#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7b s VAL 2 N 0.00 4.60 0.24 1.61 0.11 -1.26 -3.29 120.40 122.40 1o7b s VAL 2 Ca 0.00 1.86 0.07 0.00 -2.93 0.00 0.00 61.98 60.98 1o7b s VAL 2 Cb 0.00 -4.19 -0.05 0.00 -1.53 0.00 0.00 36.38 30.60 1o7b s VAL 2 CO 0.00 0.13 -0.09 -0.72 -3.33 0.00 0.00 175.10 171.09 1o7b s TYR 3 N 1.15 1.77 -0.12 1.54 1.13 0.30 -4.94 117.35 118.18 1o7b s TYR 3 Ca 0.54 -0.68 -0.07 0.00 -1.41 0.00 0.00 57.07 55.46 1o7b s TYR 3 Cb -0.23 -0.93 -0.04 0.00 -1.10 0.00 0.00 41.96 39.65 1o7b s TYR 3 CO 0.27 0.27 0.13 -1.58 -2.51 0.00 0.00 175.55 172.13 1o7b s HIS 4 N -3.06 3.58 -0.02 -3.49 5.65 -1.26 0.13 115.29 116.82 1o7b s HIS 4 Ca 0.26 0.51 -0.09 0.00 0.25 0.00 0.00 55.06 55.99 1o7b s HIS 4 Cb 0.02 -1.94 0.01 0.00 -1.18 0.00 0.00 32.58 29.50 1o7b s HIS 4 CO 0.09 0.72 0.19 1.03 -0.65 0.00 0.00 174.74 176.12 1o7b s ARG 5 N -1.00 0.46 0.00 2.88 1.81 -0.13 -4.90 118.95 118.06 1o7b s ARG 5 Ca 0.15 -0.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.97 1o7b s ARG 5 Cb -0.12 0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.58 1o7b s ARG 5 CO 0.04 -0.11 0.00 -0.85 -0.68 0.00 0.00 175.30 173.70 1o7b n GLU 6 N 1.79 1.47 -2.52 3.54 0.00 -1.26 -1.15 120.64 122.50 1o7b n GLU 6 Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.68 1o7b n GLU 6 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.01 1o7b n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1o7b s ALA 7 N -2.00 3.36 -0.37 -1.84 0.00 -0.86 -4.90 121.76 115.14 1o7b s ALA 7 Ca 0.00 -0.48 0.22 0.00 0.00 0.00 0.00 51.96 51.69 1o7b s ALA 7 Cb 0.00 -2.64 1.04 0.00 0.00 0.00 0.00 23.12 21.51 1o7b s ALA 7 CO 0.00 -0.44 1.67 0.54 0.00 0.00 0.00 175.76 177.52 1o7b n ARG 8 N -2.35 0.16 -0.09 0.00 1.74 -1.26 -2.10 116.66 112.76 1o7b n ARG 8 Ca 0.02 0.52 -0.08 0.00 -0.77 0.00 0.00 57.85 57.54 1o7b n ARG 8 Cb 0.55 -1.90 -0.15 0.00 -1.02 0.00 0.00 32.46 29.95 1o7b n ARG 8 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1o7b n SER 9 N -2.22 0.38 0.00 0.55 3.41 -1.26 -5.09 113.62 109.39 1o7b n SER 9 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1o7b n SER 9 Cb 0.13 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1o7b n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o7b n GLY 10 N 1.82 0.93 3.84 5.00 0.00 -0.89 -5.15 105.19 110.74 1o7b n GLY 10 Ca -0.29 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1o7b n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o7b s LYS 11 N -2.00 4.02 -0.87 1.61 2.20 -1.26 -2.03 119.74 121.40 1o7b s LYS 11 Ca 0.00 0.94 -0.04 0.00 -0.36 0.00 0.00 55.97 56.51 1o7b s LYS 11 Cb 0.00 -2.19 -0.05 0.00 -1.51 0.00 0.00 37.83 34.08 1o7b s LYS 11 CO 0.00 -0.16 0.77 0.66 -0.36 0.00 0.00 175.35 176.26 1o7b n TYR 12 N -1.21 -2.21 -1.13 4.03 4.02 -1.19 -4.92 117.16 114.55 1o7b n TYR 12 Ca 0.06 0.78 0.00 0.00 -0.01 0.00 0.00 57.90 58.73 1o7b n TYR 12 Cb 0.54 -3.89 0.00 0.00 -0.02 0.00 0.00 39.34 35.97 1o7b n TYR 12 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1o7b n LYS 13 N -2.80 0.00 -3.66 -0.72 2.85 -0.86 -4.59 118.16 108.37 1o7b n LYS 13 Ca -0.05 