#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 4.91 0.30 1.61 0.11 -1.26 -2.31 120.40 123.76 1o7b s VAL 2 Ca 0.00 1.68 0.07 0.00 -2.93 0.00 0.00 61.98 60.80 1o7b s VAL 2 Cb 0.00 -4.16 -0.06 0.00 -1.53 0.00 0.00 36.38 30.63 1o7b s VAL 2 CO 0.00 0.09 -0.04 -0.72 -3.33 0.00 0.00 175.10 171.10 1o7b s TYR 3 N 1.71 2.04 0.07 1.54 1.13 0.26 -4.92 117.35 119.17 1o7b s TYR 3 Ca 0.41 -0.71 -0.10 0.00 -1.41 0.00 0.00 57.07 55.26 1o7b s TYR 3 Cb -0.17 -1.21 -0.06 0.00 -1.10 0.00 0.00 41.96 39.42 1o7b s TYR 3 CO 0.16 0.29 0.40 -3.38 -2.51 0.00 0.00 175.55 170.51 1o7b s HIS 4 N -2.98 3.60 -0.09 -3.49 -3.43 -1.26 0.20 115.29 107.84 1o7b s HIS 4 Ca 0.31 0.81 -0.08 0.00 -0.80 0.00 0.00 55.06 55.30 1o7b s HIS 4 Cb 0.05 -2.17 0.02 0.00 -1.43 0.00 0.00 32.58 29.05 1o7b s HIS 4 CO 0.13 0.53 0.23 1.03 -2.00 0.00 0.00 174.74 174.67 1o7b s ARG 5 N -1.82 0.26 0.00 -0.38 1.81 0.20 -4.82 118.95 114.20 1o7b s ARG 5 Ca 0.32 0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.67 1o7b s ARG 5 Cb -0.14 0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.46 1o7b s ARG 5 CO 0.17 -0.04 0.00 -0.85 -0.68 0.00 0.00 175.30 173.90 1o7b n GLU 6 N 3.08 1.72 -3.21 3.54 0.00 -1.26 -0.57 120.64 123.93 1o7b n GLU 6 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.74 1o7b n GLU 6 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.99 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 3.57 -0.19 -1.84 0.00 -0.78 -4.92 121.76 115.60 1o7b s ALA 7 Ca 0.00 -0.54 0.27 0.00 0.00 0.00 0.00 51.96 51.69 1o7b s ALA 7 Cb 0.00 -2.36 1.24 0.00 0.00 0.00 0.00 23.12 22.00 1o7b s ALA 7 CO 0.00 0.12 1.83 0.00 0.00 0.00 0.00 175.76 177.71 1o7b h ARG 8 N 1.38 0.00 0.00 0.00 3.08 -2.00 -1.95 114.38 114.90 1o7b h ARG 8 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1o7b h ARG 8 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1o7b h ARG 8 CO 0.65 0.00 -1.46 -1.13 -1.07 0.00 0.00 179.97 176.96 1o7b n SER 9 N -2.51 0.44 0.00 7.04 3.41 -1.26 -5.06 113.62 115.67 1o7b n SER 9 Ca 0.01 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1o7b n SER 9 Cb 0.20 1.34 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 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 1.33 1.72 3.70 5.00 0.00 -0.73 -5.13 105.19 111.08 1o7b n GLY 10 Ca -0.01 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 1o7b n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o7b n LYS 11 N -1.32 1.30 0.00 1.61 4.81 -1.26 -1.87 118.16 121.44 1o7b n LYS 11 Ca 0.00 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1o7b n LYS 11 Cb 0.00 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 32.61 1o7b n LYS 11 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1o7b n TYR 12 N -1.46 -0.40 -1.01 5.64 4.01 -1.25 -4.81 117.16 117.88 1o7b n TYR 12 Ca 0.13 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.87 1o7b n TYR 12 Cb 0.46 0.13 -0.00 0.00 -0.31 0.00 0.00 39.34 39.62 1o7b n TYR 12 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1o7b n LYS 13 N 0.00 -1.45 -3.58 -0.72 