#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 4.93 0.25 1.61 0.11 -1.26 -2.90 120.40 123.14 1o7b s VAL 2 Ca 0.00 1.80 0.06 0.00 -2.93 0.00 0.00 61.98 60.90 1o7b s VAL 2 Cb 0.00 -4.20 -0.05 0.00 -1.53 0.00 0.00 36.38 30.59 1o7b s VAL 2 CO 0.00 0.17 -0.05 -0.72 -3.33 0.00 0.00 175.10 171.17 1o7b s TYR 3 N 1.12 1.78 -0.07 1.54 1.13 0.34 -4.94 117.35 118.25 1o7b s TYR 3 Ca 0.45 -0.76 -0.11 0.00 -1.41 0.00 0.00 57.07 55.24 1o7b s TYR 3 Cb -0.19 -1.00 -0.05 0.00 -1.10 0.00 0.00 41.96 39.62 1o7b s TYR 3 CO 0.22 0.18 0.28 -3.38 -2.51 0.00 0.00 175.55 170.34 1o7b s HIS 4 N -3.15 3.64 -0.02 -3.49 -3.43 -1.26 0.13 115.29 107.72 1o7b s HIS 4 Ca 0.28 0.75 -0.12 0.00 -0.80 0.00 0.00 55.06 55.17 1o7b s HIS 4 Cb 0.04 -2.14 0.02 0.00 -1.43 0.00 0.00 32.58 29.06 1o7b s HIS 4 CO 0.10 0.64 0.24 1.03 -2.00 0.00 0.00 174.74 174.75 1o7b s ARG 5 N -0.89 0.57 0.00 -0.38 1.81 0.51 -4.88 118.95 115.69 1o7b s ARG 5 Ca 0.19 -0.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.98 1o7b s ARG 5 Cb -0.14 0.25 0.00 0.00 -0.45 0.00 0.00 34.95 34.61 1o7b s ARG 5 CO 0.08 -0.15 0.00 -0.85 -0.68 0.00 0.00 175.30 173.70 1o7b n GLU 6 N 1.47 1.40 -2.67 3.54 0.00 -1.26 -1.26 120.64 121.85 1o7b n GLU 6 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.69 1o7b n GLU 6 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 31.44 32.02 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 3.49 0.39 -1.84 0.00 -0.93 -4.88 121.76 115.99 1o7b s ALA 7 Ca 0.00 -0.81 0.10 0.00 0.00 0.00 0.00 51.96 51.26 1o7b s ALA 7 Cb 0.00 -2.42 0.79 0.00 0.00 0.00 0.00 23.12 21.50 1o7b s ALA 7 CO 0.00 -0.56 1.91 0.07 0.00 0.00 0.00 175.76 177.18 1o7b h ARG 8 N 0.12 0.17 0.00 0.00 0.11 -2.00 -2.06 114.38 110.72 1o7b h ARG 8 Ca -0.46 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1o7b h ARG 8 Cb 1.25 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1o7b h ARG 8 CO 0.60 0.36 -0.41 1.03 0.10 0.00 0.00 179.97 181.64 1o7b h SER 9 N 0.16 0.00 -2.75 0.08 0.87 -1.99 -3.49 113.55 106.43 1o7b h SER 9 Ca 0.03 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1o7b h SER 9 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1o7b h SER 9 CO 0.03 0.05 0.00 0.61 -0.53 0.00 0.00 176.83 176.99 1o7b n GLY 10 N 1.29 2.94 3.79 5.77 0.00 -0.78 -5.12 105.19 113.07 1o7b n GLY 10 Ca 0.04 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.04 4.12 -0.47 1.61 2.20 -1.26 -2.19 119.74 121.70 1o7b s LYS 11 Ca 0.00 1.45 -0.08 0.00 -0.36 0.00 0.00 55.97 56.98 1o7b s LYS 11 Cb 0.00 -2.45 0.01 0.00 -1.51 0.00 0.00 37.83 33.88 1o7b s LYS 11 CO 0.00 -0.17 0.55 0.66 -0.36 0.00 0.00 175.35 176.03 1o7b n TYR 12 N -0.24 -2.81 -0.04 4.03 4.02 -1.20 -4.93 117.16 115.99 1o7b n TYR 12 Ca 0.06 1.11 0.00 0.00 -0.01 0.00 0.00 57.90 59.06 1o7b n TYR 12 Cb 0.50 -3.73 0.00 0.00 -0.02 0.00 0.00 39.34 36.10 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 -0.86 0.00 -3.48 -0.72 2.85 -1.05 -4.71 118.16 110.20 1o7b n LYS 13 Ca 0.06 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.12 1o7b n LYS 13 Cb 0.44 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.81 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1o7b s LEU 14 N 0.00 3.98 0.00 -5.58 0.05 -1.07 -4.72 118.68 111.34 1o7b s LEU 14 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 54.13 54.15 1o7b s LEU 14 Cb 0.00 -2.87 0.00 0.00 -2.05 0.00 0.00 46.19 41.27 1o7b s LEU 14 CO 0.00 -0.40 0.00 0.35 -0.55 0.00 0.00 176.35 175.75 1o7b n THR 15 N -1.68 0.00 0.01 5.48 -2.24 -1.24 -0.46 114.28 114.16 1o7b n THR 15 Ca -0.02 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1o7b n THR 15 Cb 0.58 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.11 -0.56 4.78 3.20 -1.82 -0.31 116.97 122.15 1o7b h TYR 16 Ca 0.00 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 1o7b h TYR 16 Cb 0.00 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1o7b h TYR 16 CO 0.00 -0.07 0.38 0.00 -1.64 0.00 0.00 178.16 176.83 1o7b h ALA 17 N -1.26 2.13 0.37 1.82 0.00 -1.99 -0.97 119.26 119.36 1o7b h ALA 17 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1o7b h ALA 17 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1o7b h ALA 17 CO 0.02 -0.26 -0.18 0.93 0.00 0.00 0.00 179.25 179.76 1o7b h GLU 18 N 0.30 -0.47 -0.97 0.00 5.08 -1.93 -2.75 114.58 113.84 1o7b h GLU 18 Ca 0.26 0.03 0.29 0.00 -1.00 0.00 0.00 59.36 58.95 1o7b h GLU 18 Cb 0.64 0.11 -0.15 0.00 0.50 0.00 0.00 28.75 29.85 1o7b h GLU 18 CO -0.06 -0.21 0.47 0.00 -1.00 0.00 0.00 179.01 178.22 1o7b h ALA 19 N -0.84 1.75 -0.13 3.43 0.00 -0.49 0.24 119.26 123.22 1o7b h ALA 19 Ca -0.05 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1o7b h ALA 19 Cb 0.49 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1o7b h ALA 19 CO 0.08 -0.53 0.07 -0.22 0.00 0.00 0.00 179.25 178.65 1o7b h LYS 20 N 0.30 0.19 -0.60 0.00 3.64 -1.20 -2.15 116.57 116.76 1o7b h LYS 20 Ca 0.68 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 60.02 1o7b h LYS 20 Cb 1.49 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.25 1o7b h LYS 20 CO -0.62 0.24 0.33 0.00 -2.27 0.00 0.00 179.45 177.13 1o7b h ALA 21 N 0.94 0.77 -0.96 5.00 0.00 -0.31 0.61 119.26 125.31 1o7b h ALA 21 Ca 0.05 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1o7b h ALA 21 Cb 0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 1o7b h ALA 21 CO -0.01 0.29 0.60 0.28 0.00 0.00 0.00 179.25 180.41 1o7b h VAL 22 N 0.81 0.97 0.35 0.00 2.07 -0.84 -0.08 116.25 119.54 1o7b h VAL 22 Ca 0.21 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1o7b h VAL 22 Cb 0.05 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.70 1o7b h VAL 22 CO -0.03 0.18 -0.17 0.00 0.02 0.00 0.00 177.57 177.57 1o7b n GLU 24 N -5.10 0.04 -0.11 0.00 1.02 0.11 -1.45 120.64 115.15 1o7b n GLU 24 Ca -0.08 0.46 -0.23 0.00 -0.02 0.00 0.00 57.16 57.29 1o7b n GLU 24 Cb 0.25 -1.76 -0.11 