#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 3.41 0.23 1.61 0.11 -1.26 -2.83 120.40 121.67 1o7b s VAL 2 Ca 0.00 1.17 0.03 0.00 -2.93 0.00 0.00 61.98 60.25 1o7b s VAL 2 Cb 0.00 -3.75 -0.05 0.00 -1.53 0.00 0.00 36.38 31.05 1o7b s VAL 2 CO 0.00 0.18 0.01 -0.72 -3.33 0.00 0.00 175.10 171.24 1o7b s TYR 3 N 0.06 1.51 -0.09 1.54 1.13 0.12 -4.92 117.35 116.71 1o7b s TYR 3 Ca 0.55 -0.96 -0.02 0.00 -1.41 0.00 0.00 57.07 55.22 1o7b s TYR 3 Cb -0.34 -0.88 -0.03 0.00 -1.10 0.00 0.00 41.96 39.60 1o7b s TYR 3 CO 0.37 -0.09 0.01 -1.58 -2.51 0.00 0.00 175.55 171.75 1o7b s HIS 4 N -3.48 3.19 0.33 -3.49 5.65 -1.26 0.75 115.29 116.97 1o7b s HIS 4 Ca 0.29 0.20 0.01 0.00 0.25 0.00 0.00 55.06 55.81 1o7b s HIS 4 Cb 0.06 -1.81 -0.01 0.00 -1.18 0.00 0.00 32.58 29.64 1o7b s HIS 4 CO 0.09 0.47 0.38 1.03 -0.65 0.00 0.00 174.74 176.06 1o7b s ARG 5 N -0.83 1.82 0.00 2.88 1.81 -0.01 -4.93 118.95 119.69 1o7b s ARG 5 Ca 0.13 -1.85 0.00 0.00 -1.72 0.00 0.00 55.73 52.29 1o7b s ARG 5 Cb -0.11 0.39 0.00 0.00 -0.45 0.00 0.00 34.95 34.78 1o7b s ARG 5 CO 0.02 -0.72 0.00 -1.91 -0.68 0.00 0.00 175.30 172.01 1o7b n GLU 6 N -0.57 1.36 -0.12 3.54 4.07 -1.26 -2.01 120.64 125.65 1o7b n GLU 6 Ca 0.03 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.11 1o7b n GLU 6 Cb 0.62 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 32.02 1o7b n GLU 6 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1o7b n ALA 7 N -3.00 -0.26 -0.32 4.31 0.00 -1.14 -4.87 120.51 115.23 1o7b n ALA 7 Ca 0.00 -0.15 0.18 0.00 0.00 0.00 0.00 53.44 53.46 1o7b n ALA 7 Cb 0.00 -0.01 0.37 0.00 0.00 0.00 0.00 19.45 19.81 1o7b n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o7b h ARG 8 N 0.00 0.27 0.00 0.00 3.08 -2.00 -3.35 114.38 112.38 1o7b h ARG 8 Ca -0.04 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1o7b h ARG 8 Cb 0.11 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1o7b h ARG 8 CO 0.03 0.18 -0.06 -1.13 -1.07 0.00 0.00 179.97 177.91 1o7b n SER 9 N -5.14 -0.21 -4.52 7.04 3.41 -1.26 -5.15 113.62 107.79 1o7b n SER 9 Ca 0.26 -0.74 -0.24 0.00 -0.26 0.00 0.00 58.87 57.88 1o7b n SER 9 Cb 0.80 0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.71 1o7b n SER 9 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1o7b s GLY 10 N -0.21 2.15 0.09 5.00 0.00 -1.26 -5.15 107.32 107.94 1o7b s GLY 10 Ca 0.00 -2.09 0.07 0.00 0.00 0.00 0.00 44.72 42.70 1o7b s GLY 10 CO 0.00 -1.96 -0.10 1.25 0.00 0.00 0.00 173.10 172.28 1o7b s LYS 11 N -3.71 2.18 -1.17 2.90 2.20 -1.26 -2.86 119.74 118.01 1o7b s LYS 11 Ca 0.33 -0.98 -0.32 0.00 -0.36 0.00 0.00 55.97 54.63 1o7b s LYS 11 Cb 0.06 -2.32 0.04 0.00 -1.51 0.00 0.00 37.83 34.10 1o7b s LYS 11 CO 0.15 0.52 0.60 0.66 -0.36 0.00 0.00 175.35 176.93 1o7b n TYR 12 N 0.88 -1.28 -1.97 4.03 4.01 -1.26 -4.81 117.16 116.76 1o7b n TYR 12 Ca -0.14 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1o7b n TYR 12 Cb 0.52 -2.60 0.00 0.00 -0.31 0.00 0.00 39.34 36.95 1o7b n TYR 12 