5.02 -1.20 -4.17 118.16 112.07 1o7b n LYS 13 Ca 0.00 0.38 -0.35 0.00 -2.02 0.00 0.00 58.31 56.32 1o7b n LYS 13 Cb 0.00 -4.48 -0.05 0.00 -0.02 0.00 0.00 35.03 30.48 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o7b s LEU 14 N -0.09 4.36 0.00 -0.35 1.43 -0.45 -4.76 118.68 118.82 1o7b s LEU 14 Ca 0.00 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1o7b s LEU 14 Cb 0.00 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1o7b s LEU 14 CO 0.00 0.19 0.00 0.35 0.23 0.00 0.00 176.35 177.12 1o7b n THR 15 N 0.99 0.00 -0.06 5.49 -2.24 -1.26 -2.19 114.28 115.00 1o7b n THR 15 Ca -0.09 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.64 1o7b n THR 15 Cb 0.52 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 67.84 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 0.00 0.00 0.00 4.78 3.20 -1.73 -2.46 116.97 120.76 1o7b h TYR 16 Ca 0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 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 0.32 -0.25 0.00 -1.64 0.00 0.00 178.16 176.59 1o7b h ALA 17 N -0.77 1.56 0.01 1.82 0.00 -1.98 -2.10 119.26 117.79 1o7b h ALA 17 Ca -0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1o7b h ALA 17 Cb 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1o7b h ALA 17 CO -0.02 0.31 -0.00 0.93 0.00 0.00 0.00 179.25 180.46 1o7b h GLU 18 N 0.00 -0.01 -0.61 0.00 5.08 -1.96 -2.41 114.58 114.67 1o7b h GLU 18 Ca -0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1o7b h GLU 18 Cb 0.44 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 1o7b h GLU 18 CO 0.03 0.74 0.24 0.00 -1.00 0.00 0.00 179.01 179.02 1o7b h ALA 19 N 0.19 0.80 -0.07 3.43 0.00 -1.32 0.45 119.26 122.73 1o7b h ALA 19 Ca -0.00 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1o7b h ALA 19 Cb 0.75 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1o7b h ALA 19 CO 0.00 -0.18 0.04 -0.22 0.00 0.00 0.00 179.25 178.89 1o7b h LYS 20 N 0.43 0.11 -0.42 0.00 3.64 -1.46 -2.41 116.57 116.45 1o7b h LYS 20 Ca 0.31 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1o7b h LYS 20 Cb 0.37 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1o7b h LYS 20 CO -0.30 0.19 0.21 0.00 -2.27 0.00 0.00 179.45 177.28 1o7b h ALA 21 N 0.91 0.54 -0.98 5.00 0.00 -0.86 0.14 119.26 124.01 1o7b h ALA 21 Ca 0.03 -0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.02 1o7b h ALA 21 Cb 0.12 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 1o7b h ALA 21 CO -0.00 0.09 0.61 0.28 0.00 0.00 0.00 179.25 180.23 1o7b h VAL 22 N 0.54 0.72 0.14 0.00 2.07 -0.02 0.62 116.25 120.32 1o7b h VAL 22 Ca 0.14 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1o7b h VAL 22 Cb 0.10 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1o7b h VAL 22 CO -0.02 0.12 -0.07 0.00 0.02 0.00 0.00 177.57 177.63 1o7b n GLU 24 N -3.56 0.00 0.07 0.00 1.02 0.42 -0.04 120.64 118.55 1o7b n GLU 24 Ca -0.02 0.31 -0.15 0.00 -0.02 0.00 0.00 57.16 57.28 1o7b n GLU 24 Cb 0.08 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 29.74 1o7b n GLU 24 