0.00 -0.02 0.00 0.00 31.44 29.80 1o7b n GLU 24 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1o7b n PHE 25 N -1.64 0.82 1.57 -0.32 7.35 -0.06 -4.15 117.46 121.03 1o7b n PHE 25 Ca -0.00 0.35 0.05 0.00 -0.76 0.00 0.00 57.45 57.08 1o7b n PHE 25 Cb 0.14 -1.08 0.28 0.00 0.35 0.00 0.00 39.48 39.17 1o7b n PHE 25 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1o7b n GLU 26 N -4.38 0.79 -0.96 -4.13 1.02 -0.56 -4.84 120.64 107.57 1o7b n GLU 26 Ca -0.37 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 1o7b n GLU 26 Cb 0.73 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 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 0.39 0.09 0.00 0.62 0.00 -0.75 -5.01 105.19 100.53 1o7b n GLY 27 Ca 0.07 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.63 -1.74 3.30 -0.02 0.00 -0.53 -4.51 105.19 101.06 1o7b n GLY 28 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.64 0.96 -0.09 1.61 -3.43 -0.94 0.07 115.29 110.83 1o7b s HIS 29 Ca 0.00 -1.22 -0.29 0.00 -0.80 0.00 0.00 55.06 52.75 1o7b s HIS 29 Cb 0.00 -0.37 -0.06 0.00 -1.43 0.00 0.00 32.58 30.72 1o7b s HIS 29 CO 0.00 -0.73 1.84 -0.51 -2.00 0.00 0.00 174.74 173.34 1o7b s LEU 30 N -3.13 4.13 0.00 5.38 1.43 -1.26 -1.22 118.68 124.01 1o7b s LEU 30 Ca 0.35 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 1o7b s LEU 30 Cb 0.05 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1o7b s LEU 30 CO 0.11 -1.21 0.00 0.00 0.23 0.00 0.00 176.35 175.49 1o7b n ALA 31 N 8.29 0.00 -2.23 4.21 0.00 -0.93 -4.69 120.51 125.16 1o7b n ALA 31 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 1o7b n ALA 31 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.61 0.95 0.16 0.00 -4.23 -1.26 -3.86 115.64 106.78 1o7b s THR 32 Ca 0.00 -2.01 -0.21 0.00 -1.18 0.00 0.00 61.69 58.29 1o7b s THR 32 Cb 0.00 -1.86 0.07 0.00 1.34 0.00 0.00 72.50 72.06 1o7b s THR 32 CO 0.00 -0.73 1.63 0.22 -0.54 0.00 0.00 174.62 175.19 1o7b h TYR 33 N 2.81 -0.62 -0.52 3.99 3.20 -1.97 0.77 116.97 124.63 1o7b h TYR 33 Ca -0.36 0.05 0.09 0.00 3.14 0.00 0.00 58.73 61.64 1o7b h TYR 33 Cb 1.19 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 39.71 1o7b h TYR 33 CO 0.61 -0.31 0.11 -0.22 -1.64 0.00 0.00 178.16 176.70 1o7b h LYS 34 N -0.19 0.24 -0.59 1.82 3.64 -2.00 0.93 116.57 120.42 1o7b h LYS 34 Ca 0.18 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1o7b h LYS 34 Cb 0.46 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1o7b h LYS 34 CO -0.46 0.16 0.39 1.96 -2.27 0.00 0.00 179.45 179.22 1o7b h GLN 35 N 0.24 0.72 -0.11 1.90 4.20 -1.59 -0.05 115.11 120.43 1o7b h GLN 35 Ca 0.26 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 1o7b h GLN 35 Cb 0.36 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1o7b h GLN 35 CO -0.34 0.47 -0.19 1.25 -0.67 0.00 0.00 178.83 179.36 1o7b h LEU 36 N 0.74 0.17 0.62 1.46 7.12 0.14 -2.34 115.31 123.21 1o7b h LEU 36 Ca 0.23 -0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.17 