#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmj s SER 793 N 0.00 -0.37 0.00 -1.12 0.01 -1.26 -5.04 113.70 105.92 2rmj s SER 793 Ca 0.00 -0.30 0.10 0.00 1.31 0.00 0.00 55.95 57.06 2rmj s SER 793 Cb 0.00 0.59 0.13 0.00 0.21 0.00 0.00 66.02 66.95 2rmj s SER 793 CO 0.00 -1.04 0.93 1.67 0.41 0.00 0.00 173.24 175.21 2rmj n GLN 794 N -0.36 1.06 -1.73 12.44 0.00 -1.26 -4.97 117.38 122.56 2rmj n GLN 794 Ca -0.13 -1.34 -0.43 0.00 -0.00 0.00 0.00 57.00 55.11 2rmj n GLN 794 Cb 0.63 -1.20 -0.03 0.00 0.00 0.00 0.00 30.24 29.64 2rmj n GLN 794 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2rmj s GLU 795 N -0.88 3.30 0.47 3.69 2.56 -1.26 -4.96 118.70 121.63 2rmj s GLU 795 Ca 0.14 1.92 -0.14 0.00 0.00 0.00 0.00 54.97 56.89 2rmj s GLU 795 Cb 0.09 -4.29 -0.07 0.00 2.00 0.00 0.00 34.13 31.85 2rmj s GLU 795 CO 0.13 -1.90 0.90 0.15 -0.56 0.00 0.00 175.26 173.98 2rmj s LYS 796 N 5.93 3.87 1.12 4.30 -0.14 -1.26 -5.07 119.74 128.49 2rmj s LYS 796 Ca 0.93 0.75 -0.19 0.00 -1.36 0.00 0.00 55.97 56.10 2rmj s LYS 796 Cb -0.31 -2.24 0.27 0.00 -1.68 0.00 0.00 37.83 33.87 2rmj s LYS 796 CO 0.35 -0.18 1.24 -1.25 -0.76 0.00 0.00 175.35 174.75 2rmj s PRO 797 N -4.00 -0.63 0.20 -1.68 0.04 -1.26 -5.08 135.00 122.58 2rmj s PRO 797 Ca 0.56 -0.38 0.08 0.00 0.04 0.00 0.00 61.00 61.30 2rmj s PRO 797 Cb -0.10 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2rmj s PRO 797 CO 0.32 -3.27 -0.01 -1.59 0.04 0.00 0.00 177.00 172.49 2rmj s LYS 798 N -5.75 2.34 0.33 4.56 -2.85 -1.26 -5.11 119.74 112.01 2rmj s LYS 798 Ca 0.75 -1.20 -0.27 0.00 -1.00 0.00 0.00 55.97 54.25 2rmj s LYS 798 Cb -0.05 -2.29 -0.09 0.00 -2.06 0.00 0.00 37.83 33.34 2rmj s LYS 798 CO 0.55 0.43 1.07 -1.25 0.10 0.00 0.00 175.35 176.25 2rmj s PRO 799 N -3.11 4.42 0.04 1.78 0.04 -1.26 -5.06 135.00 131.86 2rmj s PRO 799 Ca 0.28 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2rmj s PRO 799 Cb -0.09 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 2rmj s PRO 799 CO 0.18 0.06 -0.10 0.54 0.04 0.00 0.00 177.00 177.73 2rmj s VAL 800 N -1.39 0.72 0.00 -0.36 0.11 -1.26 -5.10 120.40 113.11 2rmj s VAL 800 Ca 0.51 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2rmj s VAL 800 Cb -0.27 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 2rmj s VAL 800 CO 0.34 -0.22 0.14 -0.81 -3.33 0.00 0.00 175.10 171.23 2rmj n PRO 801 N 1.72 0.00 -3.21 1.54 -0.04 -1.26 -5.05 135.00 128.70 2rmj n PRO 801 Ca -0.20 0.08 -0.11 0.00 -0.04 0.00 0.00 63.50 63.23 2rmj n PRO 801 Cb 0.55 -0.71 -0.04 0.00 -0.04 0.00 0.00 33.50 33.26 2rmj n PRO 801 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rmj n ASP 802 N -0.75 0.01 -3.54 3.54 8.00 -1.26 -5.18 116.55 117.37 2rmj n ASP 802 Ca 0.00 -2.17 -0.03 0.00 0.71 0.00 0.00 54.79 53.30 2rmj n ASP 802 Cb 0.00 0.80 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 2rmj n ASP 802 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2rmj s LYS 803 N -2.75 1.26 0.15 -1.24 -2.85 -1.26 -5.10 119.74 107.95 2rmj s LYS 803 Ca 0.19 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 2rmj s LYS 803 Cb 0.01 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 2rmj s LYS 803 CO 0.13 -0.58 0.00 -0.85 0.10 0.00 0.00 175.35 174.15 2rmj n GLU 804 N -0.58 0.00 -4.40 1.78 0.28 -1.26 -5.11 120.64 111.35 2rmj n GLU 804 Ca -0.05 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.72 2rmj n GLU 804 Cb 0.60 -0.09 -0.13 0.00 1.43 0.00 0.00 31.44 33.25 2rmj n GLU 804 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2rmj s ASN 805 N -5.11 2.35 0.07 -1.84 3.04 -1.26 -4.87 114.94 107.31 2rmj s ASN 805 Ca 0.00 -0.60 0.03 0.00 0.04 0.00 0.00 52.86 52.33 2rmj s ASN 805 Cb 0.00 -0.15 -0.03 0.00 -1.54 0.00 0.00 41.25 39.53 2rmj s ASN 805 CO 0.00 0.08 -0.09 -0.75 -3.04 0.00 0.00 177.10 173.30 2rmj s LYS 806 N -1.56 0.69 0.33 0.43 2.20 -1.26 -4.47 119.74 116.10 2rmj s LYS 806 Ca 0.06 -0.96 0.03 0.00 -0.36 0.00 0.00 55.97 54.73 2rmj s LYS 806 Cb -0.09 -0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 35.78 2rmj s LYS 806 CO 0.03 0.07 0.50 0.21 -0.36 0.00 0.00 175.35 175.80 2rmj s LYS 807 N -2.20 3.34 0.20 4.03 2.20 0.14 -0.63 119.74 126.82 2rmj s LYS 807 Ca -0.02 -0.60 0.09 0.00 -0.36 0.00 0.00 55.97 55.07 2rmj s LYS 807 Cb -0.06 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 2rmj s LYS 807 CO -0.00 0.15 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.46 2rmj s LEU 808 N -4.23 2.51 0.21 5.43 1.02 0.29 0.18 118.68 124.09 2rmj s LEU 808 Ca 0.40 -0.96 0.02 0.00 0.02 0.00 0.00 54.13 53.61 2rmj s LEU 808 Cb -0.09 -0.80 -0.05 0.00 0.02 0.00 0.00 46.19 45.27 2rmj s LEU 808 CO 0.33 -0.08 0.04 -0.76 0.02 0.00 0.00 176.35 175.90 2rmj s LEU 809 N -3.08 1.95 -0.43 1.79 1.02 -0.36 0.04 118.68 119.61 2rmj s LEU 809 Ca 0.21 -1.25 -0.11 0.00 0.02 0.00 0.00 54.13 52.99 2rmj s LEU 809 Cb -0.03 -0.05 0.07 0.00 0.02 0.00 0.00 46.19 46.20 2rmj s LEU 809 CO 0.08 -0.62 0.29 0.00 0.02 0.00 0.00 176.35 176.12 2rmj n ARG 811 N 5.01 0.00 0.00 0.00 0.63 -1.26 0.18 116.66 121.22 2rmj n ARG 811 Ca -0.11 1.