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.94 1o7b n LYS 13 Cb 0.59 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.94 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1o7b s LEU 14 N 0.00 4.20 0.00 -5.58 1.43 -0.19 -4.75 118.68 113.79 1o7b s LEU 14 Ca 0.00 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1o7b s LEU 14 Cb 0.00 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1o7b s LEU 14 CO 0.00 -0.08 0.00 0.35 0.23 0.00 0.00 176.35 176.85 1o7b n THR 15 N -0.88 0.00 -0.06 5.49 -2.24 -1.26 -1.78 114.28 113.55 1o7b n THR 15 Ca -0.05 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.69 1o7b n THR 15 Cb 0.54 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 1o7b n THR 15 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o7b h TYR 16 N 0.03 0.00 -0.04 4.78 3.20 -1.86 -2.51 116.97 120.57 1o7b h TYR 16 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1o7b h TYR 16 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1o7b h TYR 16 CO 0.00 0.23 -0.11 0.00 -1.64 0.00 0.00 178.16 176.63 1o7b h ALA 17 N -0.84 1.73 0.09 1.82 0.00 -1.99 -0.97 119.26 119.11 1o7b h ALA 17 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1o7b h ALA 17 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1o7b h ALA 17 CO -0.01 0.20 -0.04 0.93 0.00 0.00 0.00 179.25 180.32 1o7b h GLU 18 N 0.06 -0.12 -0.45 0.00 5.08 -1.97 -2.48 114.58 114.70 1o7b h GLU 18 Ca 0.01 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1o7b h GLU 18 Cb 0.24 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 1o7b h GLU 18 CO 0.02 0.40 0.10 0.00 -1.00 0.00 0.00 179.01 178.53 1o7b h ALA 19 N -0.03 0.50 -0.87 3.43 0.00 -1.24 0.16 119.26 121.21 1o7b h ALA 19 Ca -0.01 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1o7b h ALA 19 Cb 0.58 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1o7b h ALA 19 CO 0.02 -0.30 0.55 -0.22 0.00 0.00 0.00 179.25 179.31 1o7b h LYS 20 N 0.24 1.01 -0.30 0.00 3.64 -1.25 -2.38 116.57 117.54 1o7b h LYS 20 Ca 0.22 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1o7b h LYS 20 Cb 0.26 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1o7b h LYS 20 CO -0.27 0.67 -0.15 0.00 -2.27 0.00 0.00 179.45 177.43 1o7b h ALA 21 N 1.38 0.42 -0.95 5.00 0.00 -0.79 -0.49 119.26 123.83 1o7b h ALA 21 Ca 0.36 -0.33 0.20 0.00 0.00 0.00 0.00 54.91 55.14 1o7b h ALA 21 Cb 0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 1o7b h ALA 21 CO -0.14 0.32 0.61 0.28 0.00 0.00 0.00 179.25 180.32 1o7b h VAL 22 N 0.38 0.68 0.05 0.00 2.07 -0.24 0.19 116.25 119.39 1o7b h VAL 22 Ca 0.07 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1o7b h VAL 22 Cb 0.68 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1o7b h VAL 22 CO 0.05 0.10 -0.03 0.00 0.02 0.00 0.00 177.57 177.70 1o7b h GLU 24 N -0.37 0.00 0.08 0.00 5.08 0.16 1.13 114.58 120.66 1o7b h GLU 24 Ca -0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 1o7b h GLU 24 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1o7b h GLU 24 CO 0.01 0.00 -1.68 0.35 -1.00 0.00 0.00 179.01 176.69 1o7b h PHE 25 N 0.00 0.31 -0.33 4.33 3.57 -0.71 -3.33 116.94 120.79 1o7b h PHE 25 Ca 