1o7b h LEU 36 Cb 0.00 -0.04 0.01 0.00 -0.53 0.00 0.00 40.66 40.10 1o7b h LEU 36 CO -0.06 0.37 -0.30 -0.08 -0.13 0.00 0.00 178.44 178.25 1o7b h GLU 37 N 0.16 -0.80 -0.79 1.25 4.81 0.02 -1.07 114.58 118.16 1o7b h GLU 37 Ca 0.03 0.05 0.22 0.00 -0.13 0.00 0.00 59.36 59.53 1o7b h GLU 37 Cb 0.43 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1o7b h GLU 37 CO 0.03 -0.49 0.56 0.00 -0.73 0.00 0.00 179.01 178.38 1o7b h ALA 38 N -0.75 2.60 -0.01 2.92 0.00 -1.33 0.79 119.26 123.48 1o7b h ALA 38 Ca -0.09 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1o7b h ALA 38 Cb 0.68 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1o7b h ALA 38 CO 0.14 -0.83 -0.66 0.00 0.00 0.00 0.00 179.25 177.90 1o7b h ALA 39 N 1.62 0.89 -0.12 0.00 0.00 -1.05 -3.08 119.26 117.52 1o7b h ALA 39 Ca 0.38 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 1o7b h ALA 39 Cb 1.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1o7b h ALA 39 CO -0.04 0.81 -0.66 -0.09 0.00 0.00 0.00 179.25 179.27 1o7b h ARG 40 N 0.02 0.49 -0.93 0.00 2.43 0.19 -1.38 114.38 115.20 1o7b h ARG 40 Ca -0.01 -0.36 0.23 0.00 -0.81 0.00 0.00 59.98 59.03 1o7b h ARG 40 Cb 1.17 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.72 1o7b h ARG 40 CO 0.09 0.99 0.63 0.87 -1.51 0.00 0.00 179.97 181.03 1o7b h LYS 41 N 0.35 0.30 0.00 0.20 1.57 -1.15 0.16 116.57 118.00 1o7b h LYS 41 Ca -0.02 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 1o7b h LYS 41 Cb 1.23 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 1o7b h LYS 41 CO 0.12 0.20 -1.29 -0.84 -0.57 0.00 0.00 179.45 177.07 1o7b h ILE 42 N 0.31 0.80 0.00 1.86 -0.00 -1.64 -3.48 117.51 115.36 1o7b h ILE 42 Ca 0.48 -2.40 0.00 0.00 -0.00 0.00 0.00 64.86 62.95 1o7b h ILE 42 Cb 1.37 2.30 0.00 0.00 -0.00 0.00 0.00 36.82 40.49 1o7b h ILE 42 CO -0.16 0.46 0.00 0.61 -0.00 0.00 0.00 178.15 179.06 1o7b n GLY 43 N 1.40 0.98 3.49 0.16 0.00 0.58 -5.07 105.19 106.73 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 -0.65 2.94 -0.33 1.61 5.36 -0.54 -4.97 117.98 121.39 1o7b s PHE 44 Ca 0.00 -1.24 -0.07 0.00 -0.96 0.00 0.00 56.93 54.67 1o7b s PHE 44 Cb 0.00 -4.42 0.03 0.00 -0.34 0.00 0.00 43.02 38.30 1o7b s PHE 44 CO 0.00 -1.63 0.11 -1.58 -1.46 0.00 0.00 175.22 170.65 1o7b s HIS 45 N 3.40 3.24 -0.09 10.12 5.65 -1.26 -4.66 115.29 131.69 1o7b s HIS 45 Ca 0.37 -1.33 -0.03 0.00 0.25 0.00 0.00 55.06 54.32 1o7b s HIS 45 Cb -0.03 -2.28 0.04 0.00 -1.18 0.00 0.00 32.58 29.13 1o7b s HIS 45 CO -0.09 -0.70 0.09 0.08 -0.65 0.00 0.00 174.74 173.47 1o7b s VAL 46 N 1.42 -0.14 -1.85 0.89 1.01 -0.71 -4.90 120.40 116.12 1o7b s VAL 46 Ca -0.01 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1o7b s VAL 46 Cb -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1o7b s VAL 46 CO 0.03 0.05 0.63 0.00 0.00 0.00 0.00 175.10 175.81 1o7b s ALA 48 N -1.85 4.11 -0.08 0.00 0.00 -1.26 -4.92 121.76 117.76 1o7b s ALA 48 