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 2rmj n ARG 811 Cb 0.44 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 30.93 2rmj n ARG 811 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2rmj n LYS 812 N -3.75 0.00 -0.18 -0.14 4.76 -1.26 -3.39 118.16 114.20 2rmj n LYS 812 Ca 0.40 0.56 0.09 0.00 -2.87 0.00 0.00 58.31 56.50 2rmj n LYS 812 Cb 1.88 -1.09 0.18 0.00 -1.84 0.00 0.00 35.03 34.16 2rmj n LYS 812 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rmj n LYS 814 N -1.13 -1.36 -4.38 0.00 4.76 0.48 -4.97 118.16 111.56 2rmj n LYS 814 Ca 0.17 0.84 -0.21 0.00 -2.87 0.00 0.00 58.31 56.24 2rmj n LYS 814 Cb 0.71 -4.20 -0.13 0.00 -1.84 0.00 0.00 35.03 29.57 2rmj n LYS 814 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rmj s ALA 815 N -3.21 1.35 0.09 7.82 0.00 -1.16 -4.76 121.76 121.89 2rmj s ALA 815 Ca 0.23 -0.93 -0.34 0.00 0.00 0.00 0.00 51.96 50.91 2rmj s ALA 815 Cb -0.08 -0.21 -0.18 0.00 0.00 0.00 0.00 23.12 22.65 2rmj s ALA 815 CO 0.83 0.26 0.81 -0.11 0.00 0.00 0.00 175.76 177.55 2rmj n LEU 816 N 1.74 -0.59 -0.02 0.00 -0.00 -1.26 0.13 117.00 117.00 2rmj n LEU 816 Ca -0.18 1.14 -0.04 0.00 -0.00 0.00 0.00 56.01 56.93 2rmj n LEU 816 Cb 0.54 -0.93 -0.01 0.00 -0.00 0.00 0.00 43.42 43.02 2rmj n LEU 816 CO 0.23 -2.40 -0.62 0.00 -0.00 0.00 0.00 177.39 174.59 2rmj n ALA 817 N 0.79 2.65 -3.00 1.96 0.00 0.11 -4.60 120.51 118.42 2rmj n ALA 817 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2rmj n ALA 817 Cb 0.16 0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2rmj n ALA 817 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rmj s TYR 819 N -3.07 1.77 -0.29 0.00 1.51 -1.26 0.10 117.35 116.10 2rmj s TYR 819 Ca 0.00 -0.46 0.27 0.00 -1.01 0.00 0.00 57.07 55.87 2rmj s TYR 819 Cb 0.00 -0.91 0.83 0.00 -0.11 0.00 0.00 41.96 41.77 2rmj s TYR 819 CO 0.00 0.27 1.78 0.00 -1.11 0.00 0.00 175.55 176.49 2rmj h THR 820 N 3.54 0.00 0.00 -0.71 1.03 -1.19 -2.52 112.91 113.05 2rmj h THR 820 Ca -0.43 -0.68 0.00 0.00 -0.01 0.00 0.00 66.41 65.29 2rmj h THR 820 Cb 1.20 1.65 0.00 0.00 -1.07 0.00 0.00 68.15 69.93 2rmj h THR 820 CO 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.98 2rmj n ALA 821 N -2.02 2.51 -0.25 0.00 0.00 -1.26 -2.22 120.51 117.26 2rmj n ALA 821 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2rmj n ALA 821 Cb 0.41 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2rmj n ALA 821 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2rmj n ASP 822 N -1.04 0.91 -4.72 0.00 9.92 -0.96 -5.02 116.55 115.64 2rmj n ASP 822 Ca 0.20 -1.16 -0.39 0.00 -0.53 0.00 0.00 54.79 52.91 2rmj n ASP 822 Cb 0.11 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.54 2rmj n ASP 822 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2rmj s VAL 823 N -0.16 5.07 -0.16 2.53 0.11 -0.94 0.13 120.40 126.97 2rmj s VAL 823 Ca 0.00 1.37 -0.05 0.00 -2.93 0.00 0.00 61.98 60.37 2rmj s VAL 823 Cb 0.00 -4.01 0.08 0.00 -1.53 0.00 0.00 36.38 30.92 2rmj s VAL 823 CO 0.00 0.26 0.31 -0.13 -3.33 0.00 0.00 175.10 172.21 2rmj s ARG 824 N 0.78 0.21 0.55 1.54 1.81 -0.97 -4.99 118.95 117.88 2rmj s ARG 824 Ca 0.36 0.75 -0.15 0.00 -1.72 0.00 0.00 55.73 54.97 2rmj s ARG 824 Cb -0.17 -0.08 -0.06 0.00 -0.45 0.00 0.00 34.95 34.18 2rmj s ARG 824 CO 0.17 -0.34 1.01 0.14 -0.68 0.00 0.00 175.30 175.60 2rmj s VAL 825 N 2.47 4.42 -1.09 3.52 -7.23 -1.26 -3.75 120.40 117.49 2rmj s VAL 825 Ca 0.02 1.08 -0.13 0.00 -1.81 0.00 0.00 61.98 61.15 2rmj s VAL 825 Cb -0.13 -3.68 0.21 0.00 0.56 0.00 0.00 36.38 33.35 2rmj s VAL 825 CO -0.10 -0.74 1.19 -0.63 -0.31 0.00 0.00 175.10 174.50 2rmj s ILE 826 N -2.70 5.43 -1.38 -0.62 1.01 -0.89 -3.10 121.20 118.94 2rmj s ILE 826 Ca 0.59 -2.76 -0.09 0.00 0.00 0.00 0.00 60.65 58.39 2rmj s ILE 826 Cb -0.11 -4.72 0.06 0.00 0.01 0.00 0.00 42.46 37.69 2rmj s ILE 