRP 820 CO 0.00 -0.79 -0.17 -1.58 -2.66 0.00 0.00 176.95 171.75 2kbt s TRP 821 N -3.88 1.56 -0.74 1.66 0.51 0.77 -4.39 118.94 114.43 2kbt s TRP 821 Ca 0.36 -0.33 -0.16 0.00 -2.12 0.00 0.00 56.10 53.86 2kbt s TRP 821 Cb 0.04 -1.02 0.17 0.00 -0.81 0.00 0.00 33.47 31.86 2kbt s TRP 821 CO 0.16 -0.06 0.74 0.50 -0.51 0.00 0.00 176.95 177.78 2kbt s ARG 822 N -0.30 3.39 0.00 4.98 3.52 -1.26 -2.29 118.95 126.99 2kbt s ARG 822 Ca 0.04 -2.06 0.00 0.00 -0.13 0.00 0.00 55.73 53.58 2kbt s ARG 822 Cb -0.08 -4.44 0.00 0.00 -1.56 0.00 0.00 34.95 28.88 2kbt s ARG 822 CO -0.00 -1.39 0.00 0.41 -0.81 0.00 0.00 175.30 173.51 2kbt n GLY 823 N 4.61 6.05 3.51 8.12 0.00 -1.20 -1.67 105.19 124.62 2kbt n GLY 823 Ca 0.06 -1.97 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 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 1.68 1.07 -0.02 1.61 -6.30 -0.75 -3.06 118.70 112.92 2kbt s GLU 824 Ca 0.00 0.20 -0.00 0.00 -2.50 0.00 0.00 54.97 52.67 2kbt s GLU 824 Cb 0.00 0.50 0.03 0.00 0.00 0.00 0.00 34.13 34.66 2kbt s GLU 824 CO 0.00 -0.35 0.03 0.42 0.02 0.00 0.00 175.26 175.39 2kbt s ILE 825 N -1.39 -0.07 -1.96 -3.70 1.01 0.38 -2.36 121.20 113.11 2kbt s ILE 825 Ca -0.10 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2kbt s ILE 825 Cb -0.00 -0.09 0.00 0.00 0.01 0.00 0.00 42.46 42.38 2kbt s ILE 825 CO 0.08 0.10 0.00 -1.22 0.00 0.00 0.00 174.94 173.90 2kbt n TYR 826 N 4.32 -0.37 -0.61 3.97 4.01 -1.26 0.19 117.16 127.41 2kbt n TYR 826 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 2kbt n TYR 826 Cb 0.50 -3.47 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 -0.55 0.67 3.45 2.72 0.00 -1.26 -5.04 105.19 105.19 2kbt n GLY 827 Ca -0.21 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.63 3.46 0.43 1.61 0.52 0.13 -5.09 118.95 119.39 2kbt s ARG 828 Ca 0.00 -0.63 -0.07 0.00 -0.52 0.00 0.00 55.73 54.51 2kbt s ARG 828 Cb 0.00 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.91 2kbt s ARG 828 CO 0.00 -0.34 0.76 0.42 0.02 0.00 0.00 175.30 176.16 2kbt s ILE 829 N 1.63 4.87 -2.67 1.52 -1.09 -1.26 -0.47 121.20 123.72 2kbt s ILE 829 Ca 0.05 0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 2kbt s ILE 829 Cb -0.16 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 2kbt s ILE 829 CO 0.06 -0.66 0.00 0.61 -1.23 0.00 0.00 174.94 173.72 2kbt n GLY 830 N -1.74 -1.87 3.51 6.18 0.00 -1.17 -4.75 105.19 105.35 2kbt n GLY 830 Ca 0.01 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.28 2.65 -0.00 1.61 0.52 -1.25 -3.26 118.94 116.93 2kbt s TRP 831 Ca 0.00 -0.20 -0.18 0.00 0.02 0.00 0.00 56.10 55.74 2kbt s TRP 831 Cb 0.00 -1.47 0.03 0.00 -1.15 0.00 0.00 33.47 30.89 2kbt s TRP 831 CO 0.00 0.33 0.40 -0.59 0.02 0.00 0.00 176.95 177.11 2kbt s PHE 832 N -1.03 -0.28 0.43 -1.98 -0.71 -0.97 0.13 117.98 113.57 2kbt s PHE 832 Ca 0.17 0.39 -0.23 0.00 -1.04 0.00 0.00 56.93 56.23 2kbt s PHE 832 Cb -0.11 0.18 -0.09 0.00 -1.21 0.00 0.00 43.02 41.79 2kbt s PHE 832 CO 0.08 -0.47 1.05 -1.25 -1.34 0.00 0.00 175.22 173.29 2kbt s PRO 833 N -1.62 4.02 0.00 1.99 0.04 -1.26 -0.16 135.00 138.00 2kbt s PRO 833 Ca -0.11 1.46 0.28 0.00 0.04 0.00 0.00 61.00 62.67 2kbt s PRO 833 Cb -0.03 -2.37 0.99 0.00 0.04 0.00 0.00 34.50 33.12 2kbt s PRO 833 CO 0.03 -0.26 1.71 -1.13 0.04 0.00 0.00 177.00 177.40 2kbt n SER 834 N -0.41 0.70 -0.74 6.66 3.41 -1.26 -3.18 113.62 118.80 2kbt n SER 834 Ca 0.07 -0.66 0.12 0.00 -0.26 0.00 0.00 58.87 58.14 2kbt n SER 834 Cb 0.51 0.02 0.32 0.00 -0.26 0.00 0.00 64.21 64.80 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 -0.86 2.27 -0.01 4.04 4.13 -1.26 -3.79 115.26 119.77 2kbt n ASN 835 Ca 0.13 -1.77 0.01 0.00 1.68 0.00 0.00 54.58 54.63 2kbt n ASN 835 Cb 0.31 -0.06 -0.00 0.00 -1.54 0.00 0.00 39.78 38.48 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 0.75 0.00 -4.51 3.10 4.02 -1.19 -5.04 117.16 114.29 2kbt n TYR 836 Ca 0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.77 2kbt n TYR 836 Cb 0.46 0.00 -0.08 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 -0.92 1.63 0.54 -0.72 -7.23 -1.23 -0.32 120.40 112.15 2kbt s VAL 837 Ca 0.01 -1.88 0.06 0.00 -1.81 0.00 0.00 61.98 58.35 2kbt s VAL 837 Cb 0.01 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.47 2kbt s VAL 837 CO 0.05 0.00 0.40 -1.61 -0.31 0.00 0.00 175.10 173.63 2kbt s GLU 838 N -3.89 2.26 -0.17 4.82 2.02 0.49 -4.80 118.70 119.43 2kbt s GLU 838 Ca 0.23 -2.00 -0.09 0.00 0.02 0.00 0.00 54.97 53.13 2kbt s GLU 838 Cb 0.04 -2.11 0.06 0.00 0.10 0.00 0.00 34.13 32.22 2kbt s GLU 838 CO 0.12 -0.60 0.41 -1.21 0.02 0.00 0.00 175.26 174.01 2kbt s GLU 839 N -4.27 0.38 -0.20 1.61 8.01 -1.26 -3.51 118.70 119.45 2kbt s GLU 839 Ca 0.35 0.83 0.00 0.00 0.01 0.00 0.00 54.97 56.15 2kbt s GLU 839 Cb -0.02 0.03 0.00 0.00 -4.31 0.00 0.00 34.13 29.83 2kbt s GLU 839 CO 0.21 -0.17 0.00 -3.47 0.01 0.00 0.00 175.26 171.84 2kbt n ASP 840 N 4.45 -1.42 -0.38 -0.19 -0.08 -1.26 -4.69 116.55 112.99 2kbt n ASP 840 Ca -0.21 0.39 0.29 0.00 -1.51 0.00 0.00 54.79 53.76 2kbt n ASP 840 Cb 0.54 -1.37 0.56 0.00 2.34 0.00 0.00 41.12 43.19 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 0.68 -3.07 -0.67 -0.00 -1.89 -3.41 116.97 108.62 2kbt h TYR 841 Ca -0.05 0.03 -0.10 0.00 0.00 0.00 0.00 58.73 58.60 2kbt h TYR 841 Cb 0.92 -0.18 -0.18 0.00 0.00 0.00 0.00 36.73 37.29 2kbt h TYR 841 CO 0.76 -0.13 -0.22 -1.54 -0.00 0.00 0.00 178.16 177.04 2kbt s SER 842 N -4.83 -0.21 -0.31 0.10 1.04 -1.26 -5.14 113.70 103.10 2kbt s SER 842 Ca -0.09 0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.21 2kbt s SER 842 Cb 0.29 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 2kbt s SER 842 CO 0.80 -0.54 0.34 -1.61 0.98 0.00 0.00 173.24 173.21 2kbt s GLU 843 N -1.90 3.78 -0.28 4.02 2.02 -1.26 -4.95 118.70 120.13 2kbt s GLU 843 Ca -0.09 -0.24 -0.00 0.00 0.02 0.00 0.00 54.97 54.66 2kbt s GLU 843 Cb -0.03 -3.73 0.24 0.00 0.10 0.00 0.00 34.13 30.71 2kbt s GLU 843 CO 0.01 -0.39 1.85 0.98 0.02 0.00 0.00 175.26 177.73 2kbt n TYR 844 N 5.32 1.47 -0.81 1.61 4.19 -1.26 -4.97 117.16 122.70 2kbt n TYR 844 Ca -0.10 -1.70 -0.34 0.00 3.31 0.00 0.00 57.90 59.08 2kbt n TYR 844 Cb 0.50 -0.83 0.11 0.00 0.49 0.00 0.00 39.34 39.61 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 0.20 -2.02 -4.78 2.98 4.32 -1.26 -4.91 117.00 111.53 2kbt n LEU 845 Ca 0.29 0.16 -0.36 0.00 -0.02 0.00 0.00 56.01 56.07 2kbt n LEU 845 Cb 0.71 -1.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.47 2kbt n LEU 845 CO 0.34 -3.82 0.74 -2.16 -1.22 0.00 0.00 177.39 171.27 2kbt s PRO 846 N -3.17 4.09 0.83 3.23 0.04 -1.26 -5.02 135.00 133.75 2kbt s PRO 846 Ca 0.52 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 2kbt s PRO 846 Cb -0.15 -2.47 0.10 0.00 0.04 0.00 0.00 34.50 32.01 2kbt s PRO 846 CO 0.70 -0.20 1.12 -1.21 0.04 0.00 0.00 177.00 177.45 2kbt s GLU 847 N -2.62 1.69 0.00 4.56 0.41 -1.26 -5.28 118.70 116.20 2kbt s GLU 847 Ca 0.59 1.37 0.00 0.00 -0.41 0.00 0.00 54.97 56.53 2kbt s GLU 847 Cb -0.21 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.32 2kbt s GLU 847 CO 0.27 -2.10 0.00 -2.37 -0.49 0.00 0.00 175.26 170.57