Ca 0.00 -3.39 -0.41 0.00 0.00 0.00 0.00 51.96 48.17 1o7b s ALA 48 Cb 0.00 -3.43 -0.19 0.00 0.00 0.00 0.00 23.12 19.50 1o7b s ALA 48 CO 0.00 -2.25 1.20 0.00 0.00 0.00 0.00 175.76 174.71 1o7b n ALA 49 N 3.75 -2.87 -3.05 0.00 0.00 -1.25 -4.62 120.51 112.47 1o7b n ALA 49 Ca 0.15 0.57 -0.35 0.00 0.00 0.00 0.00 53.44 53.81 1o7b n ALA 49 Cb 0.45 -1.84 -0.12 0.00 0.00 0.00 0.00 19.45 17.94 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 0.63 1.73 0.51 0.00 0.00 -0.04 0.25 107.32 110.40 1o7b s GLY 50 Ca 0.93 -0.94 -0.22 0.00 0.00 0.00 0.00 44.72 44.48 1o7b s GLY 50 CO 0.60 0.17 1.28 -0.98 0.00 0.00 0.00 173.10 174.17 1o7b s TRP 51 N 0.84 2.51 0.28 1.90 0.52 -1.03 -3.83 118.94 120.12 1o7b s TRP 51 Ca 0.01 1.44 -0.03 0.00 0.02 0.00 0.00 56.10 57.53 1o7b s TRP 51 Cb -0.14 -3.64 0.01 0.00 -1.15 0.00 0.00 33.47 28.55 1o7b s TRP 51 CO 0.02 -2.37 0.41 0.00 0.02 0.00 0.00 176.95 175.03 1o7b n MET 52 N -0.84 0.60 -1.29 4.98 0.00 0.18 -4.05 117.12 116.70 1o7b n MET 52 Ca 0.09 -2.11 -0.38 0.00 0.00 0.00 0.00 57.70 55.30 1o7b n MET 52 Cb 0.46 2.10 0.03 0.00 0.00 0.00 0.00 33.22 35.81 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 -1.20 -2.60 -1.12 3.17 0.00 -1.25 -0.78 120.51 116.73 1o7b n ALA 53 Ca -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 1o7b n ALA 53 Cb 0.46 -1.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1o7b n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o7b n LYS 54 N 0.95 -1.60 -1.74 0.00 4.01 -1.26 -1.77 118.16 116.75 1o7b n LYS 54 Ca 0.08 0.59 -0.14 0.00 -0.51 0.00 0.00 58.31 58.33 1o7b n LYS 54 Cb 0.48 -4.87 -0.04 0.00 -0.51 0.00 0.00 35.03 30.09 1o7b n LYS 54 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1o7b n GLY 55 N 0.15 0.85 3.76 0.72 0.00 0.04 -4.80 105.19 105.91 1o7b n GLY 55 Ca -0.04 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.78 4.55 0.02 1.61 3.52 -0.73 -4.62 118.95 119.53 1o7b s ARG 56 Ca 0.00 1.78 0.04 0.00 -0.13 0.00 0.00 55.73 57.42 1o7b s ARG 56 Cb 0.00 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1o7b s ARG 56 CO 0.00 0.13 -0.13 0.14 -0.81 0.00 0.00 175.30 174.64 1o7b s VAL 57 N -1.24 1.01 -0.00 7.11 -7.23 -1.26 -0.65 120.40 118.15 1o7b s VAL 57 Ca 0.47 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 59.50 1o7b s VAL 57 Cb -0.31 -0.91 0.10 0.00 0.56 0.00 0.00 36.38 35.82 1o7b s VAL 57 CO 0.40 0.06 0.92 -0.83 -0.31 0.00 0.00 175.10 175.34 1o7b s GLY 58 N -0.90 -0.43 -0.26 2.32 0.00 -1.25 -3.72 107.32 103.08 1o7b s GLY 58 Ca 0.02 0.95 -0.03 0.00 0.00 0.00 0.00 44.72 45.66 1o7b s GLY 58 CO 0.01 0.31 0.20 -2.52 0.00 0.00 0.00 173.10 171.10 1o7b s TYR 59 N -3.08 -0.09 -0.28 1.90 1.13 -0.63 -0.86 117.35 115.43 1o7b s TYR 59 Ca 0.06 -0.35 -0.28 0.00 -1.41 0.00 0.00 57.07 55.09 1o7b s TYR 59 Cb -0.01 -0.61 -0.03 0.00 -1.10 0.00 0.00 41.96 40.21 1o7b s TYR 59 CO -0.07 -0.79 1.89 -1.25 -2.51 0.00 0.00 175.55 172.82 1o7b s PRO 60 N 2.24 3.34 -0.61 -3.49 0.04 -1.24 -2.22 135.00 133.07 1o7b s PRO 60 Ca 0.08 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 1o7b s PRO 60 Cb -0.15 -4.23 0.16 0.00 0.04 0.00 0.00 34.50 30.32 1o7b s PRO 60 CO -0.28 -1.85 0.52 0.42 0.04 0.00 0.00 177.00 175.86 1o7b s ILE 61 N 7.04 4.86 -0.06 0.56 -1.09 -0.91 -1.74 121.20 129.85 1o7b s ILE 61 Ca 0.85 -2.01 0.11 0.00 -2.23 0.00 0.00 60.65 57.36 1o7b s ILE 61 Cb -0.26 -4.11 -0.24 0.00 -1.58 0.00 0.00 42.46 36.28 1o7b s ILE 61 CO 0.34 -0.89 0.58 0.52 -1.23 0.00 0.00 174.94 174.26 1o7b n VAL 62 N 4.60 1.62 -3.86 2.92 0.31 -1.26 -2.77 118.33 119.89 1o7b n VAL 62 Ca -0.02 -0.78 -0.33 0.00 -0.01 0.00 0.00 64.34 63.20 1o7b n VAL 62 Cb 0.42 -1.09 -0.12 0.00 -0.91 0.00 0.00 33.84 32.14 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 -2.59 2.18 1.14 5.55 2.36 -1.26 -4.97 119.74 122.16 1o7b s LYS 63 Ca -0.07 -2.53 -0.13 0.00 -2.55 0.00 0.00 55.97 50.69 1o7b s LYS 63 Cb 0.08 -3.48 0.27 0.00 -1.05 0.00 0.00 37.83 33.64 1o7b s LYS 63 CO 0.82 -1.12 1.04 -1.25 1.55 0.00 0.00 175.35 176.38 1o7b s PRO 64 N -0.10 -0.72 0.00 4.03 0.04 -1.26 -4.61 135.00 132.38 1o7b s PRO 64 Ca 0.16 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1o7b s PRO 64 Cb -0.23 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1o7b s PRO 64 CO -0.02 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 173.83 1o7b n GLY 65 N 0.64 1.72 0.00 0.56 0.00 -1.26 -4.73 105.19 102.11 1o7b n GLY 65 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.29 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 0.76 0.00 1.61 -0.04 -1.26 -4.02 135.00 132.05 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 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1o7b n PRO 66 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1o7b n ASN 67 N -0.56 0.00 0.16 3.54 0.23 -1.26 -5.05 115.26 112.32 1o7b n ASN 67 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 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 -2.00 1.48 0.00 0.00 0.00 -1.26 -4.86 107.32 100.68 1o7b s GLY 69 Ca 0.00 0.31 0.22 0.00 0.00 0.00 0.00 44.72 45.25 1o7b s GLY 69 CO 0.00 2.60 1.83 0.69 0.00 0.00 0.00 173.10 178.22 1o7b n PHE 70 N 7.27 0.00 0.00 1.90 3.01 -1.26 -4.65 117.46 123.73 1o7b n PHE 70 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1o7b n PHE 70 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1o7b n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o7b n GLY 71 N 0.82 2.90 3.98 1.37 0.00 -1.26 -5.10 105.19 107.90 1o7b n GLY 71 Ca 0.16 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 2.10 -0.19 1.61 1.02 -1.26 -5.07 119.74 117.95 1o7b s LYS 72 Ca 0.00 -0.96 -0.00 0.00 0.02 0.00 0.00 55.97 55.03 1o7b s LYS 72 Cb 0.00 -2.41 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1o7b s LYS 72 CO 0.00 -1.10 -0.15 0.95 -0.92 0.00 0.00 175.35 174.14 1o7b s THR 73 N -2.96 2.55 0.00 2.17 -4.23 -1.26 -4.85 115.64 107.06 