826 CO 0.37 -1.37 0.58 -0.62 0.00 0.00 0.00 174.94 173.90 2rmj n GLU 827 N 4.46 -4.01 -3.05 2.79 -0.58 -1.26 -0.70 120.64 118.29 2rmj n GLU 827 Ca 0.27 0.59 -0.13 0.00 -0.42 0.00 0.00 57.16 57.47 2rmj n GLU 827 Cb 0.43 -5.36 0.06 0.00 -0.57 0.00 0.00 31.44 26.00 2rmj n GLU 827 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2rmj n GLU 828 N -3.93 -4.67 -0.04 3.49 1.02 -1.26 -4.93 120.64 110.32 2rmj n GLU 828 Ca -0.03 0.54 -0.05 0.00 -0.02 0.00 0.00 57.16 57.60 2rmj n GLU 828 Cb 0.56 -4.68 -0.04 0.00 -0.02 0.00 0.00 31.44 27.26 2rmj n GLU 828 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rmj s HIS 830 N -2.15 -0.44 -0.48 0.00 3.76 -1.26 -4.94 115.29 109.77 2rmj s HIS 830 Ca -0.10 0.29 -0.08 0.00 -0.15 0.00 0.00 55.06 55.03 2rmj s HIS 830 Cb 0.03 0.43 0.12 0.00 1.11 0.00 0.00 32.58 34.27 2rmj s HIS 830 CO 0.18 -0.76 0.33 -0.47 -0.85 0.00 0.00 174.74 173.17 2rmj s TYR 831 N -3.37 3.47 0.14 1.40 6.14 -1.26 -2.09 117.35 121.78 2rmj s TYR 831 Ca -0.00 -2.05 0.01 0.00 0.64 0.00 0.00 57.07 55.66 2rmj s TYR 831 Cb -0.00 -3.43 0.01 0.00 0.42 0.00 0.00 41.96 38.95 2rmj s TYR 831 CO -0.09 -0.98 0.06 2.41 0.64 0.00 0.00 175.55 177.58 2rmj n THR 832 N 4.73 0.00 -4.21 4.34 -1.04 -1.25 -3.87 114.28 112.98 2rmj n THR 832 Ca -0.05 -0.61 -0.12 0.00 -2.04 0.00 0.00 64.05 61.23 2rmj n THR 832 Cb 0.41 -0.13 -0.10 0.00 -1.82 0.00 0.00 70.33 68.68 2rmj n THR 832 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2rmj s VAL 833 N -1.09 0.15 0.31 12.58 1.01 -1.26 -2.30 120.40 129.81 2rmj s VAL 833 Ca 0.04 -1.97 0.04 0.00 0.00 0.00 0.00 61.98 60.09 2rmj s VAL 833 Cb -0.00 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 2rmj s VAL 833 CO 0.03 -0.16 0.05 -0.76 0.00 0.00 0.00 175.10 174.25 2rmj s LEU 834 N -3.15 2.18 0.00 3.92 1.43 0.12 -4.90 118.68 118.27 2rmj s LEU 834 Ca 0.34 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 2rmj s LEU 834 Cb 0.07 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.92 2rmj s LEU 834 CO 0.09 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 176.70 2rmj n GLY 835 N -0.64 0.70 0.06 -3.19 0.00 -1.26 -4.72 105.19 96.14 2rmj n GLY 835 Ca -0.03 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.71 2rmj n GLY 835 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2rmj n ASP 836 N -0.15 0.25 -0.34 1.61 5.75 -1.26 -2.24 116.55 120.17 2rmj n ASP 836 Ca 0.00 0.59 0.12 0.00 -0.01 0.00 0.00 54.79 55.48 2rmj n ASP 836 Cb 0.00 -0.63 0.32 0.00 -1.03 0.00 0.00 41.12 39.78 2rmj n ASP 836 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rmj h ALA 837 N 2.21 1.69 0.00 2.12 0.00 -2.00 0.21 119.26 123.49 2rmj h ALA 837 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2rmj h ALA 837 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2rmj h ALA 837 CO 0.00 -0.01 -0.89 0.27 0.00 0.00 0.00 179.25 178.62 2rmj h PHE 838 N 0.80 0.00 0.00 0.00 -5.15 -1.73 -3.16 116.94 107.70 2rmj h PHE 838 Ca 0.54 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 58.30 2rmj h PHE 838 Cb 0.80 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.97 2rmj h PHE 838 CO -0.00 0.38 -0.03 0.87 -2.00 0.00 0.00 178.31 177.53 2rmj h LYS 839 N 0.00 0.00 0.00 6.09 1.57 -0.67 0.13 116.57 123.68 2rmj h LYS 839 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2rmj h LYS 839 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2rmj h LYS 839 CO 0.04 0.03 -1.04 -0.85 -0.57 0.00 0.00 179.45 177.05 2rmj n GLU 840 N -3.69 0.35 0.04 3.15 0.28 -0.80 -4.17 120.64 115.81 2rmj n GLU 840 Ca -0.03 -0.02 -0.12 0.00 -0.16 0.00 0.00 57.16 56.84 2rmj n GLU 840 Cb 0.12 -1.46 -0.13 0.00 1.43 0.00 0.00 31.44 31.40 2rmj n GLU 840 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rmj n PHE 842 N -3.33 0.15 -3.91 0.00 -1.74 0.09 -1.84 117.46 106.88 2rmj n PHE 842 Ca -0.11 -0.38 -0.09 0.00 -0.56 0.00 0.00 57.45 56.30 2rmj n PHE 842 Cb 1.01 -0.04 -0.07 0.00 1.52 0.00 0.00 39.48 41.90 2rmj n PHE 842 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2rmj s VAL 843 N -1.36 0.08 -0.04 1.97 -7.23 0.94 -4.39 120.40 110.38 2rmj s VAL 843 Ca 0.01 -1.27 -0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2rmj s VAL 843 Cb 0.00 -1.69 0.03 0.00 0.56 0.00 0.00 36.38 35.28 2rmj s VAL 843 CO 0.00 -0.36 0.00 -0.94 -0.31 0.00 0.00 175.10 173.50 2rmj s SER 844 N -2.93 0.67 0.10 4.85 1.04 -1.26 -1.62 113.70 114.54 2rmj s SER 844 Ca 0.13 -0.03 0.09 0.00 0.48 0.00 0.00 55.95 56.62 