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1o7b n LYS 13 N -4.86 0.00 -3.67 -0.72 2.85 -1.25 -4.50 118.16 106.01 1o7b n LYS 13 Ca -0.12 -0.31 -0.35 0.00 -1.05 0.00 0.00 58.31 56.48 1o7b n LYS 13 Cb 0.54 -0.17 -0.05 0.00 -0.65 0.00 0.00 35.03 34.70 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 4.37 0.00 -5.58 1.43 -0.72 -4.82 118.68 113.35 1o7b s LEU 14 Ca 0.00 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1o7b s LEU 14 Cb 0.00 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1o7b s LEU 14 CO 0.00 0.22 0.00 0.35 0.23 0.00 0.00 176.35 177.15 1o7b n THR 15 N 1.06 0.00 -0.06 5.49 -2.24 -1.26 -1.74 114.28 115.52 1o7b n THR 15 Ca -0.10 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1o7b n THR 15 Cb 0.53 -0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 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 0.02 0.00 -0.07 4.78 3.20 -1.85 -2.47 116.97 120.57 1o7b h TYR 16 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1o7b h TYR 16 Cb 0.00 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 1o7b h TYR 16 CO 0.00 0.16 0.01 0.00 -1.64 0.00 0.00 178.16 176.69 1o7b h ALA 17 N -0.90 1.89 -0.00 1.82 0.00 -1.98 -1.25 119.26 118.83 1o7b h ALA 17 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1o7b h ALA 17 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1o7b h ALA 17 CO -0.01 0.09 -0.07 0.93 0.00 0.00 0.00 179.25 180.19 1o7b h GLU 18 N 0.10 0.05 -0.91 0.00 5.08 -1.97 -2.74 114.58 114.18 1o7b h GLU 18 Ca 0.03 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1o7b h GLU 18 Cb 0.05 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 1o7b h GLU 18 CO -0.00 0.81 0.59 0.00 -1.00 0.00 0.00 179.01 179.40 1o7b h ALA 19 N 0.24 1.65 0.14 3.43 0.00 -1.07 0.25 119.26 123.89 1o7b h ALA 19 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1o7b h ALA 19 Cb 0.83 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1o7b h ALA 19 CO 0.01 0.15 -0.07 -0.22 0.00 0.00 0.00 179.25 179.12 1o7b h LYS 20 N 0.87 -0.18 -0.28 0.00 3.64 -1.28 -2.00 116.57 117.35 1o7b h LYS 20 Ca 0.43 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 1o7b h LYS 20 Cb 0.48 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1o7b h LYS 20 CO -0.20 0.10 0.14 0.00 -2.27 0.00 0.00 179.45 177.22 1o7b h ALA 21 N 0.38 0.36 -0.94 5.00 0.00 -1.09 -0.44 119.26 122.53 1o7b h ALA 21 Ca -0.02 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.97 1o7b h ALA 21 Cb 0.35 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1o7b h ALA 21 CO 0.03 -0.09 0.60 0.28 0.00 0.00 0.00 179.25 180.07 1o7b h VAL 22 N 0.32 0.78 0.42 0.00 2.07 -0.53 0.15 116.25 119.46 1o7b h VAL 22 Ca 0.10 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1o7b h VAL 22 Cb 0.10 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1o7b h VAL 22 CO -0.01 0.12 -0.20 0.00 0.02 0.00 0.00 177.57 177.50 1o7b h GLU 24 N -0.97 0.00 0.00 0.00 5.08 0.78 0.48 114.58 119.95 1o7b h GLU 24 Ca -0.06 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.07 