0.55 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.83 1o7b h PHE 25 Cb 2.68 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 41.40 1o7b h PHE 25 CO 0.00 1.36 0.00 0.39 -2.23 0.00 0.00 178.31 177.83 1o7b n GLU 26 N -3.33 3.25 -2.33 1.11 1.02 0.37 -4.90 120.64 115.82 1o7b n GLU 26 Ca -0.20 -1.81 -0.01 0.00 -0.02 0.00 0.00 57.16 55.12 1o7b n GLU 26 Cb 1.04 -1.94 0.01 0.00 -0.02 0.00 0.00 31.44 30.53 1o7b n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o7b n GLY 27 N 0.36 -0.69 0.00 0.62 0.00 -0.08 -4.99 105.19 100.41 1o7b n GLY 27 Ca 0.16 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1o7b n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o7b n GLY 28 N -1.40 -0.59 3.19 -0.02 0.00 -0.64 -4.46 105.19 101.28 1o7b n GLY 28 Ca -0.01 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 1o7b n GLY 28 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1o7b s HIS 29 N -2.00 0.95 -0.15 1.61 3.76 -0.76 0.33 115.29 119.02 1o7b s HIS 29 Ca 0.00 -1.26 -0.29 0.00 -0.15 0.00 0.00 55.06 53.36 1o7b s HIS 29 Cb 0.00 -0.47 -0.05 0.00 1.11 0.00 0.00 32.58 33.17 1o7b s HIS 29 CO 0.00 -0.60 1.85 -0.51 -0.85 0.00 0.00 174.74 174.63 1o7b s LEU 30 N -3.09 3.93 0.00 0.89 1.43 -1.26 -1.08 118.68 119.51 1o7b s LEU 30 Ca 0.30 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1o7b s LEU 30 Cb 0.07 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1o7b s LEU 30 CO 0.06 -1.36 0.00 0.00 0.23 0.00 0.00 176.35 175.28 1o7b n ALA 31 N 8.95 0.00 -2.30 4.21 0.00 -0.83 -4.43 120.51 126.12 1o7b n ALA 31 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.50 1o7b n ALA 31 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 1o7b n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1o7b s THR 32 N -0.55 0.47 0.09 0.00 -4.23 -1.26 -1.86 115.64 108.30 1o7b s THR 32 Ca 0.00 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.23 1o7b s THR 32 Cb 0.00 -2.61 -0.14 0.00 1.34 0.00 0.00 72.50 71.09 1o7b s THR 32 CO 0.00 -0.01 1.66 0.22 -0.54 0.00 0.00 174.62 175.95 1o7b h TYR 33 N 2.43 -0.57 -0.60 3.99 3.20 -1.96 -0.40 116.97 123.06 1o7b h TYR 33 Ca -0.38 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.59 1o7b h TYR 33 Cb 1.25 0.21 -0.08 0.00 1.54 0.00 0.00 36.73 39.65 1o7b h TYR 33 CO 0.44 -0.33 0.20 -0.22 -1.64 0.00 0.00 178.16 176.60 1o7b h LYS 34 N -0.53 0.35 -0.39 1.82 3.64 -2.00 0.12 116.57 119.58 1o7b h LYS 34 Ca -0.03 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1o7b h LYS 34 Cb 0.45 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1o7b h LYS 34 CO 0.01 0.23 0.23 1.96 -2.27 0.00 0.00 179.45 179.61 1o7b h GLN 35 N 0.36 0.53 -0.26 1.90 4.20 -1.90 -0.69 115.11 119.25 1o7b h GLN 35 Ca 0.31 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 1o7b h GLN 35 Cb 0.40 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1o7b h GLN 35 CO -0.33 0.38 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.07 1o7b h LEU 36 N 0.54 0.39 0.64 1.46 -0.00 0.96 -2.30 115.31 116.99 1o7b h LEU 36 Ca 0.14 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1o7b h LEU 36 Cb -0.00 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 