2rmj s SER 844 Cb 0.03 -0.25 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 2rmj s SER 844 CO -0.03 -0.12 -0.22 -0.13 0.98 0.00 0.00 173.24 173.71 2rmj s ARG 845 N 1.24 1.24 0.00 4.02 1.81 0.92 -4.95 118.95 123.23 2rmj s ARG 845 Ca -0.07 -1.16 0.00 0.00 -1.72 0.00 0.00 55.73 52.78 2rmj s ARG 845 Cb -0.13 -1.53 0.00 0.00 -0.45 0.00 0.00 34.95 32.84 2rmj s ARG 845 CO -0.02 0.36 0.00 -0.35 -0.68 0.00 0.00 175.30 174.61 2rmj n PRO 846 N 1.20 0.63 -0.96 3.54 -0.04 -1.26 0.69 135.00 138.79 2rmj n PRO 846 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 2rmj n PRO 846 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 2rmj n PRO 846 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2rmj n HIS 847 N -0.74 0.00 -2.48 0.54 8.25 -1.26 -4.39 115.22 115.14 2rmj n HIS 847 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2rmj n HIS 847 Cb 0.00 -0.96 -0.04 0.00 1.12 0.00 0.00 29.99 30.11 2rmj n HIS 847 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2rmj s PRO 848 N -0.02 4.55 -0.19 -0.41 0.04 -1.26 -4.66 135.00 133.04 2rmj s PRO 848 Ca 0.00 1.74 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 2rmj s PRO 848 Cb 0.00 -3.29 0.07 0.00 0.04 0.00 0.00 34.50 31.32 2rmj s PRO 848 CO 0.00 -0.01 0.12 0.21 0.04 0.00 0.00 177.00 177.36 2rmj s LYS 849 N -0.07 0.10 0.39 4.56 2.47 -1.26 -5.14 119.74 120.79 2rmj s LYS 849 Ca 0.51 -0.10 -0.24 0.00 -1.56 0.00 0.00 55.97 54.58 2rmj s LYS 849 Cb -0.30 -1.61 -0.09 0.00 -1.46 0.00 0.00 37.83 34.37 2rmj s LYS 849 CO 0.34 -0.73 1.06 -1.25 0.16 0.00 0.00 175.35 174.93 2rmj s PRO 850 N 2.17 4.19 0.24 4.03 0.04 -1.26 -5.03 135.00 139.38 2rmj s PRO 850 Ca 0.04 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2rmj s PRO 850 Cb -0.16 -2.59 -0.00 0.00 0.04 0.00 0.00 34.50 31.79 2rmj s PRO 850 CO -0.14 -0.12 0.00 0.36 0.04 0.00 0.00 177.00 177.14 2rmj n LYS 851 N 0.02 1.42 0.00 4.56 2.85 -1.26 -5.07 118.16 120.69 2rmj n LYS 851 Ca 0.05 -1.73 0.00 0.00 -1.05 0.00 0.00 58.31 55.58 2rmj n LYS 851 Cb 0.49 0.46 0.00 0.00 -0.65 0.00 0.00 35.03 35.34 2rmj n LYS 851 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2rmj n GLN 852 N -0.59 0.00 -4.21 -1.58 6.02 -1.26 -4.72 117.38 111.03 2rmj n GLN 852 Ca -0.10 0.66 -0.19 0.00 -0.01 0.00 0.00 57.00 57.37 2rmj n GLN 852 Cb 0.30 -1.24 -0.12 0.00 1.02 0.00 0.00 30.24 30.21 2rmj n GLN 852 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2rmj s PHE 853 N -1.94 1.36 -0.30 1.08 -0.71 -1.26 -5.13 117.98 111.07 2rmj s PHE 853 Ca 0.00 -0.49 -0.16 0.00 -1.04 0.00 0.00 56.93 55.23 2rmj s PHE 853 Cb 0.00 -0.74 0.18 0.00 -1.21 0.00 0.00 43.02 41.25 2rmj s PHE 853 CO 0.00 0.11 1.12 -1.12 -1.34 0.00 0.00 175.22 173.99 2rmj s SER 854 N -2.05 -0.35 0.10 1.98 0.01 -1.26 -5.06 113.70 107.06 2rmj s SER 854 Ca 0.03 0.38 -0.34 0.00 1.31 0.00 0.00 55.95 57.34 2rmj s SER 854 Cb -0.08 1.36 -0.14 0.00 0.21 0.00 0.00 66.02 67.37 2rmj s SER 854 CO 0.03 -0.07 1.57 0.28 0.41 0.00 0.00 173.24 175.46 2rmj h SER 855 N 7.53 -1.36 -4.50 2.44 0.02 -2.02 -3.43 113.55 112.23 2rmj h SER 855 Ca -0.14 0.13 -0.40 0.00 -0.84 0.00 0.00 61.79 60.54 2rmj h SER 855 Cb 1.14 0.48 0.11 0.00 0.14 0.00 0.00 62.40 64.27 2rmj h SER 855 CO 0.01 -0.59 0.23 0.49 -1.14 0.00 0.00 176.83 175.83 2rmj n PHE 856 N -5.52 -3.47 -3.65 3.45 3.01 -1.26 -5.08 117.46 104.94 2rmj n PHE 856 Ca -0.10 -1.32 -0.29 0.00 1.01 0.00 0.00 57.45 56.75 2rmj n PHE 856 Cb 0.42 -0.78 -0.14 0.00 -0.01 0.00 0.00 39.48 38.98 2rmj n PHE 856 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2rmj s GLU 857 N -5.19 0.75 0.84 -1.08 -1.05 -1.26 -5.12 118.70 106.59 2rmj s GLU 857 Ca 0.63 -1.29 -0.12 0.00 -0.15 0.00 0.00 54.97 54.04 2rmj s GLU 857 Cb -0.03 -1.82 0.10 0.00 -0.44 0.00 0.00 34.13 31.94 2rmj s GLU 857 CO 0.43 -1.08 1.19 0.36 0.95 0.00 0.00 175.26 177.10 2rmj n LYS 858 N 4.40 0.02 0.00 -4.83 0.00 -1.26 -4.51 118.16 111.98 2rmj n LYS 858 Ca 0.03 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 2rmj n LYS 858 Cb 0.39 -2.42 0.00 0.00 -0.00 0.00 0.00 35.03 33.00 2rmj n LYS 858 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2rmj n ARG 859 N -3.52 0.77 -3.27 -1.58 0.63 0.23 -4.82 116.66 105.10 2rmj n ARG 859 Ca 0.13 -0.72 0.03 0.00 -0.92 0.00 0.00 57.85 56.38 2rmj n ARG 859 Cb 0.51 -0.73 -0.03 0.00 0.45 0.00 0.00 32.46 32.66 2rmj n ARG 859 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2rmj s ALA 860 N -0.31 -3.09 0.95 5.13 0.00 -0.85 -4.36 121.76 119.24 2rmj s ALA 860 Ca 0.00 1.81 -0.12 0.00 0.00 0.00 0.00 51.96 53.65 2rmj s ALA 860 Cb 0.00 -2.24 0.16 0.00 0.00 0.00 0.00 23.12 21.04 2rmj s ALA 860 CO 0.00 -1.08 1.09 0.15 0.00 0.00 0.00 175.76 175.91 2rmj s LYS 861 N 2.44 0.77 0.07 0.00 3.01 0.22 0.19 119.74 126.44 2rmj s LYS 861 Ca -0.01 0.87 0.07 0.00 -1.01 0.00 0.00 55.97 55.88 2rmj s LYS 861 Cb -0.05 -1.75 -0.03 0.00 -1.01 0.00 0.00 37.83 34.99 2rmj s LYS 861 CO -0.15 -2.59 -0.18 0.96 0.51 0.00 0.00 175.35 173.90 2rmj s ILE 862 N -2.83 1.46 0.03 2.17 -5.25 -1.19 -0.06 121.20 115.54 2rmj s ILE 862 Ca 0.65 -1.33 -0.13 0.00 -0.99 0.00 0.00 60.65 58.85 2rmj s ILE 862 Cb -0.20 -1.33 0.02 0.00 2.95 0.00 0.00 42.46 43.90 2rmj s ILE 862 CO 0.58 -0.03 0.28 -0.36 -1.79 0.00 0.00 174.94 173.62 2rmj s PHE 863 N -1.06 -0.09 0.16 1.37 0.08 -0.64 -3.74 117.98 114.07 2rmj s PHE 863 Ca 0.04 -0.02 -0.31 0.00 0.12 0.00 0.00 56.93 56.76 2rmj s PHE 863 Cb -0.09 0.07 -0.11 0.00 -0.57 0.00 0.00 43.02 42.32 2rmj s PHE 863 CO 0.03 -0.46 1.70 0.00 -0.10 0.00 0.00 175.22 176.38 2rmj h ALA 865 N 7.38 1.10 -2.32 0.00 0.00 -1.56 -3.28 119.26 120.60 2rmj h ALA 865 Ca -0.44 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.15 2rmj h ALA 865 Cb 1.21 -0.02 0.11 0.00 0.00 0.00 0.00 17.79 19.08 2rmj h ALA 865 CO 0.94 0.19 -0.09 0.54 0.00 0.00 0.00 179.25 180.83 2rmj n ARG 866 N -3.42 -1.91 -0.33 0.00 5.12 -1.26 -4.71 116.66 110.14 2rmj n ARG 866 Ca -0.01 -0.74 0.21 0.00 -1.93 0.00 0.00 57.85 55.38 2rmj n ARG 866 Cb 0.33 -1.30 0.39 0.00 -1.16 0.00 0.00 32.46 30.73 2rmj n ARG 866 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2rmj n GLN 867 N -2.18 -0.07 -2.56 5.56 0.00 -1.26 -3.51 117.38 113.35 2rmj n GLN 867 Ca 0.07 1.44 -0.42 0.00 -0.00 0.00 0.00 57.00 58.09 2rmj n GLN 867 Cb 0.31 -2.39 -0.03 0.00 0.00 0.00 0.00 30.24 28.13 2rmj n GLN 867 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2rmj s ASN 868 N -4.84 6.29 0.08 1.69 0.01 -1.26 -4.78 114.94 112.13 2rmj s ASN 868 Ca -0.11 -0.21 0.22 0.00 -0.71 0.00 0.00 52.86 52.05 2rmj s ASN 868 Cb 0.31 -2.56 -0.14 0.00 0.41 0.00 0.00 41.25 39.26 2rmj s ASN 868 CO 0.77 -1.68 0.80 0.00 -1.51 0.00 0.00 177.10 175.47 2rmj n SER 870 N -2.39 3.95 -4.15 0.00 3.41 -1.26 -4.53 113.62 108.65 2rmj n SER 870 Ca -0.01 -2.96 -0.38 0.00 -0.26 0.00 0.00 58.87 55.25 2rmj n SER 870 Cb 0.54 -0.70 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 2rmj n SER 870 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2rmj s HIS 871 N -2.36 3.51 -0.15 7.33 3.76 -1.25 -5.03 115.29 121.11 2rmj s HIS 871 Ca 0.41 -2.31 -0.16 0.00 -0.15 0.00 0.00 55.06 52.85 2rmj s HIS 871 Cb 0.33 -3.32 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 2rmj s HIS 871 CO 0.10 -0.95 0.41 0.16 -0.85 0.00 0.00 174.74 173.60 2rmj s ASP 872 N 1.86 6.56 0.00 1.40 1.47 -1.26 -0.25 116.67 126.45 2rmj s ASP 872 Ca 0.10 0.66 0.00 0.00 1.18 0.00 0.00 52.55 54.49 2rmj s ASP 872 Cb -0.23 -2.24 0.00 0.00 -0.34 0.00 0.00 42.92 40.11 2rmj s ASP 872 CO -0.03 0.01 0.57 -2.67 0.68 0.00 0.00 175.17 173.73 2rmj n TRP 873 N 3.82 0.00 -2.30 2.11 4.27 -1.25 -5.00 117.44 119.09 2rmj n TRP 873 Ca -0.09 -0.08 0.00 0.00 -3.89 0.00 0.00 57.50 53.44 2rmj n TRP 873 Cb 0.52 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 2rmj n TRP 873 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2rmj n GLY 874 N -0.08 1.70 3.49 -1.67 0.00 -1.26 -4.62 105.19 102.76 2rmj n GLY 874 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 2rmj n GLY 874 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2rmj s ILE 875 N -1.97 0.00 -0.29 -0.61 -5.25 -1.23 -3.17 121.20 108.68 2rmj s ILE 875 Ca 0.00 -1.58 0.02 0.00 -0.99 0.00 0.00 60.65 58.10 2rmj s ILE 875 Cb 0.00 -2.56 0.08 0.00 2.95 0.00 0.00 42.46 42.93 2rmj s ILE 875 CO 0.00 0.00 -0.01 -2.28 -1.79 0.00 0.00 174.94 170.86 2rmj s HIS 876 N -3.27 3.09 0.49 1.37 2.46 0.50 -2.16 115.29 117.77 2rmj s HIS 876 Ca 0.29 -2.39 0.05 0.00 0.47 0.00 0.00 55.06 53.48 2rmj s HIS 876 Cb -0.00 -2.21 0.05 0.00 -0.13 0.00 0.00 32.58 30.29 2rmj s HIS 876 CO 0.18 -0.88 0.38 1.33 -2.47 0.00 0.00 174.74 173.28 2rmj n VAL 877 N 4.46 0.00 -4.35 0.89 0.24 -1.20 -0.60 118.33 117.77 2rmj n VAL 877 Ca -0.05 -1.94 -0.20 0.00 -2.04 0.00 0.00 64.34 60.11 2rmj n VAL 877 Cb 0.42 -0.10 -0.13 0.00 -1.47 0.00 0.00 33.84 32.56 2rmj n VAL 877 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2rmj s LYS 878 