#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 5.02 0.35 1.61 0.11 -1.26 -3.03 120.40 123.20 1o7b s VAL 2 Ca 0.00 1.44 0.05 0.00 -2.93 0.00 0.00 61.98 60.54 1o7b s VAL 2 Cb 0.00 -4.04 -0.07 0.00 -1.53 0.00 0.00 36.38 30.75 1o7b s VAL 2 CO 0.00 0.27 0.02 -0.72 -3.33 0.00 0.00 175.10 171.35 1o7b s TYR 3 N 0.66 2.19 -0.08 1.54 1.13 0.56 -4.92 117.35 118.44 1o7b s TYR 3 Ca 0.37 -0.81 0.01 0.00 -1.41 0.00 0.00 57.07 55.23 1o7b s TYR 3 Cb -0.18 -1.46 -0.03 0.00 -1.10 0.00 0.00 41.96 39.19 1o7b s TYR 3 CO 0.18 0.22 -0.08 -1.58 -2.51 0.00 0.00 175.55 171.78 1o7b s HIS 4 N -3.02 2.90 0.05 -3.49 5.65 -1.26 0.17 115.29 116.29 1o7b s HIS 4 Ca 0.35 -0.11 -0.07 0.00 0.25 0.00 0.00 55.06 55.48 1o7b s HIS 4 Cb 0.09 -1.74 -0.01 0.00 -1.18 0.00 0.00 32.58 29.73 1o7b s HIS 4 CO 0.16 0.21 0.12 1.03 -0.65 0.00 0.00 174.74 175.61 1o7b s ARG 5 N -0.53 0.68 0.00 2.88 1.81 0.84 -4.92 118.95 119.71 1o7b s ARG 5 Ca 0.08 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.24 1o7b s ARG 5 Cb -0.12 0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.65 1o7b s ARG 5 CO 0.02 -0.19 0.00 -0.85 -0.68 0.00 0.00 175.30 173.60 1o7b n GLU 6 N 0.43 2.07 -2.45 3.54 0.00 -1.26 -1.06 120.64 121.90 1o7b n GLU 6 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.70 1o7b n GLU 6 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 32.04 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 3.32 0.30 -1.84 0.00 -0.84 -4.92 121.76 115.78 1o7b s ALA 7 Ca 0.00 -0.37 0.14 0.00 0.00 0.00 0.00 51.96 51.73 1o7b s ALA 7 Cb 0.00 -2.73 0.63 0.00 0.00 0.00 0.00 23.12 21.02 1o7b s ALA 7 CO 0.00 -0.41 1.75 0.07 0.00 0.00 0.00 175.76 177.16 1o7b h ARG 8 N 0.16 0.00 0.00 0.00 0.11 -2.00 -2.60 114.38 110.05 1o7b h ARG 8 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1o7b h ARG 8 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1o7b h ARG 8 CO 0.62 0.44 -0.40 -1.13 0.10 0.00 0.00 179.97 179.60 1o7b n SER 9 N -3.86 0.73 0.00 0.08 3.41 -1.26 -5.01 113.62 107.71 1o7b n SER 9 Ca -0.01 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1o7b n SER 9 Cb 0.49 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 2.66 3.85 5.00 0.00 -0.98 -5.14 105.19 111.92 1o7b n GLY 10 Ca 0.04 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.07 3.93 -0.70 1.61 2.20 -1.26 -1.99 119.74 121.46 1o7b s LYS 11 Ca 0.00 0.74 -0.00 0.00 -0.36 0.00 0.00 55.97 56.34 1o7b s LYS 11 Cb 0.00 -2.29 -0.01 0.00 -1.51 0.00 0.00 37.83 34.02 1o7b s LYS 11 CO 0.00 -0.07 0.66 0.66 -0.36 0.00 0.00 175.35 176.23 1o7b n TYR 12 N -1.13 -2.69 -1.19 4.03 4.02 -1.26 -4.92 117.16 114.02 1o7b n TYR 12 Ca 0.04 1.02 -0.00 0.00 -0.01 0.00 0.00 57.90 58.95 1o7b n TYR 12 Cb 0.54 -3.90 -0.00 0.00 -0.02 0.00 0.00 39.34 35.95 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 -1.83 0.00 -3.79 -0.72 2.85 -1.13 -4.67 118.16 108.87 1o7b n LYS 13 Ca -0.01 -0.02 -0.33 0.00 -1.05 0.00 0.00 58.31 56.91 1o7b n LYS 13 Cb 0.51 0.07 -0.05 0.00 -0.65 0.00 