1o7b h GLU 24 Cb 0.43 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1o7b h GLU 24 CO 0.09 0.00 -1.53 0.35 -1.00 0.00 0.00 179.01 176.92 1o7b h PHE 25 N 0.00 0.00 -0.40 4.33 3.57 -0.65 -3.33 116.94 120.45 1o7b h PHE 25 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1o7b h PHE 25 Cb 0.94 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1o7b h PHE 25 CO 0.00 0.82 0.00 0.39 -2.23 0.00 0.00 178.31 177.29 1o7b n GLU 26 N -3.00 3.67 -2.06 1.11 1.02 0.16 -4.91 120.64 116.64 1o7b n GLU 26 Ca -0.13 -2.16 -0.02 0.00 -0.02 0.00 0.00 57.16 54.82 1o7b n GLU 26 Cb 0.96 -2.02 0.01 0.00 -0.02 0.00 0.00 31.44 30.37 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 0.45 -0.25 0.00 0.62 0.00 -0.91 -5.02 105.19 100.07 1o7b n GLY 27 Ca 0.19 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.33 -1.20 3.51 -0.02 0.00 -0.91 -4.56 105.19 100.69 1o7b n GLY 28 Ca -0.01 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.00 0.64 -0.38 1.61 -3.43 -0.20 -0.68 115.29 109.85 1o7b s HIS 29 Ca 0.00 -0.96 -0.27 0.00 -0.80 0.00 0.00 55.06 53.02 1o7b s HIS 29 Cb 0.00 0.03 -0.04 0.00 -1.43 0.00 0.00 32.58 31.14 1o7b s HIS 29 CO 0.00 -0.99 2.07 -0.51 -2.00 0.00 0.00 174.74 173.31 1o7b s LEU 30 N -3.09 3.43 0.00 5.38 1.43 -1.26 -0.20 118.68 124.36 1o7b s LEU 30 Ca 0.27 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1o7b s LEU 30 Cb 0.00 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.12 1o7b s LEU 30 CO 0.12 -2.17 0.00 0.00 0.23 0.00 0.00 176.35 174.53 1o7b n ALA 31 N 12.44 0.00 -2.32 4.21 0.00 -0.36 -4.52 120.51 129.96 1o7b n ALA 31 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.55 1o7b n ALA 31 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.57 0.91 0.11 0.00 -4.23 -1.26 -3.38 115.64 107.22 1o7b s THR 32 Ca 0.00 -2.02 -0.28 0.00 -1.18 0.00 0.00 61.69 58.21 1o7b s THR 32 Cb 0.00 -2.40 -0.09 0.00 1.34 0.00 0.00 72.50 71.36 1o7b s THR 32 CO 0.00 -0.26 1.62 0.22 -0.54 0.00 0.00 174.62 175.65 1o7b h TYR 33 N 2.46 -0.88 -0.57 3.99 3.20 -1.97 -0.36 116.97 122.84 1o7b h TYR 33 Ca -0.38 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.62 1o7b h TYR 33 Cb 1.23 0.37 -0.08 0.00 1.54 0.00 0.00 36.73 39.78 1o7b h TYR 33 CO 0.55 -0.43 0.09 -0.22 -1.64 0.00 0.00 178.16 176.51 1o7b h LYS 34 N -0.55 0.21 -0.56 1.82 3.64 -2.00 0.22 116.57 119.35 1o7b h LYS 34 Ca 0.03 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1o7b h LYS 34 Cb 0.58 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1o7b h LYS 34 CO -0.19 0.14 0.37 1.96 -2.27 0.00 0.00 179.45 179.47 1o7b h GLN 35 N 0.22 0.57 -0.21 1.90 4.20 -1.83 0.49 115.11 120.46 1o7b h GLN 35 Ca 0.30 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 1o7b h GLN 35 Cb 0.44 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1o7b h GLN 35 CO -0.40 0.38 -0.10 -0.07 -0.67 0.00 0.00 178.83 177.96 1o7b h LEU 36 N 0.59 0.31 0.64 1.46 -0.00 0.11 -2.33 115.31 116.10 1o7b h LEU 36 Ca 0.24 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 