N -4.03 0.95 0.16 7.34 2.20 -1.26 -2.61 119.74 122.49 2rmj s LYS 878 Ca 0.29 -0.80 0.07 0.00 -0.36 0.00 0.00 55.97 55.17 2rmj s LYS 878 Cb -0.02 -0.97 -0.04 0.00 -1.51 0.00 0.00 37.83 35.28 2rmj s LYS 878 CO 0.18 0.24 -0.14 -0.47 -0.36 0.00 0.00 175.35 174.80 2rmj s TYR 879 N -0.91 1.57 0.56 4.03 5.04 -0.49 -4.91 117.35 122.24 2rmj s TYR 879 Ca 0.02 -0.57 0.36 0.00 -2.44 0.00 0.00 57.07 54.43 2rmj s TYR 879 Cb -0.08 -0.78 1.50 0.00 0.35 0.00 0.00 41.96 42.96 2rmj s TYR 879 CO 0.01 0.25 1.75 0.87 -1.34 0.00 0.00 175.55 177.09 2rmj h LYS 880 N 3.03 0.00 0.00 4.97 1.79 -2.05 -2.48 116.57 121.83 2rmj h LYS 880 Ca -0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2rmj h LYS 880 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2rmj h LYS 880 CO 0.56 0.00 0.00 2.41 -1.08 0.00 0.00 179.45 181.34 2rmj n THR 881 N -4.00 0.00 -4.02 -0.16 -1.04 -1.26 -5.06 114.28 98.74 2rmj n THR 881 Ca 0.25 0.35 -0.10 0.00 -2.04 0.00 0.00 64.05 62.50 2rmj n THR 881 Cb 1.26 -1.05 -0.05 0.00 -1.82 0.00 0.00 70.33 68.67 2rmj n THR 881 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2rmj s PHE 882 N -0.70 0.53 -0.22 -1.42 0.08 -0.93 -5.15 117.98 110.17 2rmj s PHE 882 Ca 0.00 -0.88 -0.09 0.00 0.12 0.00 0.00 56.93 56.09 2rmj s PHE 882 Cb 0.00 0.13 -0.04 0.00 -0.57 0.00 0.00 43.02 42.54 2rmj s PHE 882 CO 0.00 -1.03 0.11 -1.21 -0.10 0.00 0.00 175.22 172.98 2rmj s GLU 883 N -3.75 3.96 0.13 0.44 2.02 -1.26 -1.39 118.70 118.85 2rmj s GLU 883 Ca 0.25 -0.33 -0.19 0.00 0.02 0.00 0.00 54.97 54.71 2rmj s GLU 883 Cb -0.00 -3.37 0.05 0.00 0.10 0.00 0.00 34.13 30.90 2rmj s GLU 883 CO 0.11 0.11 0.48 0.96 0.02 0.00 0.00 175.26 176.94 2rmj s ILE 884 N 0.87 0.04 -0.28 -1.63 -5.25 -1.08 -5.00 121.20 108.88 2rmj s ILE 884 Ca 0.05 -0.35 -0.29 0.00 -0.99 0.00 0.00 60.65 59.07 2rmj s ILE 884 Cb -0.13 -1.09 -0.00 0.00 2.95 0.00 0.00 42.46 44.18 2rmj s ILE 884 CO 0.03 -0.19 1.34 -2.16 -1.79 0.00 0.00 174.94 172.16 2rmj s PRO 885 N -3.67 3.92 -0.24 0.37 0.04 -1.26 -3.25 135.00 130.92 2rmj s PRO 885 Ca 0.02 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 62.29 2rmj s PRO 885 Cb 0.01 -3.89 -0.05 0.00 0.04 0.00 0.00 34.50 30.61 2rmj s PRO 885 CO -0.11 -1.12 0.14 0.54 0.04 0.00 0.00 177.00 176.49 2rmj s VAL 886 N 4.42 5.21 0.52 -0.36 0.11 -0.92 -4.65 120.40 124.73 2rmj s VAL 886 Ca 0.58 0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.77 2rmj s VAL 886 Cb -0.18 -3.42 -0.00 0.00 -1.53 0.00 0.00 36.38 31.24 2rmj s VAL 886 CO 0.23 0.35 0.07 -0.63 -3.33 0.00 0.00 175.10 171.79 2rmj s ILE 887 N 1.07 1.21 0.72 7.04 -1.09 -1.25 -3.52 121.20 125.39 2rmj s ILE 887 Ca 0.07 -1.92 0.01 0.00 -2.23 0.00 0.00 60.65 56.58 2rmj s ILE 887 Cb -0.14 -2.13 0.14 0.00 -1.58 0.00 0.00 42.46 38.75 2rmj s ILE 887 CO 0.04 0.00 0.99 -1.59 -1.23 0.00 0.00 174.94 173.16 2rmj s LYS 888 N -3.95 1.63 -0.04 2.79 -2.85 -1.26 -4.33 119.74 111.73 2rmj s LYS 888 Ca 0.09 -1.31 -0.11 0.00 -1.00 0.00 0.00 55.97 53.64 2rmj s LYS 888 Cb 0.01 -2.37 -0.31 0.00 -2.06 0.00 0.00 37.83 33.10 2rmj s LYS 888 CO 0.05 -1.47 0.69 0.97 0.10 0.00 0.00 175.35 175.69 2rmj h ILE 889 N -0.50 0.96 -0.49 3.79 -0.00 -1.93 -3.32 117.51 116.02 2rmj h ILE 889 Ca -0.34 -2.52 -0.32 0.00 -0.00 0.00 0.00 64.86 61.68 2rmj h ILE 889 Cb 1.27 2.78 -0.14 0.00 -0.00 0.00 0.00 36.82 40.73 2rmj h ILE 889 CO 0.38 0.86 0.42 -1.84 -0.00 0.00 0.00 178.15 177.96 2rmj n GLU 890 N -3.60 1.80 -0.09 2.19 0.28 -1.26 -3.89 120.64 116.07 2rmj n GLU 890 Ca -0.24 -1.59 -0.12 0.00 -0.16 0.00 0.00 57.16 55.05 2rmj n GLU 890 Cb 1.08 -1.62 -0.09 0.00 1.43 0.00 0.00 31.44 32.24 2rmj n GLU 890 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2rmj n SER 891 N 0.25 2.37 -4.35 -1.84 2.88 -1.25 -5.02 113.62 106.65 2rmj n SER 891 Ca 0.31 -0.08 -0.22 0.00 -1.33 0.00 0.00 58.87 57.55 2rmj n SER 891 Cb 0.64 -0.09 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 2rmj n SER 891 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2rmj s PHE 892 N -2.36 1.85 0.41 0.66 -0.12 -1.25 -4.29 117.98 112.87 2rmj s PHE 892 Ca -0.22 -1.07 0.08 0.00 -0.05 0.00 0.00 56.93 55.67 2rmj s PHE 892 Cb 0.06 -1.19 -0.02 0.00 -0.63 0.00 0.00 43.02 41.24 2rmj s PHE 892 CO 0.45 -0.12 0.37 0.14 -0.05 0.00 0.00 175.22 176.02 2rmj s VAL 893 N -3.35 2.73 -0.23 -2.49 -7.23 0.76 -4.55 120.40 106.03 2rmj s VAL 893 Ca 0.34 -1.34 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2rmj s VAL 893 Cb 0.07 -3.01 