0.00 35.03 34.91 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 4.34 0.00 -5.58 1.43 0.39 -4.78 118.68 114.48 1o7b s LEU 14 Ca 0.00 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 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 0.17 0.00 0.35 0.23 0.00 0.00 176.35 177.10 1o7b n THR 15 N 0.57 0.00 -0.07 5.49 -2.24 -1.26 -1.98 114.28 114.78 1o7b n THR 15 Ca -0.07 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1o7b n THR 15 Cb 0.52 -0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 67.78 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 -1.81 -2.52 116.97 120.62 1o7b h TYR 16 Ca 0.00 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 1o7b h TYR 16 Cb 0.00 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1o7b h TYR 16 CO 0.00 0.88 -0.52 0.00 -1.64 0.00 0.00 178.16 176.88 1o7b h ALA 17 N -0.35 1.13 0.11 1.82 0.00 -1.98 -2.55 119.26 117.44 1o7b h ALA 17 Ca -0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1o7b h ALA 17 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1o7b h ALA 17 CO -0.05 0.66 -0.05 0.93 0.00 0.00 0.00 179.25 180.73 1o7b h GLU 18 N 0.00 -0.15 -0.65 0.00 5.08 -1.96 -2.49 114.58 114.41 1o7b h GLU 18 Ca -0.01 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1o7b h GLU 18 Cb 0.93 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.13 1o7b h GLU 18 CO 0.07 0.34 0.20 0.00 -1.00 0.00 0.00 179.01 178.62 1o7b h ALA 19 N -0.07 0.84 -0.76 3.43 0.00 -1.46 0.30 119.26 121.54 1o7b h ALA 19 Ca -0.02 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1o7b h ALA 19 Cb 0.56 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1o7b h ALA 19 CO 0.03 -0.25 0.47 -0.22 0.00 0.00 0.00 179.25 179.27 1o7b h LYS 20 N 0.35 1.03 -0.11 0.00 3.64 -1.51 -2.06 116.57 117.91 1o7b h LYS 20 Ca 0.34 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1o7b h LYS 20 Cb 0.50 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1o7b h LYS 20 CO -0.38 0.72 0.03 0.00 -2.27 0.00 0.00 179.45 177.55 1o7b h ALA 21 N 1.25 0.14 -0.87 5.00 0.00 -0.67 -1.81 119.26 122.30 1o7b h ALA 21 Ca 0.27 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.20 1o7b h ALA 21 Cb -0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1o7b h ALA 21 CO -0.05 -0.25 0.56 0.28 0.00 0.00 0.00 179.25 179.79 1o7b h VAL 22 N -0.01 0.86 0.44 0.00 2.07 -0.80 -1.21 116.25 117.61 1o7b h VAL 22 Ca 0.03 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1o7b h VAL 22 Cb 0.21 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1o7b h VAL 22 CO -0.00 0.13 -0.21 0.00 0.02 0.00 0.00 177.57 177.50 1o7b h GLU 24 N -0.91 0.00 0.00 0.00 5.08 0.09 0.15 114.58 118.99 1o7b h GLU 24 Ca -0.06 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.03 1o7b h GLU 24 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1o7b h GLU 24 CO 0.10 0.00 -1.55 0.35 -1.00 0.00 0.00 179.01 176.91 1o7b h PHE 25 N 0.00 0.00 -0.76 4.33 3.57 -0.98 -3.34 116.94 119.76 1o7b h PHE 25 Ca 