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1o7b h PHE 25 N 0.00 0.38 0.00 -0.32 3.57 0.23 -3.40 116.94 117.40 1o7b h PHE 25 Ca 0.00 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1o7b h PHE 25 Cb 0.24 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1o7b h PHE 25 CO 0.00 1.30 -0.33 0.93 -2.23 0.00 0.00 178.31 177.98 1o7b h GLU 26 N 0.06 0.00 0.00 1.11 5.08 -0.49 -3.49 114.58 116.85 1o7b h GLU 26 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1o7b h GLU 26 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1o7b h GLU 26 CO 0.16 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.58 1o7b n GLY 27 N 1.68 -1.94 0.00 -3.84 0.00 -0.81 -5.14 105.19 95.13 1o7b n GLY 27 Ca -0.05 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 0.00 -0.79 3.47 -0.02 0.00 -1.22 -4.49 105.19 102.13 1o7b n GLY 28 Ca 0.00 -1.28 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 1o7b n GLY 28 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1o7b s HIS 29 N -2.92 1.10 -0.22 1.61 -3.43 0.00 -1.26 115.29 110.16 1o7b s HIS 29 Ca 0.00 -1.31 -0.28 0.00 -0.80 0.00 0.00 55.06 52.67 1o7b s HIS 29 Cb 0.00 -0.13 -0.04 0.00 -1.43 0.00 0.00 32.58 30.97 1o7b s HIS 29 CO 0.00 -1.10 1.97 -0.51 -2.00 0.00 0.00 174.74 173.10 1o7b s LEU 30 N -3.24 3.64 0.00 5.38 1.43 -1.26 -0.59 118.68 124.03 1o7b s LEU 30 Ca 0.31 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1o7b s LEU 30 Cb -0.00 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1o7b s LEU 30 CO 0.20 -1.68 0.00 0.00 0.23 0.00 0.00 176.35 175.10 1o7b n ALA 31 N 10.32 0.00 -2.47 4.21 0.00 -0.91 -4.30 120.51 127.37 1o7b n ALA 31 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.46 1o7b n ALA 31 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.62 1.71 0.11 0.00 -4.23 -1.26 -2.96 115.64 108.39 1o7b s THR 32 Ca 0.00 -2.11 -0.25 0.00 -1.18 0.00 0.00 61.69 58.15 1o7b s THR 32 Cb 0.00 -2.57 -0.08 0.00 1.34 0.00 0.00 72.50 71.19 1o7b s THR 32 CO 0.00 -0.22 1.67 0.22 -0.54 0.00 0.00 174.62 175.75 1o7b h TYR 33 N 2.17 -0.44 -0.28 3.99 3.20 -1.97 -0.73 116.97 122.92 1o7b h TYR 33 Ca -0.41 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.47 1o7b h TYR 33 Cb 1.24 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 1o7b h TYR 33 CO 0.69 -0.25 0.17 0.87 -1.64 0.00 0.00 178.16 178.00 1o7b h LYS 34 N -0.31 0.37 -0.72 1.82 1.57 -2.00 -2.19 116.57 115.13 1o7b h LYS 34 Ca 0.04 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 1o7b h LYS 34 Cb 0.35 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1o7b h LYS 34 CO -0.12 0.28 0.47 1.96 -0.57 0.00 0.00 179.45 181.47 1o7b h GLN 35 N 0.36 0.56 -0.56 3.15 4.20 -1.91 0.25 115.11 121.16 1o7b h GLN 35 Ca 0.10 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1o7b h GLN 35 Cb 0.00 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1o7b h GLN 35 CO -0.02 0.37 0.01 -0.07 -0.67 0.00 0.00 178.83 178.46 1o7b h LEU 36 N 0.58 0.95 0.18 1.46 -0.00 -0.52 -1.90 115.31 116.05 1o7b h LEU 36 Ca 0.33 -0.30 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1o7b