0.06 0.00 0.56 0.00 0.00 36.38 34.06 2rmj s VAL 893 CO 0.15 -0.01 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.19 2rmj s VAL 894 N -2.46 1.48 -0.20 1.32 1.01 0.19 -1.22 120.40 120.52 2rmj s VAL 894 Ca 0.48 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2rmj s VAL 894 Cb -0.03 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2rmj s VAL 894 CO 0.28 -0.12 -0.08 -0.70 0.00 0.00 0.00 175.10 174.48 2rmj s GLU 895 N 1.42 3.34 0.38 2.72 2.12 0.48 -2.44 118.70 126.71 2rmj s GLU 895 Ca -0.05 -0.66 -0.26 0.00 0.36 0.00 0.00 54.97 54.36 2rmj s GLU 895 Cb -0.19 -2.88 -0.09 0.00 0.26 0.00 0.00 34.13 31.23 2rmj s GLU 895 CO -0.06 -0.11 1.13 0.34 -0.54 0.00 0.00 175.26 176.02 2rmj s ASP 896 N 1.21 6.71 0.00 -1.70 -1.08 -1.20 0.26 116.67 120.86 2rmj s ASP 896 Ca 0.02 2.27 0.26 0.00 -0.52 0.00 0.00 52.55 54.58 2rmj s ASP 896 Cb -0.14 -2.61 0.70 0.00 -1.46 0.00 0.00 42.92 39.41 2rmj s ASP 896 CO -0.03 -0.54 1.55 -0.38 0.52 0.00 0.00 175.17 176.29 2rmj n ILE 897 N 0.24 0.00 0.71 4.11 -0.00 -1.26 0.19 119.36 123.34 2rmj n ILE 897 Ca 0.03 -0.02 0.08 0.00 -0.00 0.00 0.00 62.75 62.84 2rmj n ILE 897 Cb 0.47 0.13 -0.02 0.00 -0.00 0.00 0.00 39.64 40.22 2rmj n ILE 897 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2rmj n ALA 898 N -1.34 3.32 0.00 -1.39 0.00 -1.26 -4.70 120.51 115.13 2rmj n ALA 898 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2rmj n ALA 898 Cb 0.33 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2rmj n ALA 898 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2rmj n THR 899 N -0.35 0.00 -0.60 0.00 -2.24 -1.21 -5.04 114.28 104.83 2rmj n THR 899 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2rmj n THR 899 Cb 0.32 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 2rmj n THR 899 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rmj n GLY 900 N 1.97 0.65 3.56 3.38 0.00 0.50 -4.94 105.19 110.31 2rmj n GLY 900 Ca 0.00 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 2rmj n GLY 900 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rmj s VAL 901 N -2.00 4.22 -0.01 1.61 1.01 -1.26 -4.69 120.40 119.28 2rmj s VAL 901 Ca 0.00 0.73 -0.16 0.00 0.00 0.00 0.00 61.98 62.55 2rmj s VAL 901 Cb 0.00 -4.61 -0.06 0.00 0.00 0.00 0.00 36.38 31.71 2rmj s VAL 901 CO 0.00 -1.16 0.45 0.00 0.00 0.00 0.00 175.10 174.39 2rmj s GLN 902 N 4.41 4.04 0.10 2.72 -2.07 -1.26 -3.27 119.66 124.35 2rmj s GLN 902 Ca 0.39 0.47 -0.16 0.00 -1.82 0.00 0.00 55.36 54.24 2rmj s GLN 902 Cb -0.09 -3.26 0.03 0.00 -1.09 0.00 0.00 33.01 28.60 2rmj s GLN 902 CO 0.25 0.59 0.38 0.99 -1.32 0.00 0.00 175.29 176.18 2rmj s THR 903 N -0.78 0.07 -0.19 3.63 2.01 -1.02 -4.90 115.64 114.46 2rmj s THR 903 Ca 0.25 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 2rmj s THR 903 Cb -0.17 -1.13 0.05 0.00 0.01 0.00 0.00 72.50 71.26 2rmj s THR 903 CO 0.14 -0.33 -0.01 -1.48 -0.69 0.00 0.00 174.62 172.24 2rmj s LEU 904 N -2.63 1.60 0.00 4.42 0.05 -1.26 0.53 118.68 121.38 2rmj s LEU 904 Ca 0.01 -0.81 -0.18 0.00 0.05 0.00 0.00 54.13 53.21 2rmj s LEU 904 Cb 0.01 -0.82 0.26 0.00 -2.05 0.00 0.00 46.19 43.60 2rmj s LEU 904 CO -0.10 -0.24 1.12 -1.22 -0.55 0.00 0.00 176.35 175.36 2rmj n TYR 905 N 4.91 -3.91 -0.01 3.48 4.01 -1.26 -5.03 117.16 119.36 2rmj n TYR 905 Ca -0.10 -1.01 -0.01 0.00 -0.16 0.00 0.00 57.90 56.62 2rmj n TYR 905 Cb 0.47 -1.04 -0.01 0.00 -0.31 0.00 0.00 39.34 38.46 2rmj n TYR 905 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2rmj n SER 906 N -4.39 3.96 -4.41 7.72 2.88 -1.26 -4.05 113.62 114.08 2rmj n SER 906 Ca 0.15 -0.01 -0.21 0.00 -1.33 0.00 0.00 58.87 57.47 2rmj n SER 906 Cb 0.55 0.03 -0.10 0.00 -0.75 0.00 0.00 64.21 63.94 2rmj n SER 906 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2rmj s LYS 907 N -2.03 1.50 0.26 -1.46 2.47 -1.26 -4.34 119.74 114.87 2rmj s LYS 907 Ca -0.02 -1.69 0.23 0.00 -1.56 0.00 0.00 55.97 52.93 2rmj s LYS 907 Cb 0.01 -1.35 0.99 0.00 -1.46 0.00 0.00 37.83 36.02 2rmj s LYS 907 CO 0.04 0.20 1.71 0.91 0.16 0.00 0.00 175.35 178.36 2rmj n TRP 908 N -0.51 0.81 0.28 4.03 8.01 -1.26 -1.59 117.44 127.21 2rmj n TRP 908 Ca -0.07 0.32 0.07 0.00 -1.31 0.00 0.00 57.50 56.52 2rmj n TRP 908 Cb 0.61 -1.02 0.34 0.00 -2.01 0.00 0.00 31.31 29.23 2rmj n TRP 908 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04 2rmj n LYS 909 N -2.24 0.08 0.01 -0.99 2.85 -1.26 -0.14 118.16 116.46 2rmj n LYS 909 Ca 0.02 0.43 0.12 0.00 -1.05 0.00 0.00 