0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 1o7b h PHE 25 Cb 0.34 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.94 1o7b h PHE 25 CO 0.00 0.96 0.28 0.39 -2.23 0.00 0.00 178.31 177.71 1o7b n GLU 26 N -3.08 3.75 -2.71 1.11 1.02 0.40 -4.94 120.64 116.18 1o7b n GLU 26 Ca -0.13 -3.10 -0.04 0.00 -0.02 0.00 0.00 57.16 53.87 1o7b n GLU 26 Cb 1.01 -2.23 0.02 0.00 -0.02 0.00 0.00 31.44 30.22 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 -0.16 -0.88 0.00 0.62 0.00 -0.82 -5.02 105.19 98.93 1o7b n GLY 27 Ca 0.42 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -1.48 -1.72 3.48 -0.02 0.00 -0.34 -4.48 105.19 100.62 1o7b n GLY 28 Ca -0.02 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.14 0.65 -0.25 1.61 -3.43 -0.94 -0.48 115.29 110.31 1o7b s HIS 29 Ca 0.00 -0.96 -0.28 0.00 -0.80 0.00 0.00 55.06 53.02 1o7b s HIS 29 Cb 0.00 -0.04 -0.05 0.00 -1.43 0.00 0.00 32.58 31.06 1o7b s HIS 29 CO 0.00 -0.92 2.23 -0.51 -2.00 0.00 0.00 174.74 173.55 1o7b s LEU 30 N -3.08 3.43 0.00 5.38 1.43 -1.26 -1.13 118.68 123.45 1o7b s LEU 30 Ca 0.28 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1o7b s LEU 30 Cb 0.01 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1o7b s LEU 30 CO 0.11 -2.06 0.00 0.00 0.23 0.00 0.00 176.35 174.63 1o7b n ALA 31 N 12.14 0.00 -2.30 4.21 0.00 -0.95 -4.47 120.51 129.14 1o7b n ALA 31 Ca 0.30 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.59 1o7b n ALA 31 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.64 0.67 0.13 0.00 -4.23 -1.26 -3.18 115.64 107.14 1o7b s THR 32 Ca 0.00 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.30 1o7b s THR 32 Cb 0.00 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 1o7b s THR 32 CO 0.00 -0.19 1.69 0.22 -0.54 0.00 0.00 174.62 175.80 1o7b h TYR 33 N 2.49 -0.21 -0.45 3.99 3.20 -1.98 -0.06 116.97 123.95 1o7b h TYR 33 Ca -0.38 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.57 1o7b h TYR 33 Cb 1.23 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.57 1o7b h TYR 33 CO 0.50 -0.14 0.15 0.87 -1.64 0.00 0.00 178.16 177.90 1o7b h LYS 34 N -0.08 0.31 -0.69 1.82 1.57 -2.00 -0.59 116.57 116.91 1o7b h LYS 34 Ca 0.09 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1o7b h LYS 34 Cb 0.22 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1o7b h LYS 34 CO -0.21 0.20 0.46 1.96 -0.57 0.00 0.00 179.45 181.29 1o7b h GLN 35 N 0.32 0.82 -0.10 3.15 4.20 -1.82 -0.06 115.11 121.63 1o7b h GLN 35 Ca 0.21 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1o7b h GLN 35 Cb 0.21 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1o7b h GLN 35 CO -0.22 0.55 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.31 1o7b h LEU 36 N 0.85 0.13 0.61 1.46 -0.00 0.54 -2.26 115.31 116.64 1o7b h LEU 36 Ca 0.27 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 58.10 1o7b h LEU 36 Cb 0.04 -0.03 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1o7b h LEU 36 CO -0.07 0.26 -0.29 -0.08 -0.00 0.00 0.00 