h LEU 36 Cb 0.53 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 1o7b h LEU 36 CO -0.12 1.02 -0.08 -0.08 -0.00 0.00 0.00 178.44 179.18 1o7b h GLU 37 N 0.86 -0.23 -0.63 1.13 4.81 -0.69 0.43 114.58 120.25 1o7b h GLU 37 Ca 0.16 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.59 1o7b h GLU 37 Cb 0.52 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1o7b h GLU 37 CO 0.03 0.05 0.49 0.00 -0.73 0.00 0.00 179.01 178.85 1o7b h ALA 38 N 0.27 2.53 0.03 2.92 0.00 -0.96 0.74 119.26 124.79 1o7b h ALA 38 Ca -0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.56 1o7b h ALA 38 Cb 0.38 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1o7b h ALA 38 CO 0.04 -0.82 -1.72 0.00 0.00 0.00 0.00 179.25 176.75 1o7b h ALA 39 N 1.61 0.66 0.01 0.00 0.00 -0.97 -3.37 119.26 117.19 1o7b h ALA 39 Ca 0.30 -1.41 -0.24 0.00 0.00 0.00 0.00 54.91 53.56 1o7b h ALA 39 Cb 1.29 0.49 0.01 0.00 0.00 0.00 0.00 17.79 19.57 1o7b h ALA 39 CO -0.00 1.50 -0.99 -0.09 0.00 0.00 0.00 179.25 179.67 1o7b h ARG 40 N 0.02 0.48 -0.63 0.00 2.43 0.24 -2.09 114.38 114.83 1o7b h ARG 40 Ca -0.30 -0.53 0.18 0.00 -0.81 0.00 0.00 59.98 58.52 1o7b h ARG 40 Cb 2.01 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 31.69 1o7b h ARG 40 CO 0.09 1.17 0.46 1.57 -1.51 0.00 0.00 179.97 181.75 1o7b h LYS 41 N 0.27 0.00 0.00 0.20 2.10 0.20 0.25 116.57 119.58 1o7b h LYS 41 Ca -0.10 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.39 1o7b h LYS 41 Cb 1.63 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.94 1o7b h LYS 41 CO 0.18 0.00 -0.95 -0.84 -2.00 0.00 0.00 179.45 175.83 1o7b h ILE 42 N 0.00 0.94 0.00 0.07 -0.00 -1.72 -3.47 117.51 113.33 1o7b h ILE 42 Ca 0.30 -2.45 0.00 0.00 -0.00 0.00 0.00 64.86 62.71 1o7b h ILE 42 Cb 1.22 2.41 0.00 0.00 -0.00 0.00 0.00 36.82 40.45 1o7b h ILE 42 CO -0.00 0.54 0.00 0.61 -0.00 0.00 0.00 178.15 179.29 1o7b n GLY 43 N 1.32 0.41 3.52 0.16 0.00 0.87 -5.08 105.19 106.40 1o7b n GLY 43 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1o7b n GLY 43 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1o7b n PHE 44 N 0.00 0.48 -4.05 1.61 7.35 -0.79 -4.86 117.46 117.21 1o7b n PHE 44 Ca 0.00 0.05 -0.31 0.00 -0.76 0.00 0.00 57.45 56.43 1o7b n PHE 44 Cb 0.00 -1.46 -0.16 0.00 0.35 0.00 0.00 39.48 38.20 1o7b n PHE 44 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1o7b s HIS 45 N 6.02 2.43 -0.12 -5.13 5.65 -1.26 -4.00 115.29 118.88 1o7b s HIS 45 Ca 1.20 -1.44 -0.06 0.00 0.25 0.00 0.00 55.06 55.01 1o7b s HIS 45 Cb -0.67 -1.72 0.05 0.00 -1.18 0.00 0.00 32.58 29.07 1o7b s HIS 45 CO 0.41 -0.73 0.27 0.08 -0.65 0.00 0.00 174.74 174.12 1o7b s VAL 46 N 1.40 -0.11 -2.00 0.89 1.01 -1.17 -4.92 120.40 115.50 1o7b s VAL 46 Ca 0.04 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1o7b s VAL 46 Cb -0.13 -0.43 0.11 0.00 0.00 0.00 0.00 36.38 35.93 1o7b s VAL 46 CO -0.11 0.07 1.11 0.00 0.00 0.00 0.00 175.10 176.16 1o7b s ALA 48 N -2.00 3.70 -0.22 0.00 0.00 -1.26 -4.87 121.76 117.11 1o7b s ALA 48 Ca 0.06 -2.71 -0.37 0.00 0.00 