40.56 1o7b h LEU 36 CO -0.03 0.51 -0.31 -0.08 -0.00 0.00 0.00 178.44 178.54 1o7b h GLU 37 N 0.40 -0.82 -0.86 1.13 4.81 -0.31 -1.48 114.58 117.45 1o7b h GLU 37 Ca 0.08 0.06 0.24 0.00 -0.13 0.00 0.00 59.36 59.61 1o7b h GLU 37 Cb 0.37 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1o7b h GLU 37 CO 0.02 -0.50 0.61 0.00 -0.73 0.00 0.00 179.01 178.40 1o7b h ALA 38 N -0.81 2.70 0.00 2.92 0.00 -1.36 0.99 119.26 123.71 1o7b h ALA 38 Ca -0.09 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1o7b h ALA 38 Cb 0.70 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1o7b h ALA 38 CO 0.14 -0.95 -0.64 0.00 0.00 0.00 0.00 179.25 177.80 1o7b h ALA 39 N 1.58 0.92 -0.04 0.00 0.00 -1.05 -3.10 119.26 117.58 1o7b h ALA 39 Ca 0.41 -0.58 -0.22 0.00 0.00 0.00 0.00 54.91 54.53 1o7b h ALA 39 Cb 1.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1o7b h ALA 39 CO -0.03 0.80 -0.88 -0.09 0.00 0.00 0.00 179.25 179.04 1o7b h ARG 40 N 0.00 0.48 -0.94 0.00 2.43 0.20 -1.34 114.38 115.21 1o7b h ARG 40 Ca -0.01 -0.47 0.24 0.00 -0.81 0.00 0.00 59.98 58.93 1o7b h ARG 40 Cb 1.15 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.75 1o7b h ARG 40 CO 0.08 1.11 0.64 0.87 -1.51 0.00 0.00 179.97 181.16 1o7b h LYS 41 N 0.30 0.26 0.06 0.20 1.57 -1.08 0.95 116.57 118.83 1o7b h LYS 41 Ca -0.07 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.41 1o7b h LYS 41 Cb 1.50 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.73 1o7b h LYS 41 CO 0.16 0.17 -1.53 -0.84 -0.57 0.00 0.00 179.45 176.84 1o7b h ILE 42 N 0.27 1.11 0.00 1.86 3.07 -1.64 -3.48 117.51 118.70 1o7b h ILE 42 Ca 0.49 -2.84 0.00 0.00 1.55 0.00 0.00 64.86 64.06 1o7b h ILE 42 Cb 1.45 2.65 0.00 0.00 -0.27 0.00 0.00 36.82 40.64 1o7b h ILE 42 CO -0.14 0.75 0.00 0.61 -1.05 0.00 0.00 178.15 178.32 1o7b n GLY 43 N 1.61 0.72 3.52 0.16 0.00 0.33 -5.06 105.19 106.46 1o7b n GLY 43 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1o7b n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1o7b s PHE 44 N -0.33 3.12 -0.22 1.61 5.36 -0.52 -4.97 117.98 122.02 1o7b s PHE 44 Ca 0.00 -1.82 -0.11 0.00 -0.96 0.00 0.00 56.93 54.04 1o7b s PHE 44 Cb 0.00 -4.53 -0.05 0.00 -0.34 0.00 0.00 43.02 38.11 1o7b s PHE 44 CO 0.00 -1.61 0.19 -1.58 -1.46 0.00 0.00 175.22 170.76 1o7b s HIS 45 N 2.95 3.35 -0.30 10.12 5.65 -1.26 -4.73 115.29 131.07 1o7b s HIS 45 Ca 0.47 0.31 -0.14 0.00 0.25 0.00 0.00 55.06 55.95 1o7b s HIS 45 Cb 0.00 -2.28 0.15 0.00 -1.18 0.00 0.00 32.58 29.27 1o7b s HIS 45 CO 0.03 0.11 0.88 0.54 -0.65 0.00 0.00 174.74 175.65 1o7b s VAL 46 N 0.91 -0.53 -1.14 0.89 0.11 -1.11 -5.00 120.40 114.53 1o7b s VAL 46 Ca 0.09 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1o7b s VAL 46 Cb -0.13 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 1o7b s VAL 46 CO 0.03 0.00 2.89 0.00 -3.33 0.00 0.00 175.10 174.70 1o7b s ALA 48 N 0.60 0.22 0.04 0.00 0.00 -1.26 -5.01 121.76 116.35 1o7b s ALA 48 Ca 0.64 -1.65 -0.32 0.00 0.00 0.00 0.00 51.96 50.64 1o7b s ALA 48 Cb 0.23 -1.93 -0.16 0.00 0.00 0.00 0.00 23.12 21.26 1o7b s ALA 48 CO -0.08 -2.08 0.80 0.00 0.00 0.00 0.00 175.76 174.40 