178.44 178.26 1o7b h GLU 37 N 0.14 -0.79 -0.76 1.13 4.81 -0.29 0.14 114.58 118.96 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 0.28 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1o7b h GLU 37 CO 0.02 -0.48 0.59 0.00 -0.73 0.00 0.00 179.01 178.41 1o7b h ALA 38 N -0.91 2.66 0.00 2.92 0.00 -1.31 0.77 119.26 123.38 1o7b h ALA 38 Ca -0.08 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1o7b h ALA 38 Cb 0.68 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1o7b h ALA 38 CO 0.14 -0.98 -1.07 0.00 0.00 0.00 0.00 179.25 177.34 1o7b h ALA 39 N 1.53 0.44 -0.37 0.00 0.00 -1.13 -3.29 119.26 116.45 1o7b h ALA 39 Ca 0.36 -0.95 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 1o7b h ALA 39 Cb 1.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1o7b h ALA 39 CO -0.00 1.24 -0.22 -0.09 0.00 0.00 0.00 179.25 180.18 1o7b h ARG 40 N 0.00 0.72 -0.11 0.00 1.12 0.34 -1.45 114.38 114.99 1o7b h ARG 40 Ca -0.05 -0.28 0.02 0.00 -1.11 0.00 0.00 59.98 58.56 1o7b h ARG 40 Cb 1.77 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.69 1o7b h ARG 40 CO 0.12 0.88 0.08 1.57 -3.11 0.00 0.00 179.97 179.50 1o7b h LYS 41 N 0.63 0.07 0.00 0.20 2.10 -1.37 -1.08 116.57 117.13 1o7b h LYS 41 Ca 0.09 -0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.56 1o7b h LYS 41 Cb 0.71 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.99 1o7b h LYS 41 CO 0.05 0.05 -1.02 -0.84 -2.00 0.00 0.00 179.45 175.69 1o7b h ILE 42 N 0.07 1.03 0.00 0.07 -0.00 -1.61 -3.48 117.51 113.60 1o7b h ILE 42 Ca 0.05 -2.59 0.00 0.00 -0.00 0.00 0.00 64.86 62.32 1o7b h ILE 42 Cb 0.11 2.46 0.00 0.00 -0.00 0.00 0.00 36.82 39.39 1o7b h ILE 42 CO -0.01 0.59 0.00 0.61 -0.00 0.00 0.00 178.15 179.34 1o7b n GLY 43 N 1.35 0.98 3.47 0.16 0.00 -0.41 -5.06 105.19 105.67 1o7b n GLY 43 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 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 4.84 -3.58 1.61 7.35 -0.59 -4.96 117.46 122.13 1o7b n PHE 44 Ca 0.00 -3.22 -0.40 0.00 -0.76 0.00 0.00 57.45 53.06 1o7b n PHE 44 Cb 0.00 -2.29 -0.11 0.00 0.35 0.00 0.00 39.48 37.43 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 2.15 3.22 -0.17 -5.13 5.65 -1.26 -4.69 115.29 115.06 1o7b s HIS 45 Ca 0.45 -0.60 -0.05 0.00 0.25 0.00 0.00 55.06 55.12 1o7b s HIS 45 Cb -0.01 -2.45 0.08 0.00 -1.18 0.00 0.00 32.58 29.03 1o7b s HIS 45 CO 0.02 -0.51 0.32 0.08 -0.65 0.00 0.00 174.74 174.00 1o7b s VAL 46 N 1.63 -0.50 -1.99 0.89 1.01 -0.96 -4.95 120.40 115.53 1o7b s VAL 46 Ca 0.04 0.19 0.23 0.00 0.00 0.00 0.00 61.98 62.44 1o7b s VAL 46 Cb -0.18 -0.56 0.64 0.00 0.00 0.00 0.00 36.38 36.28 1o7b s VAL 46 CO 0.08 0.06 1.73 0.00 0.00 0.00 0.00 175.10 176.97 1o7b s ALA 48 N -2.01 3.60 0.11 0.00 0.00 -1.26 -4.83 121.76 117.36 1o7b s ALA 48 Ca 0.34 -2.86 -0.35 0.00 0.00 0.00 0.00 51.96 49.09 1o7b s ALA 48 Cb 0.16 -3.81 -0.18 0.00 0.00 0.00 0.00 23.12 19.29 1o7b s ALA 48 CO 0.26 -2.68 1.00 0.00 0.00 0.00 0.00 175.76 174.34 1o7b n ALA 49 N 5.73 -2.36 -3.15 0.00 0.00 -1.25 -4.60 120.51 114.88 1o7b n ALA 49 Ca 0.16 0.51 -0.35 0.00 0.00 0.00 0.00 53.44 53.77 1o7b n ALA 49 Cb 0.48 -1.83 -0.13 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.19 1.69 0.13 0.00 0.00 -0.53 0.40 107.32 108.81 1o7b s GLY 50 Ca 0.79 -1.00 -0.31 0.00 0.00 0.00 0.00 44.72 44.20 1o7b s GLY 50 CO 0.55 0.22 1.80 -0.98 0.00 0.00 0.00 173.10 174.68 1o7b s TRP 51 N 1.00 2.30 0.00 1.90 0.52 -1.05 -4.09 118.94 119.51 1o7b s TRP 51 Ca 0.01 0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.20 1o7b s TRP 51 Cb -0.14 -4.15 0.00 0.00 -1.15 0.00 0.00 33.47 28.02 1o7b s TRP 51 CO 0.01 -4.69 0.00 0.00 0.02 0.00 0.00 176.95 172.30 1o7b n MET 52 N 5.39 1.02 -1.33 4.98 0.00 0.27 -4.09 117.12 123.35 1o7b n MET 52 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.50 1o7b n MET 52 Cb 0.38 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.65 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 -1.52 -1.76 3.17 0.00 -1.19 -1.67 120.51 114.54 1o7b n ALA 53 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 1o7b n ALA 53 Cb 0.00 -1.81 -0.07 0.00 0.00 0.00 0.00 19.45 17.57 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 -0.32 -1.50 -1.44 0.00 5.02 -1.26 -1.19 118.16 117.47 1o7b n LYS 54 Ca 0.10 1.13 -0.15 0.00 -2.02 0.00 0.00 58.31 57.37 1o7b n LYS 54 Cb 0.49 -5.56 -0.06 0.00 -0.02 0.00 0.00 35.03 29.87 1o7b n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1o7b n GLY 55 N -0.50 1.47 3.77 0.72 0.00 -0.67 -4.82 105.19 105.15 1o7b n GLY 55 Ca -0.21 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.24 3.86 -0.01 1.61 3.52 -0.33 -4.71 118.95 119.64 1o7b s ARG 56 Ca 0.00 2.04 0.01 0.00 -0.13 0.00 0.00 55.73 57.65 1o7b s ARG 56 Cb 0.00 -2.63 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 1o7b s ARG 56 CO 0.00 -0.55 -0.05 0.14 -0.81 0.00 0.00 175.30 174.04 1o7b s VAL 57 N -1.34 0.40 0.08 7.11 -7.23 -1.26 -0.57 120.40 117.59 1o7b s VAL 57 Ca 0.60 -0.18 -0.26 0.00 -1.81 0.00 0.00 61.98 60.32 1o7b s VAL 57 Cb -0.35 -0.37 0.08 0.00 0.56 0.00 0.00 36.38 36.30 1o7b s VAL 57 CO 0.44 0.13 0.82 -0.83 -0.31 0.00 0.00 175.10 175.35 1o7b s GLY 58 N 0.12 -0.45 -0.28 2.32 0.00 -1.26 -4.06 107.32 103.71 1o7b s GLY 58 Ca -0.01 0.66 -0.03 0.00 0.00 0.00 0.00 44.72 45.35 1o7b s GLY 58 CO -0.00 0.21 0.10 -2.52 0.00 0.00 0.00 173.10 170.89 1o7b s TYR 59 N -3.35 0.98 -0.54 1.90 1.13 -0.84 -1.46 117.35 115.17 1o7b s TYR 59 Ca 0.05 -1.21 -0.26 0.00 -1.41 0.00 0.00 57.07 54.25 1o7b s TYR 59 Cb -0.01 -1.25 -0.06 0.00 -1.10 0.00 0.00 41.96 39.54 1o7b s TYR 59 CO -0.07 -0.81 2.27 -2.14 -2.51 0.00 0.00 175.55 172.29 1o7b s PRO 60 N 1.87 2.20 -0.64 -3.49 0.02 -1.23 -2.39 135.00 131.34 1o7b s PRO 60 Ca 0.08 1.16 -0.19 0.00 0.02 0.00 0.00 61.00 62.07 1o7b s PRO 60 Cb -0.17 -4.55 0.11 0.00 0.02 0.00 0.00 34.50 29.91 1o7b s PRO 60 CO -0.27 -3.21 0.77 0.42 -0.33 0.00 0.00 177.00 174.38 1o7b s ILE 61 N 11.56 4.81 -0.12 2.83 -1.09 -1.09 -2.27 121.20 