1o7b s THR 73 Ca 0.62 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1o7b s THR 73 Cb -0.08 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.66 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 4.54 1.63 3.65 3.99 0.00 -1.11 -4.97 105.19 112.92 1o7b n GLY 74 Ca -0.20 -1.42 -0.44 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.39 0.66 -3.00 -0.61 5.41 -1.26 -2.13 119.36 117.03 1o7b n ILE 75 Ca 0.00 -0.18 -0.44 0.00 1.00 0.00 0.00 62.75 63.12 1o7b n ILE 75 Cb 0.00 -2.25 -0.01 0.00 -0.71 0.00 0.00 39.64 36.66 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 5.03 5.03 -0.26 1.39 1.01 -0.94 -4.83 121.20 127.63 1o7b s ILE 76 Ca 0.92 -2.23 -0.02 0.00 0.00 0.00 0.00 60.65 59.32 1o7b s ILE 76 Cb -0.48 -4.79 0.03 0.00 0.01 0.00 0.00 42.46 37.23 1o7b s ILE 76 CO 0.43 -1.49 -0.04 -0.62 0.00 0.00 0.00 174.94 173.23 1o7b s ASP 77 N 3.00 4.50 -0.10 3.58 -1.08 -1.26 -1.61 116.67 123.70 1o7b s ASP 77 Ca 0.35 -0.99 0.11 0.00 -0.52 0.00 0.00 52.55 51.50 1o7b s ASP 77 Cb -0.05 -1.68 0.50 0.00 -1.46 0.00 0.00 42.92 40.23 1o7b s ASP 77 CO -0.06 -0.17 1.33 -1.22 0.52 0.00 0.00 175.17 175.58 1o7b n TYR 78 N 4.66 1.12 -0.54 -5.34 4.02 -1.24 -5.03 117.16 114.81 1o7b n TYR 78 Ca -0.15 -0.42 0.07 0.00 -0.01 0.00 0.00 57.90 57.38 1o7b n TYR 78 Cb 0.46 -0.25 -0.02 0.00 -0.02 0.00 0.00 39.34 39.51 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 0.70 -1.88 3.63 2.72 0.00 -1.26 -4.86 105.19 104.23 1o7b n GLY 79 Ca 0.17 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.73 3.50 -0.51 -0.61 2.08 -1.26 -4.55 119.36 115.27 1o7b n ILE 80 Ca -0.01 -0.44 0.11 0.00 0.56 0.00 0.00 62.75 62.96 1o7b n ILE 80 Cb 0.25 -1.16 0.34 0.00 -0.75 0.00 0.00 39.64 38.32 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 -1.51 3.29 -1.80 0.38 5.12 -1.26 -4.92 116.66 115.97 1o7b n ARG 81 Ca 0.14 -2.79 -0.20 0.00 -1.93 0.00 0.00 57.85 53.06 1o7b n ARG 81 Cb 0.48 -1.75 -0.06 0.00 -1.16 0.00 0.00 32.46 29.97 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 1.36 -1.58 -3.22 0.55 7.99 -1.26 -4.91 117.00 115.93 1o7b n LEU 82 Ca 0.25 0.35 0.04 0.00 -0.01 0.00 0.00 56.01 56.65 1o7b n LEU 82 Cb 0.77 -2.78 -0.03 0.00 -0.11 0.00 0.00 43.42 41.28 1o7b n LEU 82 CO 0.21 -0.81 0.63 0.21 -1.51 0.00 0.00 177.39 176.12 1o7b s ASN 83 N -2.60 -0.45 0.00 -1.43 2.47 -1.26 -5.03 114.94 106.63 1o7b s ASN 83 Ca 0.00 0.41 -0.04 0.00 0.42 0.00 0.00 52.86 53.65 1o7b s ASN 83 Cb 0.00 1.43 -0.20 0.00 -1.45 0.00 0.00 41.25 41.04 1o7b s ASN 83 CO 0.00 -0.09 2.94 0.54 -3.72 0.00 0.00 177.10 176.77 1o7b n ARG 84 N 5.20 1.57 0.00 0.43 3.00 -1.26 -3.49 116.66 122.11 1o7b n ARG 84 Ca -0.07 -0.73 0.00 0.00 -0.01 0.00 0.00 57.85 57.04 1o7b n ARG 84 Cb 0.54 -1.80 0.00 0.00 0.00 0.00 0.00 32.46 31.19 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 2.44 0.70 -4.72 0.55 2.88 -1.26 -3.87 113.62 110.34 1o7b n SER 85 Ca 0.31 -0.93 -0.31 0.00 -1.33 0.00 0.00 58.87 