1o7b n ALA 49 N 3.31 -3.06 -3.51 0.00 0.00 -1.25 -4.61 120.51 111.40 1o7b n ALA 49 Ca 0.21 0.48 -0.34 0.00 0.00 0.00 0.00 53.44 53.80 1o7b n ALA 49 Cb 0.48 -1.48 -0.15 0.00 0.00 0.00 0.00 19.45 18.30 1o7b n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1o7b s GLY 50 N -0.22 1.51 0.08 0.00 0.00 -0.27 0.26 107.32 108.69 1o7b s GLY 50 Ca 0.72 -1.08 -0.31 0.00 0.00 0.00 0.00 44.72 44.06 1o7b s GLY 50 CO 0.49 0.14 1.91 -0.98 0.00 0.00 0.00 173.10 174.66 1o7b s TRP 51 N 0.99 1.69 0.29 1.90 0.52 -1.06 -4.06 118.94 119.22 1o7b s TRP 51 Ca -0.02 -0.27 0.02 0.00 0.02 0.00 0.00 56.10 55.86 1o7b s TRP 51 Cb -0.15 -4.23 -0.02 0.00 -1.15 0.00 0.00 33.47 27.92 1o7b s TRP 51 CO -0.02 -5.29 0.29 0.00 0.02 0.00 0.00 176.95 171.95 1o7b s MET 52 N 3.60 1.63 0.83 4.98 0.23 -0.17 -3.74 119.30 126.65 1o7b s MET 52 Ca 0.85 -1.82 0.00 0.00 -1.03 0.00 0.00 55.69 53.69 1o7b s MET 52 Cb -0.45 0.34 0.00 0.00 -1.53 0.00 0.00 34.83 33.20 1o7b s MET 52 CO 0.39 -0.61 0.00 0.00 -2.03 0.00 0.00 175.02 172.77 1o7b n ALA 53 N -0.50 0.00 0.27 3.16 0.00 -0.78 0.61 120.51 123.26 1o7b n ALA 53 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.58 1o7b n ALA 53 Cb 0.63 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.50 1o7b n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1o7b h LYS 54 N 0.00 0.00 0.00 0.00 1.57 -1.98 -3.37 116.57 112.79 1o7b h LYS 54 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1o7b h LYS 54 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1o7b h LYS 54 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1o7b n GLY 55 N -1.41 0.00 3.72 3.86 0.00 -0.49 -5.07 105.19 105.81 1o7b n GLY 55 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1o7b n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1o7b s ARG 56 N 0.00 4.52 0.01 1.61 3.52 0.20 -4.77 118.95 124.04 1o7b s ARG 56 Ca 0.00 1.16 0.05 0.00 -0.13 0.00 0.00 55.73 56.81 1o7b s ARG 56 Cb 0.00 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1o7b s ARG 56 CO 0.00 0.11 -0.12 0.14 -0.81 0.00 0.00 175.30 174.62 1o7b s VAL 57 N 0.54 3.28 -0.06 7.11 -7.23 -1.26 -1.00 120.40 121.78 1o7b s VAL 57 Ca 0.43 -0.91 -0.31 0.00 -1.81 0.00 0.00 61.98 59.38 1o7b s VAL 57 Cb -0.20 -2.40 0.11 0.00 0.56 0.00 0.00 36.38 34.45 1o7b s VAL 57 CO 0.24 0.40 1.06 -0.83 -0.31 0.00 0.00 175.10 175.66 1o7b s GLY 58 N -1.35 -0.37 -0.26 2.32 0.00 -1.26 -4.05 107.32 102.36 1o7b s GLY 58 Ca 0.16 1.10 -0.02 0.00 0.00 0.00 0.00 44.72 45.95 1o7b s GLY 58 CO 0.06 0.35 0.28 -2.52 0.00 0.00 0.00 173.10 171.27 1o7b s TYR 59 N -2.79 -0.45 -0.26 1.90 1.13 -0.50 -1.11 117.35 115.26 1o7b s TYR 59 Ca 0.09 0.09 -0.29 0.00 -1.41 0.00 0.00 57.07 55.55 1o7b s TYR 59 Cb -0.00 -0.36 -0.02 0.00 -1.10 0.00 0.00 41.96 40.47 1o7b s TYR 59 CO -0.05 -0.79 1.70 -1.25 -2.51 0.00 0.00 175.55 172.64 1o7b s PRO 60 N 2.38 3.62 -0.49 -3.49 0.04 -1.26 -1.95 135.00 133.85 1o7b s PRO 60 Ca 0.09 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 62.65 1o7b s PRO 60 Cb -0.15 -4.10 0.13 0.00 0.04 0.00 0.00 34.50 30.41 1o7b s PRO 60 CO -0.24 -1.51 0.34 0.42 0.04 0.00 0.00 177.00 176.05 1o7b s ILE 61 N 