135.83 1o7b s ILE 61 Ca 0.90 -1.08 0.19 0.00 -2.23 0.00 0.00 60.65 58.43 1o7b s ILE 61 Cb -0.16 -4.53 -0.21 0.00 -1.58 0.00 0.00 42.46 35.97 1o7b s ILE 61 CO 0.24 -1.19 0.54 0.52 -1.23 0.00 0.00 174.94 173.82 1o7b n VAL 62 N 5.48 0.84 -3.61 2.92 0.31 -1.26 -2.56 118.33 120.45 1o7b n VAL 62 Ca -0.05 -0.67 -0.31 0.00 -0.01 0.00 0.00 64.34 63.31 1o7b n VAL 62 Cb 0.44 -0.41 -0.08 0.00 -0.91 0.00 0.00 33.84 32.87 1o7b n VAL 62 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1o7b n LYS 63 N -2.65 2.50 -2.10 5.55 3.00 -1.26 -4.96 118.16 118.24 1o7b n LYS 63 Ca -0.13 -4.55 -0.40 0.00 -0.00 0.00 0.00 58.31 53.23 1o7b n LYS 63 Cb 0.82 -2.33 -0.01 0.00 0.00 0.00 0.00 35.03 33.50 1o7b n LYS 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1o7b s PRO 64 N -1.87 4.11 0.00 1.64 0.04 -1.26 -4.86 135.00 132.80 1o7b s PRO 64 Ca 0.31 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1o7b s PRO 64 Cb 0.02 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1o7b s PRO 64 CO -0.09 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1o7b n GLY 65 N 0.71 -1.37 0.00 0.56 0.00 0.07 -5.01 105.19 100.15 1o7b n GLY 65 Ca 0.02 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 0.00 1.61 -0.04 -1.26 -4.62 135.00 130.69 1o7b n PRO 66 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1o7b n PRO 66 Cb 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 33.58 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 0.00 0.00 -4.35 3.54 0.23 -1.26 -4.42 115.26 109.00 1o7b n ASN 67 Ca 0.00 -0.15 -0.37 0.00 -0.53 0.00 0.00 54.58 53.53 1o7b n ASN 67 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1o7b n GLY 69 N 4.85 2.60 0.19 0.00 0.00 -1.26 -0.75 105.19 110.81 1o7b n GLY 69 Ca -0.15 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 44.94 1o7b n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1o7b n PHE 70 N 0.91 0.00 0.00 1.61 3.01 -1.26 -4.81 117.46 116.92 1o7b n PHE 70 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1o7b n PHE 70 Cb 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 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 1.19 0.82 3.98 1.37 0.00 -1.26 -5.11 105.19 106.18 1o7b n GLY 71 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 3.00 -0.22 1.61 3.01 -1.26 -5.11 119.74 120.78 1o7b s LYS 72 Ca 0.00 -1.10 -0.04 0.00 -1.01 0.00 0.00 55.97 53.82 1o7b s LYS 72 Cb 0.00 -2.76 -0.00 0.00 -1.01 0.00 0.00 37.83 34.05 1o7b s LYS 72 CO 0.00 -0.01 -0.05 0.95 0.51 0.00 0.00 175.35 176.75 1o7b s THR 73 N -2.23 3.28 0.00 2.17 -4.23 -1.26 -4.93 115.64 108.43 1o7b s THR 73 Ca 0.47 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1o7b s THR 73 Cb -0.09 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1o7b s THR 73 CO 0.31 0.41 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 1o7b n GLY 74 N 4.78 1.34 3.69 3.99 0.00 -1.06 -5.05 105.19 112.88 1o7b n GLY 74 Ca -0.18 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 