0.00 0.00 51.96 48.93 1o7b s ALA 48 Cb 0.03 -3.25 -0.13 0.00 0.00 0.00 0.00 23.12 19.77 1o7b s ALA 48 CO 0.05 -2.06 1.88 0.00 0.00 0.00 0.00 175.76 175.63 1o7b n ALA 49 N 4.91 0.44 -2.67 0.00 0.00 -1.25 -4.62 120.51 117.32 1o7b n ALA 49 Ca -0.07 0.27 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 1o7b n ALA 49 Cb 0.41 -2.39 -0.09 0.00 0.00 0.00 0.00 19.45 17.38 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 4.43 2.00 0.51 0.00 0.00 -0.79 0.28 107.32 113.76 1o7b s GLY 50 Ca 0.98 -0.83 -0.22 0.00 0.00 0.00 0.00 44.72 44.65 1o7b s GLY 50 CO 0.58 0.43 1.26 0.79 0.00 0.00 0.00 173.10 176.15 1o7b n TRP 51 N 4.26 1.97 -3.69 1.90 7.02 -1.05 -4.22 117.44 123.63 1o7b n TRP 51 Ca -0.14 0.46 0.00 0.00 -1.02 0.00 0.00 57.50 56.79 1o7b n TRP 51 Cb 0.52 -2.33 0.00 0.00 -2.42 0.00 0.00 31.31 27.08 1o7b n TRP 51 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1o7b n MET 52 N -0.66 0.00 -1.50 -0.99 0.00 -0.54 -3.64 117.12 109.78 1o7b n MET 52 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.42 1o7b n MET 52 Cb 0.43 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.70 1o7b n MET 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1o7b n ALA 53 N -3.00 -0.66 0.00 3.17 0.00 -1.15 -0.94 120.51 117.92 1o7b n ALA 53 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1o7b n ALA 53 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1o7b n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1o7b n LYS 54 N -0.55 0.00 -0.99 0.00 4.81 -1.26 -2.47 118.16 117.71 1o7b n LYS 54 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1o7b n LYS 54 Cb 0.48 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.76 1o7b n LYS 54 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1o7b n GLY 55 N -1.93 0.88 3.80 3.14 0.00 -0.12 -5.00 105.19 105.97 1o7b n GLY 55 Ca 0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.23 4.45 0.04 1.61 3.52 -1.03 -4.77 118.95 120.53 1o7b s ARG 56 Ca 0.00 1.20 0.05 0.00 -0.13 0.00 0.00 55.73 56.85 1o7b s ARG 56 Cb 0.00 -2.67 -0.02 0.00 -1.56 0.00 0.00 34.95 30.70 1o7b s ARG 56 CO 0.00 0.23 -0.14 0.14 -0.81 0.00 0.00 175.30 174.71 1o7b s VAL 57 N -1.73 1.14 -0.17 7.11 -7.23 -1.26 -1.47 120.40 116.79 1o7b s VAL 57 Ca 0.52 -0.99 -0.35 0.00 -1.81 0.00 0.00 61.98 59.34 1o7b s VAL 57 Cb -0.16 -1.03 0.14 0.00 0.56 0.00 0.00 36.38 35.89 1o7b s VAL 57 CO 0.21 0.03 1.22 -0.83 -0.31 0.00 0.00 175.10 175.42 1o7b s GLY 58 N -1.11 -0.30 -0.28 2.32 0.00 -1.26 -4.11 107.32 102.57 1o7b s GLY 58 Ca 0.02 1.50 -0.01 0.00 0.00 0.00 0.00 44.72 46.24 1o7b s GLY 58 CO 0.01 0.49 0.07 -2.52 0.00 0.00 0.00 173.10 171.15 1o7b s TYR 59 N -2.41 1.67 -0.99 1.90 1.13 -0.66 -1.88 117.35 116.11 1o7b s TYR 59 Ca 0.10 -1.58 -0.25 0.00 -1.41 0.00 0.00 57.07 53.93 1o7b s TYR 59 Cb -0.00 -1.58 -0.10 0.00 -1.10 0.00 0.00 41.96 39.17 1o7b s TYR 59 CO -0.04 -0.81 2.05 -1.25 -2.51 0.00 0.00 175.55 172.98 1o7b s PRO 60 N 1.63 2.16 0.52 -3.49 0.04 -1.24 -1.79 135.00 132.84 1o7b s PRO 60 Ca 0.06 -0.42 -0.19 0.00 0.04 0.00 0.00 61.00 