5.86 4.02 0.05 0.56 -1.09 -0.94 -2.76 121.20 126.89 1o7b s ILE 61 Ca 0.75 -1.99 0.09 0.00 -2.23 0.00 0.00 60.65 57.27 1o7b s ILE 61 Cb -0.24 -3.66 -0.21 0.00 -1.58 0.00 0.00 42.46 36.77 1o7b s ILE 61 CO 0.31 -0.78 1.08 0.58 -1.23 0.00 0.00 174.94 174.90 1o7b h VAL 62 N 6.05 1.38 -3.61 2.92 2.07 -1.90 -2.53 116.25 120.63 1o7b h VAL 62 Ca -0.16 -3.12 -0.68 0.00 0.82 0.00 0.00 66.70 63.56 1o7b h VAL 62 Cb 1.05 2.68 -0.37 0.00 -1.52 0.00 0.00 31.29 33.13 1o7b h VAL 62 CO 0.81 0.79 -0.65 -0.75 0.02 0.00 0.00 177.57 177.78 1o7b s LYS 63 N -2.69 1.76 0.75 1.57 2.47 -1.26 -4.92 119.74 117.43 1o7b s LYS 63 Ca -0.01 -1.81 -0.14 0.00 -1.56 0.00 0.00 55.97 52.45 1o7b s LYS 63 Cb 0.09 -3.36 0.05 0.00 -1.46 0.00 0.00 37.83 33.15 1o7b s LYS 63 CO 0.82 -0.97 1.18 -1.25 0.16 0.00 0.00 175.35 175.29 1o7b s PRO 64 N 1.02 2.08 -0.05 4.03 0.04 -1.26 -4.57 135.00 136.30 1o7b s PRO 64 Ca 0.08 1.66 -0.20 0.00 0.04 0.00 0.00 61.00 62.59 1o7b s PRO 64 Cb -0.21 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1o7b s PRO 64 CO -0.06 -1.86 0.88 0.41 0.04 0.00 0.00 177.00 176.42 1o7b n GLY 65 N 0.18 0.23 3.73 0.56 0.00 -1.26 -4.72 105.19 103.91 1o7b n GLY 65 Ca 0.13 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1o7b n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1o7b s PRO 66 N -2.00 4.39 -1.44 1.61 0.04 -1.26 -1.00 135.00 135.34 1o7b s PRO 66 Ca 0.21 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1o7b s PRO 66 Cb -0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1o7b s PRO 66 CO -0.01 -0.27 0.00 -1.71 0.04 0.00 0.00 177.00 175.04 1o7b n ASN 67 N 2.98 -4.77 0.00 6.66 4.05 -1.26 -4.66 115.26 118.26 1o7b n ASN 67 Ca 0.07 0.14 0.00 0.00 0.45 0.00 0.00 54.58 55.24 1o7b n ASN 67 Cb 0.43 -4.04 0.00 0.00 1.23 0.00 0.00 39.78 37.40 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1o7b s GLY 69 N -2.48 1.40 0.00 0.00 0.00 -0.17 -4.79 107.32 101.27 1o7b s GLY 69 Ca 0.00 0.83 0.29 0.00 0.00 0.00 0.00 44.72 45.85 1o7b s GLY 69 CO 0.00 3.09 2.02 0.33 0.00 0.00 0.00 173.10 178.54 1o7b n PHE 70 N 7.69 0.00 0.00 1.90 7.35 -1.26 -4.38 117.46 128.76 1o7b n PHE 70 Ca 0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 1o7b n PHE 70 Cb 0.43 -0.28 0.00 0.00 0.35 0.00 0.00 39.48 39.98 1o7b n PHE 70 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1o7b n GLY 71 N 1.20 2.98 3.95 7.13 0.00 -1.26 -5.10 105.19 114.10 1o7b n GLY 71 Ca 0.14 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 1o7b n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o7b s LYS 72 N 0.00 2.30 -0.16 1.61 1.02 -1.26 -4.97 119.74 118.28 1o7b s LYS 72 Ca 0.00 -0.52 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 1o7b s LYS 72 Cb 0.00 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 1o7b s LYS 72 CO 0.00 -1.04 -0.12 0.95 -0.92 0.00 0.00 175.35 174.22 1o7b s THR 73 N -3.04 2.91 0.00 2.17 -4.23 -1.26 -4.86 115.64 107.33 1o7b s THR 73 Ca 0.59 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 1o7b s THR 73 Cb -0.10 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1o7b s THR 73 CO 0.42 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.61 