58.02 1o7b h LEU 36 Cb 0.19 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1o7b h LEU 36 CO -0.07 0.45 -0.31 -0.08 -0.00 0.00 0.00 178.44 178.44 1o7b h GLU 37 N 0.31 -0.83 -0.81 1.13 4.81 -0.14 -1.53 114.58 117.53 1o7b h GLU 37 Ca 0.06 0.06 0.22 0.00 -0.13 0.00 0.00 59.36 59.57 1o7b h GLU 37 Cb 0.38 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1o7b h GLU 37 CO 0.02 -0.51 0.57 0.00 -0.73 0.00 0.00 179.01 178.36 1o7b h ALA 38 N -0.77 2.65 -0.00 2.92 0.00 -1.34 0.88 119.26 123.60 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 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1o7b h ALA 38 CO 0.14 -0.89 -0.61 0.00 0.00 0.00 0.00 179.25 177.90 1o7b h ALA 39 N 1.61 0.99 -0.15 0.00 0.00 -1.03 -2.99 119.26 117.68 1o7b h ALA 39 Ca 0.39 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1o7b h ALA 39 Cb 1.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1o7b h ALA 39 CO -0.04 0.76 -0.58 -0.09 0.00 0.00 0.00 179.25 179.31 1o7b h ARG 40 N 0.00 0.49 -0.91 0.00 2.43 0.18 -1.51 114.38 115.07 1o7b h ARG 40 Ca -0.01 -0.32 0.20 0.00 -0.81 0.00 0.00 59.98 59.04 1o7b h ARG 40 Cb 1.08 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.61 1o7b h ARG 40 CO 0.08 0.93 0.59 0.87 -1.51 0.00 0.00 179.97 180.93 1o7b h LYS 41 N 0.37 0.44 0.00 0.20 1.57 -1.18 0.29 116.57 118.26 1o7b h LYS 41 Ca 0.00 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.50 1o7b h LYS 41 Cb 1.12 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1o7b h LYS 41 CO 0.10 0.29 -1.35 -0.84 -0.57 0.00 0.00 179.45 177.09 1o7b h ILE 42 N 0.45 1.29 0.00 1.86 -0.00 -1.63 -3.48 117.51 116.01 1o7b h ILE 42 Ca 0.47 -3.07 0.00 0.00 -0.00 0.00 0.00 64.86 62.26 1o7b h ILE 42 Cb 1.11 2.64 0.00 0.00 -0.00 0.00 0.00 36.82 40.57 1o7b h ILE 42 CO -0.19 0.74 0.00 0.61 -0.00 0.00 0.00 178.15 179.31 1o7b n GLY 43 N 1.45 0.80 3.49 0.16 0.00 0.09 -5.07 105.19 106.12 1o7b n GLY 43 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.47 3.00 -0.39 1.61 5.36 -0.59 -4.97 117.98 121.54 1o7b s PHE 44 Ca 0.00 -1.40 -0.12 0.00 -0.96 0.00 0.00 56.93 54.45 1o7b s PHE 44 Cb 0.00 -4.43 0.03 0.00 -0.34 0.00 0.00 43.02 38.28 1o7b s PHE 44 CO 0.00 -1.61 0.24 -1.58 -1.46 0.00 0.00 175.22 170.81 1o7b s HIS 45 N 3.21 3.25 -0.18 10.12 5.65 -1.26 -4.67 115.29 131.41 1o7b s HIS 45 Ca 0.40 -0.88 -0.04 0.00 0.25 0.00 0.00 55.06 54.78 1o7b s HIS 45 Cb -0.02 -2.52 0.08 0.00 -1.18 0.00 0.00 32.58 28.93 1o7b s HIS 45 CO -0.07 -0.65 0.16 0.08 -0.65 0.00 0.00 174.74 173.62 1o7b s VAL 46 N 1.59 -0.21 -2.00 0.89 1.01 -1.11 -4.97 120.40 115.59 1o7b s VAL 46 Ca 0.03 -0.11 0.18 0.00 0.00 0.00 0.00 61.98 62.07 1o7b s VAL 46 Cb -0.19 -0.61 0.51 0.00 0.00 0.00 0.00 36.38 36.08 1o7b s VAL 46 CO 0.08 -0.22 1.46 0.00 0.00 0.00 0.00 175.10 176.42 1o7b s ALA 48 N -2.00 3.81 0.19 0.00 0.00 -1.26 -4.82 121.76 117.68 1o7b s ALA 48 Ca 0.27 -3.05 -0.29 0.00 0.00 0.00 0.00 51.96 48.89 1o7b s ALA 48 Cb 0.12 -3.66 -0.17 0.00 0.00 0.00 0.00 23.12 