60.49 1o7b s PRO 60 Cb -0.17 -5.05 -0.07 0.00 0.04 0.00 0.00 34.50 29.25 1o7b s PRO 60 CO -0.20 -4.06 1.05 0.42 0.04 0.00 0.00 177.00 174.26 1o7b s ILE 61 N 12.23 3.74 0.00 0.56 -1.09 -1.00 -3.05 121.20 132.60 1o7b s ILE 61 Ca 0.75 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 60.18 1o7b s ILE 61 Cb -0.06 -3.42 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 1o7b s ILE 61 CO 0.07 -0.31 0.00 0.52 -1.23 0.00 0.00 174.94 173.99 1o7b n VAL 62 N -1.30 0.00 -3.92 2.92 0.31 -1.26 -1.66 118.33 113.41 1o7b n VAL 62 Ca 0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.13 1o7b n VAL 62 Cb 0.52 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.32 1o7b n VAL 62 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1o7b s LYS 63 N -1.00 2.21 1.11 5.55 2.36 -1.26 -4.94 119.74 123.77 1o7b s LYS 63 Ca 0.00 -2.95 -0.18 0.00 -2.55 0.00 0.00 55.97 50.28 1o7b s LYS 63 Cb 0.00 -3.38 0.10 0.00 -1.05 0.00 0.00 37.83 33.50 1o7b s LYS 63 CO 0.00 -1.19 0.01 -2.30 1.55 0.00 0.00 175.35 173.42 1o7b n PRO 64 N 2.60 -1.52 0.00 4.03 -0.02 -1.26 -4.58 135.00 134.25 1o7b n PRO 64 Ca 0.12 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 1o7b n PRO 64 Cb 0.33 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1o7b n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o7b n GLY 65 N 2.01 3.62 0.00 -1.23 0.00 -1.26 -4.71 105.19 103.62 1o7b n GLY 65 Ca 0.01 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1o7b n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1o7b n PRO 66 N 0.00 0.12 0.00 1.61 -0.04 -1.26 -4.45 135.00 130.99 1o7b n PRO 66 Ca 0.00 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1o7b n PRO 66 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1o7b n PRO 66 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1o7b n ASN 67 N -1.44 0.00 0.04 3.54 5.15 -1.26 -5.06 115.26 116.23 1o7b n ASN 67 Ca 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1o7b n ASN 67 Cb 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1o7b s GLY 69 N -3.87 2.91 0.00 0.00 0.00 -1.26 -4.88 107.32 100.22 1o7b s GLY 69 Ca 0.00 0.63 0.15 0.00 0.00 0.00 0.00 44.72 45.51 1o7b s GLY 69 CO 0.00 1.59 1.45 0.33 0.00 0.00 0.00 173.10 176.47 1o7b n PHE 70 N 3.05 0.19 0.00 1.90 7.35 -1.26 -4.60 117.46 124.08 1o7b n PHE 70 Ca 0.04 -0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 1o7b n PHE 70 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 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 0.95 1.66 3.81 7.13 0.00 -1.26 -5.07 105.19 112.40 1o7b n GLY 71 Ca 0.12 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 2.58 -0.17 1.61 1.02 -1.26 -5.08 119.74 118.43 1o7b s LYS 72 Ca 0.00 -1.41 -0.03 0.00 0.02 0.00 0.00 55.97 54.55 1o7b s LYS 72 Cb 0.00 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1o7b s LYS 72 CO 0.00 0.08 -0.05 0.95 -0.92 0.00 0.00 175.35 175.41 1o7b s THR 73 N -2.36 3.62 0.00 2.17 -4.23 -1.26 -4.75 115.64 108.82 1o7b s THR 73 Ca 0.40 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1o7b s THR 