1o7b n GLY 74 N 4.09 2.28 3.68 3.99 0.00 -0.95 -4.97 105.19 113.31 1o7b n GLY 74 Ca -0.19 -1.72 -0.48 0.00 0.00 0.00 0.00 46.02 43.64 1o7b n GLY 74 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1o7b n ILE 75 N -1.86 0.54 -3.15 -0.61 5.41 -1.26 -2.22 119.36 116.22 1o7b n ILE 75 Ca 0.00 -0.10 -0.45 0.00 1.00 0.00 0.00 62.75 63.20 1o7b n ILE 75 Cb 0.00 -1.88 -0.02 0.00 -0.71 0.00 0.00 39.64 37.03 1o7b n ILE 75 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1o7b s ILE 76 N 3.82 5.32 -0.26 1.39 1.01 -0.82 -4.83 121.20 126.84 1o7b s ILE 76 Ca 0.91 -2.39 0.03 0.00 0.00 0.00 0.00 60.65 59.20 1o7b s ILE 76 Cb -0.67 -4.65 0.06 0.00 0.01 0.00 0.00 42.46 37.21 1o7b s ILE 76 CO 0.50 -1.29 -0.09 -0.62 0.00 0.00 0.00 174.94 173.44 1o7b s ASP 77 N 2.57 4.37 0.00 3.58 -1.08 -1.26 -1.41 116.67 123.44 1o7b s ASP 77 Ca 0.28 -1.42 0.29 0.00 -0.52 0.00 0.00 52.55 51.19 1o7b s ASP 77 Cb -0.07 -1.49 1.44 0.00 -1.46 0.00 0.00 42.92 41.33 1o7b s ASP 77 CO -0.08 -0.21 2.00 0.00 0.52 0.00 0.00 175.17 177.40 1o7b n TYR 78 N 4.46 0.00 0.00 -5.34 4.19 -1.26 -5.02 117.16 114.20 1o7b n TYR 78 Ca -0.12 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.09 1o7b n TYR 78 Cb 0.42 -0.32 0.00 0.00 0.49 0.00 0.00 39.34 39.93 1o7b n TYR 78 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1o7b n GLY 79 N 1.24 -0.70 3.53 2.98 0.00 -1.26 -4.92 105.19 106.05 1o7b n GLY 79 Ca 0.13 -1.63 -0.52 0.00 0.00 0.00 0.00 46.02 44.00 1o7b n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1o7b n ILE 80 N -0.42 0.77 -0.97 -0.61 2.08 -1.26 -4.80 119.36 114.15 1o7b n ILE 80 Ca 0.00 -0.19 0.03 0.00 0.56 0.00 0.00 62.75 63.14 1o7b n ILE 80 Cb 0.00 -0.45 0.36 0.00 -0.75 0.00 0.00 39.64 38.80 1o7b n ILE 80 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1o7b n ARG 81 N 1.61 4.37 -1.38 0.38 5.12 -1.26 -4.90 116.66 120.60 1o7b n ARG 81 Ca 0.17 -3.13 -0.14 0.00 -1.93 0.00 0.00 57.85 52.83 1o7b n ARG 81 Cb 0.19 -2.23 -0.06 0.00 -1.16 0.00 0.00 32.46 29.21 1o7b n ARG 81 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1o7b n LEU 82 N 0.27 -0.96 -3.19 0.55 -0.00 -1.26 -4.85 117.00 107.56 1o7b n LEU 82 Ca 0.32 0.34 0.01 0.00 -0.00 0.00 0.00 56.01 56.68 1o7b n LEU 82 Cb 1.25 -2.13 -0.01 0.00 -0.00 0.00 0.00 43.42 42.52 1o7b n LEU 82 CO 0.35 -0.76 0.06 0.21 -0.00 0.00 0.00 177.39 177.26 1o7b s ASN 83 N -2.18 -1.21 0.00 1.96 2.47 -1.26 -5.01 114.94 109.70 1o7b s ASN 83 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 52.86 53.21 1o7b s ASN 83 Cb 0.00 1.83 0.00 0.00 -1.45 0.00 0.00 41.25 41.63 1o7b s ASN 83 CO 0.00 -0.29 1.30 -2.11 -3.72 0.00 0.00 177.10 172.28 1o7b n ARG 84 N 5.26 0.94 -0.42 0.43 1.85 -1.26 -3.67 116.66 119.78 1o7b n ARG 84 Ca 0.05 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.99 1o7b n ARG 84 Cb 0.53 -1.03 0.25 0.00 -1.05 0.00 0.00 32.46 31.17 1o7b n ARG 84 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1o7b n SER 85 N 0.92 3.81 -4.31 2.89 2.88 -1.26 -3.02 113.62 115.53 1o7b n SER 85 Ca 0.00 -2.98 -0.29 0.00 -1.33 0.00 0.00 58.87 54.27 1o7b n SER 85 Cb 0.47 -0.53 0.18 0.00 -0.75 0.00 0.00 64.21 