58.31 57.84 2rmj n LYS 909 Cb 0.22 -1.69 0.30 0.00 -0.65 0.00 0.00 35.03 33.21 2rmj n LYS 909 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2rmj n ASP 910 N -1.85 0.44 -4.71 -5.58 10.43 -0.62 -4.91 116.55 109.75 2rmj n ASP 910 Ca 0.01 -0.08 -0.33 0.00 2.57 0.00 0.00 54.79 56.96 2rmj n ASP 910 Cb 0.12 0.11 0.12 0.00 1.84 0.00 0.00 41.12 43.31 2rmj n ASP 910 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 2rmj s PHE 911 N -3.02 1.95 -0.23 1.24 -0.71 0.80 -4.96 117.98 113.04 2rmj s PHE 911 Ca 0.11 1.66 0.13 0.00 -1.04 0.00 0.00 56.93 57.79 2rmj s PHE 911 Cb 0.17 -3.40 0.46 0.00 -1.21 0.00 0.00 43.02 39.04 2rmj s PHE 911 CO 0.67 -2.61 1.18 0.72 -1.34 0.00 0.00 175.22 173.84 2rmj n HIS 912 N -3.28 1.51 -3.92 3.49 8.25 -1.26 -5.05 115.22 114.96 2rmj n HIS 912 Ca 0.13 -1.85 0.00 0.00 -0.26 0.00 0.00 57.72 55.73 2rmj n HIS 912 Cb 0.51 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2rmj n HIS 912 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2rmj n PHE 913 N -0.66 0.00 -4.33 4.41 3.01 -1.26 -5.18 117.46 113.44 2rmj n PHE 913 Ca 0.27 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.55 2rmj n PHE 913 Cb 0.89 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.26 2rmj n PHE 913 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2rmj s GLU 914 N -1.75 1.49 0.04 -1.08 -1.05 -1.26 -5.12 118.70 109.97 2rmj s GLU 914 Ca 0.00 -1.83 -0.30 0.00 -0.15 0.00 0.00 54.97 52.69 2rmj s GLU 914 Cb 0.00 -0.23 -0.06 0.00 -0.44 0.00 0.00 34.13 33.40 2rmj s GLU 914 CO 0.00 -0.35 1.31 -1.59 0.95 0.00 0.00 175.26 175.58 2rmj s LYS 915 N -3.95 4.35 0.01 -4.83 -2.85 -1.26 -4.51 119.74 106.70 2rmj s LYS 915 Ca 0.37 1.89 0.03 0.00 -1.00 0.00 0.00 55.97 57.26 2rmj s LYS 915 Cb 0.07 -3.43 -0.01 0.00 -2.06 0.00 0.00 37.83 32.40 2rmj s LYS 915 CO 0.15 -0.43 -0.09 0.42 0.10 0.00 0.00 175.35 175.50 2rmj s ILE 916 N 1.67 0.70 -0.18 3.79 1.01 -1.18 -4.92 121.20 122.09 2rmj s ILE 916 Ca 0.61 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 2rmj s ILE 916 Cb -0.31 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 2rmj s ILE 916 CO 0.28 0.08 1.28 -2.16 0.00 0.00 0.00 174.94 174.42 2rmj s PRO 917 N -0.51 4.20 -0.78 2.79 0.04 -1.26 -4.13 135.00 135.34 2rmj s PRO 917 Ca 0.01 1.64 -0.23 0.00 0.04 0.00 0.00 61.00 62.46 2rmj s PRO 917 Cb -0.05 -3.79 -0.17 0.00 0.04 0.00 0.00 34.50 30.53 2rmj s PRO 917 CO 0.00 -0.76 2.41 0.34 0.04 0.00 0.00 177.00 179.03 2rmj n PHE 918 N 6.75 0.91 -2.05 0.56 -0.00 -1.26 -4.86 117.46 117.50 2rmj n PHE 918 Ca 0.14 0.09 -0.42 0.00 -0.00 0.00 0.00 57.45 57.26 2rmj n PHE 918 Cb 0.45 -2.16 -0.03 0.00 -0.00 0.00 0.00 39.48 37.74 2rmj n PHE 918 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2rmj s ASP 919 N 8.78 6.71 0.07 -2.13 1.11 -1.26 -4.87 116.67 125.08 2rmj s ASP 919 Ca 1.09 2.42 0.23 0.00 0.18 0.00 0.00 52.55 56.47 2rmj s ASP 919 Cb -0.47 -2.58 0.92 0.00 1.07 0.00 0.00 42.92 41.86 2rmj s ASP 919 CO 0.30 -0.77 1.71 -0.81 1.18 0.00 0.00 175.17 176.78 2rmj n PRO 920 N 4.53 0.07 0.16 8.23 -0.04 -1.26 -2.55 135.00 144.15 2rmj n PRO 920 Ca 0.13 0.19 0.02 0.00 -0.04 0.00 0.00 63.50 63.80 2rmj n PRO 920 Cb 0.41 -1.61 0.25 0.00 -0.04 0.00 0.00 33.50 32.51 2rmj n PRO 920 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rmj h ALA 921 N 2.64 0.98 0.00 0.55 0.00 -1.90 -3.17 119.26 118.37 2rmj h ALA 921 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2rmj h ALA 921 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2rmj h ALA 921 CO 0.00 0.62 -0.24 0.93 0.00 0.00 0.00 179.25 180.56 2rmj h GLU 922 N 0.00 0.00 -0.98 0.00 5.08 -1.89 -3.35 114.58 113.44 2rmj h GLU 922 Ca -0.00 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.60 2rmj h GLU 922 Cb 1.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.07 2rmj h GLU 922 CO 0.06 0.96 -0.06 -0.12 -1.00 0.00 0.00 179.01 178.86 2rmj n MET 923 N -4.58 -0.08 -3.62 2.33 1.56 -1.20 -4.39 117.12 107.14 2rmj n MET 923 Ca -0.14 1.48 -0.05 0.00 -0.27 0.00 0.00 57.70 58.72 2rmj n MET 923 Cb 0.50 -2.31 -0.02 0.00 2.15 0.00 0.00 33.22 33.55 2rmj n MET 923 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2rmj s SER 924 N -5.08 -0.23 0.00 6.12 0.01 -1.20 -4.81 113.70 108.51 2rmj s SER 924 Ca -0.13 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.01 2rmj s SER 924 Cb 0.28 0.36 0.31 0.00 0.21 0.00 0.00 66.02 67.18 2rmj s SER 924 CO 0.76 -0.63 0.78 1.17 0.41 0.00 0.00 173.24 175.73