73 Cb -0.04 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1o7b s THR 73 CO 0.25 0.47 0.00 0.61 -0.54 0.00 0.00 174.62 175.42 1o7b n GLY 74 N 3.90 2.76 3.69 3.99 0.00 -0.67 -5.02 105.19 113.84 1o7b n GLY 74 Ca -0.18 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1o7b n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o7b s ILE 75 N -2.00 2.68 -0.94 -0.61 1.01 -1.26 -2.37 121.20 117.70 1o7b s ILE 75 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 1o7b s ILE 75 Cb 0.00 -3.09 0.24 0.00 0.01 0.00 0.00 42.46 39.62 1o7b s ILE 75 CO 0.00 -0.00 0.91 -0.63 0.00 0.00 0.00 174.94 175.21 1o7b s ILE 76 N 2.83 5.77 -0.09 2.92 1.01 -0.74 -4.86 121.20 128.04 1o7b s ILE 76 Ca 0.80 -2.86 0.01 0.00 0.00 0.00 0.00 60.65 58.60 1o7b s ILE 76 Cb -0.44 -4.52 0.02 0.00 0.01 0.00 0.00 42.46 37.52 1o7b s ILE 76 CO 0.36 -1.09 -0.12 -0.62 0.00 0.00 0.00 174.94 173.47 1o7b s ASP 77 N 1.82 2.11 -0.00 3.58 2.15 -1.26 -1.66 116.67 123.41 1o7b s ASP 77 Ca 0.23 -0.34 0.11 0.00 0.43 0.00 0.00 52.55 52.98 1o7b s ASP 77 Cb -0.10 -0.92 0.32 0.00 -0.30 0.00 0.00 42.92 41.92 1o7b s ASP 77 CO -0.09 -0.02 1.26 -1.22 -0.17 0.00 0.00 175.17 174.94 1o7b n TYR 78 N 4.27 0.48 -0.08 -5.34 4.01 -1.26 -5.03 117.16 114.21 1o7b n TYR 78 Ca -0.19 -0.24 0.01 0.00 -0.16 0.00 0.00 57.90 57.32 1o7b n TYR 78 Cb 0.51 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1o7b n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1o7b n GLY 79 N 1.07 -2.23 3.56 2.72 0.00 -1.26 -4.86 105.19 104.18 1o7b n GLY 79 Ca 0.12 -1.46 -0.52 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.43 0.45 -0.69 -0.61 2.08 -1.26 -4.76 119.36 112.13 1o7b n ILE 80 Ca -0.00 -0.11 -0.08 0.00 0.56 0.00 0.00 62.75 63.12 1o7b n ILE 80 Cb 0.04 -0.64 0.24 0.00 -0.75 0.00 0.00 39.64 38.53 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 1.96 3.07 -1.13 0.38 5.12 -1.26 -4.86 116.66 119.94 1o7b n ARG 81 Ca 0.17 -2.52 -0.09 0.00 -1.93 0.00 0.00 57.85 53.49 1o7b n ARG 81 Cb 0.20 -2.04 -0.04 0.00 -1.16 0.00 0.00 32.46 29.41 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 -0.20 -0.34 -3.29 0.55 -0.00 -1.26 -4.84 117.00 107.62 1o7b n LEU 82 Ca 0.37 0.21 -0.08 0.00 -0.00 0.00 0.00 56.01 56.51 1o7b n LEU 82 Cb 1.26 -2.05 -0.05 0.00 -0.00 0.00 0.00 43.42 42.57 1o7b n LEU 82 CO 0.39 -0.74 -0.05 0.21 -0.00 0.00 0.00 177.39 177.20 1o7b s ASN 83 N -1.90 0.18 0.00 1.96 2.47 -1.26 -5.00 114.94 111.39 1o7b s ASN 83 Ca 0.00 -0.46 0.00 0.00 0.42 0.00 0.00 52.86 52.82 1o7b s ASN 83 Cb 0.00 1.19 0.00 0.00 -1.45 0.00 0.00 41.25 40.99 1o7b s ASN 83 CO 0.00 -0.33 0.87 -2.11 -3.72 0.00 0.00 177.10 171.81 1o7b n ARG 84 N 5.22 0.96 -0.31 0.43 1.85 -1.26 -3.43 116.66 120.13 1o7b n ARG 84 Ca 0.02 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.97 1o7b n ARG 84 Cb 0.50 -1.10 0.22 0.00 -1.05 0.00 0.00 32.46 31.02 1o7b n ARG 84 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1o7b n SER 85 N 0.43 3.32 -4.85 2.89 7.64 -1.26 -2.13 113.62 119.66 1o7b n SER 85 Ca 0.00 -3.04 -0.29 0.00 1.01 0.00 