63.58 1o7b n SER 85 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1o7b s GLU 86 N -2.75 0.26 -0.60 -1.46 0.41 -1.24 -4.97 118.70 108.34 1o7b s GLU 86 Ca 0.41 -0.01 -0.02 0.00 -0.41 0.00 0.00 54.97 54.94 1o7b s GLU 86 Cb 0.33 -1.76 0.16 0.00 -1.78 0.00 0.00 34.13 31.07 1o7b s GLU 86 CO 0.09 -2.74 0.41 1.03 -0.49 0.00 0.00 175.26 173.56 1o7b s ARG 87 N -5.48 2.48 0.00 1.61 3.00 -1.25 -4.10 118.95 115.21 1o7b s ARG 87 Ca 0.69 -2.50 0.00 0.00 0.00 0.00 0.00 55.73 53.92 1o7b s ARG 87 Cb -0.10 -3.69 0.00 0.00 0.00 0.00 0.00 34.95 31.16 1o7b s ARG 87 CO 0.54 -1.16 0.00 0.91 0.00 0.00 0.00 175.30 175.59 1o7b n TRP 88 N 3.51 0.00 0.00 -0.53 5.03 -0.73 -3.67 117.44 121.05 1o7b n TRP 88 Ca 0.07 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.60 1o7b n TRP 88 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.66 1o7b n TRP 88 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1o7b n ASP 89 N 0.00 0.00 -3.45 -0.99 9.92 0.14 -1.02 116.55 121.15 1o7b n ASP 89 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 1o7b n ASP 89 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1o7b n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o7b s ALA 90 N -2.00 -2.45 -1.32 2.24 0.00 -0.30 -2.56 121.76 115.36 1o7b s ALA 90 Ca 0.00 2.10 -0.13 0.00 0.00 0.00 0.00 51.96 53.93 1o7b s ALA 90 Cb 0.00 -1.99 0.12 0.00 0.00 0.00 0.00 23.12 21.25 1o7b s ALA 90 CO 0.00 -1.02 1.87 0.66 0.00 0.00 0.00 175.76 177.27 1o7b n TYR 91 N 5.25 3.72 -0.90 0.00 4.01 -1.25 -0.96 117.16 127.03 1o7b n TYR 91 Ca -0.09 -2.95 -0.34 0.00 -0.16 0.00 0.00 57.90 54.35 1o7b n TYR 91 Cb 0.51 -2.26 0.09 0.00 -0.31 0.00 0.00 39.34 37.38 1o7b n TYR 91 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1o7b s TYR 93 N -2.24 -0.87 -0.30 0.00 6.14 -0.24 0.11 117.35 119.95 1o7b s TYR 93 Ca 0.54 1.77 -0.15 0.00 0.64 0.00 0.00 57.07 59.87 1o7b s TYR 93 Cb -0.22 0.47 0.16 0.00 0.42 0.00 0.00 41.96 42.80 1o7b s TYR 93 CO 0.70 -0.45 0.99 -0.80 0.64 0.00 0.00 175.55 176.64 1o7b s ASN 94 N 1.51 -0.56 0.00 4.32 -0.87 -1.21 -1.84 114.94 116.29 1o7b s ASN 94 Ca -0.10 0.78 0.12 0.00 -1.57 0.00 0.00 52.86 52.09 1o7b s ASN 94 Cb -0.06 1.62 0.64 0.00 -0.02 0.00 0.00 41.25 43.42 1o7b s ASN 94 CO -0.16 -0.11 1.21 -0.81 -2.57 0.00 0.00 177.10 174.66 1o7b n PRO 95 N 4.88 0.26 -0.00 -0.60 -0.04 -1.26 -1.76 135.00 136.47 1o7b n PRO 95 Ca -0.10 0.10 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1o7b n PRO 95 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 1o7b n PRO 95 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1o7b n HIS 96 N -1.16 0.00 -1.54 0.54 -0.00 -1.26 -4.75 115.22 107.06 1o7b n HIS 96 Ca 0.07 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.92 1o7b n HIS 96 Cb 0.07 -0.05 -0.05 0.00 -0.12 0.00 0.00 29.99 29.84 1o7b n HIS 96 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1o7b n ALA 97 N -1.36 6.91 1.86 1.57 0.00 -0.73 -5.15 120.51 123.62 1o7b n ALA 97 Ca 0.00 -3.36 0.15 0.00 0.00 0.00 0.00 53.44 50.23 1o7b n ALA 97 Cb 0.08 -2.77 0.88 0.00 0.00 0.00 0.00 19.45 17.65 1o7b n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67