19.41 1o7b s ALA 48 CO 0.21 -2.47 0.57 0.00 0.00 0.00 0.00 175.76 174.07 1o7b n ALA 49 N 4.93 -2.82 -2.54 0.00 0.00 -1.25 -4.40 120.51 114.44 1o7b n ALA 49 Ca 0.14 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.72 1o7b n ALA 49 Cb 0.47 -1.64 -0.11 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.92 1.73 0.10 0.00 0.00 -0.19 0.14 107.32 108.19 1o7b s GLY 50 Ca 0.65 -1.25 -0.27 0.00 0.00 0.00 0.00 44.72 43.85 1o7b s GLY 50 CO 0.56 -1.21 0.83 -0.98 0.00 0.00 0.00 173.10 172.30 1o7b s TRP 51 N -1.14 3.81 0.00 1.90 0.52 -0.03 -3.31 118.94 120.69 1o7b s TRP 51 Ca 0.19 1.62 0.00 0.00 0.02 0.00 0.00 56.10 57.93 1o7b s TRP 51 Cb -0.11 -2.88 0.00 0.00 -1.15 0.00 0.00 33.47 29.33 1o7b s TRP 51 CO 0.11 0.32 0.00 0.00 0.02 0.00 0.00 176.95 177.41 1o7b n MET 52 N 2.44 0.00 -1.44 4.98 0.00 -0.22 -3.75 117.12 119.13 1o7b n MET 52 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.28 1o7b n MET 52 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.74 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 -1.48 -1.50 3.17 0.00 -1.22 -0.76 120.51 115.72 1o7b n ALA 53 Ca 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 1o7b n ALA 53 Cb 0.00 -1.76 -0.07 0.00 0.00 0.00 0.00 19.45 17.62 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 0.39 -1.50 -1.59 0.00 4.81 -1.26 -1.47 118.16 117.54 1o7b n LYS 54 Ca 0.11 1.10 -0.19 0.00 -0.87 0.00 0.00 58.31 58.46 1o7b n LYS 54 Cb 0.44 -5.48 -0.08 0.00 0.02 0.00 0.00 35.03 29.94 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 -0.25 1.79 3.76 3.14 0.00 0.06 -4.82 105.19 108.86 1o7b n GLY 55 Ca -0.17 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.68 4.37 -0.01 1.61 3.52 -0.54 -4.69 118.95 119.52 1o7b s ARG 56 Ca 0.00 2.17 0.03 0.00 -0.13 0.00 0.00 55.73 57.80 1o7b s ARG 56 Cb 0.00 -3.11 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1o7b s ARG 56 CO 0.00 -0.21 -0.12 0.14 -0.81 0.00 0.00 175.30 174.31 1o7b s VAL 57 N -0.72 0.92 0.04 7.11 -7.23 -1.26 -1.05 120.40 118.21 1o7b s VAL 57 Ca 0.52 -0.49 -0.28 0.00 -1.81 0.00 0.00 61.98 59.92 1o7b s VAL 57 Cb -0.39 -0.78 0.09 0.00 0.56 0.00 0.00 36.38 35.87 1o7b s VAL 57 CO 0.48 0.26 0.87 -0.83 -0.31 0.00 0.00 175.10 175.57 1o7b s GLY 58 N -0.20 -0.44 -0.27 2.32 0.00 -1.21 -4.18 107.32 103.34 1o7b s GLY 58 Ca 0.03 0.81 -0.00 0.00 0.00 0.00 0.00 44.72 45.56 1o7b s GLY 58 CO -0.00 0.26 0.05 -2.52 0.00 0.00 0.00 173.10 170.89 1o7b s TYR 59 N -3.22 1.98 -0.82 1.90 1.13 -0.84 -1.02 117.35 116.46 1o7b s TYR 59 Ca 0.06 -1.72 -0.25 0.00 -1.41 0.00 0.00 57.07 53.74 1o7b s TYR 59 Cb -0.01 -1.69 -0.07 0.00 -1.10 0.00 0.00 41.96 39.08 1o7b s TYR 59 CO -0.08 -0.81 2.09 -2.14 -2.51 0.00 0.00 175.55 172.10 1o7b s PRO 60 N 1.53 2.27 0.20 -3.49 0.02 -1.23 -1.96 135.00 132.33 1o7b s PRO 60 Ca 0.04 0.11 -0.24 0.00 0.02 0.00 0.00 61.00 60.94 1o7b s PRO 60 Cb -0.18 -4.89 -0.08 0.00 0.02 0.00 0.00 34.50 29.37 1o7b s PRO 60 CO -0.16 -3.61 0.78 0.42 -0.33 0.00 0.00 177.00 174.10 1o7b s ILE 61 N 