56.61 1o7b n SER 85 Cb 0.73 0.09 0.13 0.00 -0.75 0.00 0.00 64.21 64.41 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 -0.09 1.61 -0.22 -1.46 0.41 -1.23 -4.85 118.70 112.87 1o7b s GLU 86 Ca 0.00 1.31 -0.08 0.00 -0.41 0.00 0.00 54.97 55.79 1o7b s GLU 86 Cb 0.00 -1.81 -0.04 0.00 -1.78 0.00 0.00 34.13 30.50 1o7b s GLU 86 CO 0.00 -2.14 0.09 -0.98 -0.49 0.00 0.00 175.26 171.73 1o7b s ARG 87 N -4.79 3.87 0.00 1.61 1.70 -1.24 -3.59 118.95 116.51 1o7b s ARG 87 Ca 0.64 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 55.52 1o7b s ARG 87 Cb -0.20 -3.33 0.00 0.00 -0.57 0.00 0.00 34.95 30.86 1o7b s ARG 87 CO 0.57 0.05 0.00 0.91 -1.08 0.00 0.00 175.30 175.76 1o7b n TRP 88 N 4.22 0.00 -1.19 5.89 5.03 0.39 -4.54 117.44 127.25 1o7b n TRP 88 Ca -0.16 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.37 1o7b n TRP 88 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.80 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 -3.62 -0.99 9.92 0.14 -2.52 116.55 119.48 1o7b n ASP 89 Ca 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.22 1o7b n ASP 89 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 -2.09 -2.14 -1.21 2.24 0.00 -0.39 -2.46 121.76 115.70 1o7b s ALA 90 Ca 0.00 2.29 -0.10 0.00 0.00 0.00 0.00 51.96 54.15 1o7b s ALA 90 Cb 0.00 -1.64 0.20 0.00 0.00 0.00 0.00 23.12 21.68 1o7b s ALA 90 CO 0.00 -0.47 1.59 0.66 0.00 0.00 0.00 175.76 177.53 1o7b n TYR 91 N 4.24 3.83 -0.99 0.00 4.01 -1.26 -0.36 117.16 126.62 1o7b n TYR 91 Ca -0.18 -3.09 -0.35 0.00 -0.16 0.00 0.00 57.90 54.13 1o7b n TYR 91 Cb 0.57 -1.92 0.08 0.00 -0.31 0.00 0.00 39.34 37.76 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 -2.15 -0.69 -0.30 0.00 6.14 -0.36 0.13 117.35 120.12 1o7b s TYR 93 Ca 0.54 1.45 -0.14 0.00 0.64 0.00 0.00 57.07 59.56 1o7b s TYR 93 Cb -0.25 0.34 0.17 0.00 0.42 0.00 0.00 41.96 42.63 1o7b s TYR 93 CO 0.70 -0.38 0.98 -0.80 0.64 0.00 0.00 175.55 176.69 1o7b s ASN 94 N 1.43 -0.59 0.00 4.32 -0.87 -1.14 -2.21 114.94 115.88 1o7b s ASN 94 Ca -0.09 0.75 0.10 0.00 -1.57 0.00 0.00 52.86 52.04 1o7b s ASN 94 Cb -0.08 1.65 0.53 0.00 -0.02 0.00 0.00 41.25 43.34 1o7b s ASN 94 CO -0.14 -0.11 1.10 -0.81 -2.57 0.00 0.00 177.10 174.57 1o7b n PRO 95 N 5.03 0.23 -0.00 -0.60 -0.04 -1.26 -1.43 135.00 136.92 1o7b n PRO 95 Ca -0.09 0.09 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1o7b n PRO 95 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.13 0.00 -1.39 0.54 -0.00 -1.26 -4.75 115.22 107.23 1o7b n HIS 96 Ca 0.06 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.97 1o7b n HIS 96 Cb 0.05 -0.01 -0.08 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 -1.12 6.74 -0.19 1.57 0.00 -0.51 -5.14 120.51 121.84 1o7b n ALA 97 Ca 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.50 1o7b n ALA 97 Cb 0.04 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 16.92 1o7b n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67