0.00 58.87 56.55 1o7b n SER 85 Cb 0.44 -0.50 0.09 0.00 -1.01 0.00 0.00 64.21 63.23 1o7b n SER 85 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1o7b s GLU 86 N -2.84 1.92 -0.35 1.43 0.41 -1.22 -4.91 118.70 113.15 1o7b s GLU 86 Ca 0.38 0.30 -0.14 0.00 -0.41 0.00 0.00 54.97 55.10 1o7b s GLU 86 Cb 0.32 -1.93 -0.01 0.00 -1.78 0.00 0.00 34.13 30.73 1o7b s GLU 86 CO 0.07 -1.66 0.32 -0.98 -0.49 0.00 0.00 175.26 172.51 1o7b s ARG 87 N -5.39 3.51 0.00 1.61 1.70 -1.26 -4.01 118.95 115.10 1o7b s ARG 87 Ca 0.62 -0.53 0.00 0.00 -0.47 0.00 0.00 55.73 55.35 1o7b s ARG 87 Cb -0.13 -3.82 0.00 0.00 -0.57 0.00 0.00 34.95 30.44 1o7b s ARG 87 CO 0.51 -0.51 0.00 0.91 -1.08 0.00 0.00 175.30 175.13 1o7b n TRP 88 N 5.28 -0.69 -0.19 5.89 5.03 -0.93 -4.38 117.44 127.45 1o7b n TRP 88 Ca -0.10 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.43 1o7b n TRP 88 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.77 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 -1.36 0.00 -3.35 -0.99 9.92 0.14 -1.34 116.55 119.56 1o7b n ASP 89 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.28 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 -3.01 -2.60 -1.28 2.24 0.00 0.26 -2.53 121.76 114.84 1o7b s ALA 90 Ca 0.00 1.96 -0.13 0.00 0.00 0.00 0.00 51.96 53.78 1o7b s ALA 90 Cb 0.00 -2.10 0.13 0.00 0.00 0.00 0.00 23.12 21.15 1o7b s ALA 90 CO 0.00 -1.13 1.73 0.66 0.00 0.00 0.00 175.76 177.02 1o7b n TYR 91 N 5.27 4.12 -0.86 0.00 4.01 -1.24 0.58 117.16 129.05 1o7b n TYR 91 Ca -0.08 -3.04 -0.34 0.00 -0.16 0.00 0.00 57.90 54.28 1o7b n TYR 91 Cb 0.52 -2.25 0.10 0.00 -0.31 0.00 0.00 39.34 37.39 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 -2.20 -0.79 -0.30 0.00 6.14 0.24 0.88 117.35 121.32 1o7b s TYR 93 Ca 0.49 1.70 -0.14 0.00 0.64 0.00 0.00 57.07 59.76 1o7b s TYR 93 Cb -0.15 0.40 0.16 0.00 0.42 0.00 0.00 41.96 42.78 1o7b s TYR 93 CO 0.72 -0.40 0.91 1.21 0.64 0.00 0.00 175.55 178.62 1o7b s ASN 94 N 1.17 -0.70 0.60 4.32 3.84 -0.98 -0.82 114.94 122.38 1o7b s ASN 94 Ca -0.07 0.97 0.30 0.00 0.21 0.00 0.00 52.86 54.27 1o7b s ASN 94 Cb -0.06 1.77 1.79 0.00 -0.55 0.00 0.00 41.25 44.20 1o7b s ASN 94 CO -0.12 -0.14 2.20 1.55 -2.79 0.00 0.00 177.10 177.81 1o7b h PRO 95 N 7.53 0.00 -0.45 0.43 0.13 -1.92 0.10 132.00 137.83 1o7b h PRO 95 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1o7b h PRO 95 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1o7b h PRO 95 CO 0.09 0.00 0.00 1.58 -0.23 0.00 0.00 178.00 179.44 1o7b n HIS 96 N -3.78 0.58 -0.90 1.56 -0.00 -1.26 -4.58 115.22 106.84 1o7b n HIS 96 Ca -0.01 -0.31 -0.10 0.00 0.46 0.00 0.00 57.72 57.76 1o7b n HIS 96 Cb 0.17 -0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.94 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 1.46 5.66 -1.39 1.57 0.00 0.35 -5.06 120.51 123.09 1o7b n ALA 97 Ca 0.20 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1o7b n ALA 97 Cb 0.59 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1o7b n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67