11.42 4.41 0.00 2.83 -1.09 -1.09 -2.76 121.20 134.92 1o7b s ILE 61 Ca 0.77 1.60 0.00 0.00 -2.23 0.00 0.00 60.65 60.79 1o7b s ILE 61 Cb -0.10 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 1o7b s ILE 61 CO 0.05 0.39 0.00 0.52 -1.23 0.00 0.00 174.94 174.68 1o7b n VAL 62 N 1.23 0.00 -3.85 2.92 0.31 -1.26 -1.66 118.33 116.02 1o7b n VAL 62 Ca -0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.97 1o7b n VAL 62 Cb 0.49 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.30 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 -0.71 2.26 0.94 5.55 2.47 -1.26 -4.97 119.74 124.03 1o7b s LYS 63 Ca 0.00 -2.65 -0.14 0.00 -1.56 0.00 0.00 55.97 51.62 1o7b s LYS 63 Cb 0.00 -3.50 -0.01 0.00 -1.46 0.00 0.00 37.83 32.86 1o7b s LYS 63 CO 0.00 -1.15 0.16 -2.30 0.16 0.00 0.00 175.35 172.22 1o7b n PRO 64 N 3.16 -0.18 -3.83 4.03 -0.02 -1.26 -4.40 135.00 132.49 1o7b n PRO 64 Ca 0.07 -0.02 -0.05 0.00 -2.02 0.00 0.00 63.50 61.48 1o7b n PRO 64 Cb 0.34 -1.67 0.01 0.00 -0.02 0.00 0.00 33.50 32.17 1o7b n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1o7b s GLY 65 N -1.75 0.08 0.00 -1.23 0.00 -1.26 -4.69 107.32 98.47 1o7b s GLY 65 Ca 0.54 -0.33 0.03 0.00 0.00 0.00 0.00 44.72 44.96 1o7b s GLY 65 CO 0.70 0.94 0.56 -1.05 0.00 0.00 0.00 173.10 174.25 1o7b n PRO 66 N -0.58 0.29 0.00 2.90 -0.02 -1.26 -3.58 135.00 132.74 1o7b n PRO 66 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1o7b n PRO 66 Cb 0.60 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 1o7b n PRO 66 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1o7b n ASN 67 N -0.69 0.00 0.01 2.55 0.23 -1.26 -5.06 115.26 111.04 1o7b n ASN 67 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 1o7b n ASN 67 Cb 0.01 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1o7b s GLY 69 N -1.05 2.99 0.00 0.00 0.00 -1.26 -4.86 107.32 103.14 1o7b s GLY 69 Ca 0.00 0.69 0.11 0.00 0.00 0.00 0.00 44.72 45.52 1o7b s GLY 69 CO 0.00 1.46 1.27 0.33 0.00 0.00 0.00 173.10 176.16 1o7b n PHE 70 N 2.19 0.42 0.00 1.90 7.35 -1.26 -4.31 117.46 123.75 1o7b n PHE 70 Ca 0.01 -0.21 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 1o7b n PHE 70 Cb 0.47 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.30 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 1.03 3.13 3.97 7.13 0.00 -1.26 -5.05 105.19 114.14 1o7b n GLY 71 Ca 0.12 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 2.09 -0.14 1.61 3.01 -1.26 -4.99 119.74 120.06 1o7b s LYS 72 Ca 0.00 -0.82 0.02 0.00 -1.01 0.00 0.00 55.97 54.16 1o7b s LYS 72 Cb 0.00 -2.36 0.00 0.00 -1.01 0.00 0.00 37.83 34.47 1o7b s LYS 72 CO 0.00 -1.14 -0.20 0.95 0.51 0.00 0.00 175.35 175.47 1o7b s THR 73 N -3.02 2.26 0.00 2.17 -4.23 -1.26 -4.79 115.64 106.77 1o7b s THR 73 Ca 0.62 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1o7b s THR 73 Cb -0.08 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1o7b s THR 73 CO 0.42 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.65 1o7b n GLY 74 N 3.94 2.95 3.69 3.99 0.00 -0.66 -5.04 105.19 114.06 1o7b n GLY 74 Ca -0.19 -1.34 -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 2.86 -0.96 -0.61 1.01 -1.26 -2.67 121.20 117.57 1o7b s ILE 75 Ca 0.00 0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.84 1o7b s ILE 75 Cb 0.00 -3.21 0.19 0.00 0.01 0.00 0.00 42.46 39.45 1o7b s ILE 75 CO 0.00 -0.00 1.04 -0.63 0.00 0.00 0.00 174.94 175.35 1o7b s ILE 76 N 2.69 5.32 -0.16 2.92 1.01 -0.83 -4.89 121.20 127.26 1o7b s ILE 76 Ca 0.76 -2.38 0.01 0.00 0.00 0.00 0.00 60.65 59.05 1o7b s ILE 76 Cb -0.42 -4.66 0.02 0.00 0.01 0.00 0.00 42.46 37.41 1o7b s ILE 76 CO 0.34 -1.29 -0.18 -0.62 0.00 0.00 0.00 174.94 173.18 1o7b s ASP 77 N 2.58 2.97 0.00 3.58 -1.08 -1.26 -1.98 116.67 121.48 1o7b s ASP 77 Ca 0.28 -0.59 0.19 0.00 -0.52 0.00 0.00 52.55 51.92 1o7b s ASP 77 Cb -0.07 -1.37 0.66 0.00 -1.46 0.00 0.00 42.92 40.67 1o7b s ASP 77 CO -0.08 -0.00 1.49 -1.22 0.52 0.00 0.00 175.17 175.88 1o7b n TYR 78 N 4.55 0.27 0.00 -5.34 4.02 -1.26 -5.04 117.16 114.37 1o7b n TYR 78 Ca -0.20 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 1o7b n TYR 78 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 1o7b n TYR 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1o7b n GLY 79 N 1.12 -1.68 3.62 2.72 0.00 -1.26 -4.89 105.19 104.82 1o7b n GLY 79 Ca 0.15 -1.54 -0.44 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.96 1.94 -0.75 -0.61 2.08 -1.26 -4.76 119.36 114.05 1o7b n ILE 80 Ca 0.00 -0.49 0.08 0.00 0.56 0.00 0.00 62.75 62.91 1o7b n ILE 80 Cb 0.00 -1.18 0.34 0.00 -0.75 0.00 0.00 39.64 38.05 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 0.73 3.90 -1.18 0.38 5.12 -1.26 -4.91 116.66 119.44 1o7b n ARG 81 Ca 0.08 -2.91 -0.09 0.00 -1.93 0.00 0.00 57.85 53.00 1o7b n ARG 81 Cb 0.33 -1.96 -0.04 0.00 -1.16 0.00 0.00 32.46 29.63 1o7b n ARG 81 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1o7b n LEU 82 N 0.62 -0.29 -3.24 0.55 7.99 -1.26 -4.85 117.00 116.52 1o7b n LEU 82 Ca 0.25 0.23 -0.04 0.00 -0.01 0.00 0.00 56.01 56.44 1o7b n LEU 82 Cb 0.96 -2.28 -0.03 0.00 -0.11 0.00 0.00 43.42 41.95 1o7b n LEU 82 CO 0.24 -0.85 0.01 0.21 -1.51 0.00 0.00 177.39 175.48 1o7b s ASN 83 N -2.06 -0.53 0.00 -1.43 2.47 -1.26 -5.01 114.94 107.12 1o7b s ASN 83 Ca 0.00 -0.29 0.00 0.00 0.42 0.00 0.00 52.86 52.99 1o7b s ASN 83 Cb 0.00 1.51 0.00 0.00 -1.45 0.00 0.00 41.25 41.31 1o7b s ASN 83 CO 0.00 -0.31 1.42 -2.11 -3.72 0.00 0.00 177.10 172.38 1o7b n ARG 84 N 5.20 0.96 -0.21 0.43 0.00 -1.26 -3.65 116.66 118.14 1o7b n ARG 84 Ca 0.04 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.98 1o7b n ARG 84 Cb 0.52 -1.02 0.20 0.00 -0.00 0.00 0.00 32.46 32.16 1o7b n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1o7b n SER 85 N 0.99 3.24 -4.48 2.89 2.88 -1.26 -3.15 113.62 114.74 1o7b n SER 85 Ca 0.00 -1.93 -0.29 0.00 -1.33 0.00 0.00 58.87 55.32 1o7b n SER 85 Cb 0.48 -0.27 0.21 0.00 -0.75 0.00 0.00 64.21 63.88 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 -1.15 -0.36 -0.58 -1.46 0.41 -1.24 -4.95 118.70 109.37 1o7b s GLU 86 Ca 0.33 0.49 -0.02 0.00 -0.41 0.00 0.00 54.97 55.36 1o7b s GLU 86 Cb 0.19 -1.65 0.15 0.00 -1.78 0.00 0.00 34.13 31.04 1o7b s GLU 86 CO 0.25 -3.26 0.39 1.03 -0.49 0.00 0.00 175.26 173.18 1o7b s ARG 87 N -4.88 2.43 0.21 1.61 0.52 -1.26 -4.18 118.95 113.40 1o7b s ARG 87 Ca 0.67 -2.42 0.02 0.00 -0.52 0.00 0.00 55.73 53.48 1o7b s ARG 87 Cb -0.19 -3.68 -0.01 0.00 0.52 0.00 0.00 34.95 31.59 1o7b s ARG 87 CO 0.59 -1.15 0.07 0.91 0.02 0.00 0.00 175.30 175.74 1o7b n TRP 88 N 3.65 0.09 -1.94 -0.53 7.02 -0.71 -4.09 117.44 120.92 1o7b n TRP 88 Ca 0.06 -1.34 0.00 0.00 -1.02 0.00 0.00 57.50 55.19 1o7b n TRP 88 Cb 0.38 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.26 1o7b n TRP 88 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1o7b n ASP 89 N -1.76 0.00 -3.79 -0.99 -0.08 0.36 -1.76 116.55 108.53 1o7b n ASP 89 Ca -0.03 -0.98 -0.25 0.00 -1.51 0.00 0.00 54.79 52.02 1o7b n ASP 89 Cb 0.32 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.60 1o7b n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1o7b s ALA 90 N -3.04 0.87 -1.23 -1.67 0.00 -0.85 -0.85 121.76 114.99 1o7b s ALA 90 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 1o7b s ALA 90 Cb 0.00 -0.87 0.18 0.00 0.00 0.00 0.00 23.12 22.43 1o7b s ALA 90 CO 0.00 -0.61 1.58 0.66 0.00 0.00 0.00 175.76 177.40 1o7b n TYR 91 N 5.09 4.20 -0.46 0.00 4.01 -1.25 -0.83 117.16 127.92 1o7b n TYR 91 Ca -0.08 -3.16 -0.29 0.00 -0.16 0.00 0.00 57.90 54.21 1o7b n TYR 91 Cb 0.49 -2.06 0.24 0.00 -0.31 0.00 0.00 39.34 37.70 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 -2.26 -0.95 -0.30 0.00 6.14 0.72 0.16 117.35 120.86 1o7b s TYR 93 Ca 0.63 1.90 -0.13 0.00 0.64 0.00 0.00 57.07 60.10 1o7b s TYR 93 Cb -0.18 0.57 0.15 0.00 0.42 0.00 0.00 41.96 42.92 1o7b s TYR 93 CO 0.61 -0.47 0.87 1.21 0.64 0.00 0.00 175.55 178.41 1o7b s ASN 94 N 1.56 -0.79 0.59 4.32 3.84 -1.13 -1.03 114.94 122.30 1o7b s ASN 94 Ca -0.10 1.08 0.29 0.00 0.21 0.00 0.00 52.86 54.34 1o7b s ASN 94 Cb -0.05 1.89 1.75 0.00 -0.55 0.00 0.00 41.25 44.30 1o7b s ASN 94 CO -0.19 -0.15 2.20 1.55 -2.79 0.00 0.00 177.10 177.72 1o7b h PRO 95 N 7.68 0.00 -0.62 0.43 0.13 -1.92 0.18 132.00 137.89 1o7b h PRO 95 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1o7b h PRO 95 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1o7b h PRO 95 CO 0.09 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.58 1o7b n HIS 96 N -3.86 1.21 -1.00 1.56 8.25 -1.26 -4.46 115.22 115.66 1o7b n HIS 96 Ca -0.01 -0.58 -0.15 0.00 -0.26 0.00 0.00 57.72 56.71 1o7b n HIS 96 Cb 0.16 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1o7b n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o7b n ALA 97 N 1.11 5.53 1.94 -1.41 0.00 0.16 -5.08 120.51 122.75 1o7b n ALA 97 Ca 0.24 -1.73 0.16 0.00 0.00 0.00 0.00 53.44 52.10 1o7b n ALA 97 Cb 0.77 -1.71 0.92 0.00 0.00 0.00 0.00 19.45 19.43 1o7b n ALA 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13