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 0.31 -3.23 -0.61 5.41 -1.26 -2.68 119.36 115.44 1o7b n ILE 75 Ca 0.00 -0.05 -0.46 0.00 1.00 0.00 0.00 62.75 63.24 1o7b n ILE 75 Cb 0.00 -2.04 -0.02 0.00 -0.71 0.00 0.00 39.64 36.87 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 2.48 5.44 -0.14 1.39 1.01 -1.00 -4.89 121.20 125.49 1o7b s ILE 76 Ca 0.82 -2.38 0.02 0.00 0.00 0.00 0.00 60.65 59.11 1o7b s ILE 76 Cb -0.51 -4.57 0.01 0.00 0.01 0.00 0.00 42.46 37.40 1o7b s ILE 76 CO 0.38 -1.17 -0.21 -0.62 0.00 0.00 0.00 174.94 173.32 1o7b s ASP 77 N 2.42 2.99 -0.20 3.58 -1.08 -1.26 -1.99 116.67 121.13 1o7b s ASP 77 Ca 0.23 -0.58 0.15 0.00 -0.52 0.00 0.00 52.55 51.84 1o7b s ASP 77 Cb -0.09 -1.38 0.79 0.00 -1.46 0.00 0.00 42.92 40.78 1o7b s ASP 77 CO -0.09 0.06 1.71 -1.22 0.52 0.00 0.00 175.17 176.16 1o7b n TYR 78 N 4.13 1.91 -0.53 -5.34 4.01 -1.26 -5.06 117.16 115.03 1o7b n TYR 78 Ca -0.20 -0.68 0.07 0.00 -0.16 0.00 0.00 57.90 56.93 1o7b n TYR 78 Cb 0.51 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.78 -2.03 3.69 2.72 0.00 -1.26 -4.85 105.19 104.23 1o7b n GLY 79 Ca 0.27 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.93 3.11 0.91 -0.61 2.08 -1.26 -4.66 119.36 116.00 1o7b n ILE 80 Ca -0.01 -0.50 0.11 0.00 0.56 0.00 0.00 62.75 62.91 1o7b n ILE 80 Cb 0.25 -1.48 0.10 0.00 -0.75 0.00 0.00 39.64 37.76 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 -0.43 2.20 0.00 0.38 5.12 -1.26 -4.95 116.66 117.72 1o7b n ARG 81 Ca 0.09 -1.89 0.00 0.00 -1.93 0.00 0.00 57.85 54.12 1o7b n ARG 81 Cb 0.42 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 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 1.30 0.00 -4.16 0.55 -0.00 -1.26 -4.86 117.00 108.57 1o7b n LEU 82 Ca 0.14 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.76 1o7b n LEU 82 Cb 0.57 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.90 1o7b n LEU 82 CO 0.14 0.00 0.01 0.54 -0.00 0.00 0.00 177.39 178.09 1o7b s ASN 83 N -0.01 5.53 0.00 1.96 4.22 -1.26 -4.92 114.94 120.45 1o7b s ASN 83 Ca 0.00 -2.38 0.00 0.00 -2.14 0.00 0.00 52.86 48.34 1o7b s ASN 83 Cb 0.00 -1.93 0.00 0.00 1.28 0.00 0.00 41.25 40.60 1o7b s ASN 83 CO 0.00 -0.52 0.16 -2.11 -2.04 0.00 0.00 177.10 172.58 1o7b n ARG 84 N 4.20 0.29 -0.24 3.55 1.85 -1.26 -2.72 116.66 122.33 1o7b n ARG 84 Ca 0.02 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.96 1o7b n ARG 84 Cb 0.40 -1.13 0.26 0.00 -1.05 0.00 0.00 32.46 30.94 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 0.28 2.92 -4.75 2.89 7.64 -1.26 -2.64 113.62 118.70 1o7b n SER 85 Ca 0.00 -1.96 -0.36 0.00 1.01 0.00 0.00 58.87 57.56 1o7b n SER 85 Cb 0.07 -0.31 0.05 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.37 2.81 -1.00 1.43 2.02 -1.10 -4.91 118.70 116.58 1o7b s GLU 86 Ca 0.37 1.85 -0.14 0.00 0.02 0.00 0.00 54.97 57.08 1o7b s GLU 86 Cb 0.20 -1.90 0.21 0.00 0.10 0.00 0.00 34.13 32.73 1o7b s GLU 86 CO 0.27 -1.34 1.06 -0.98 0.02 0.00 0.00 175.26 174.29 1o7b s ARG 87 N -3.42 3.85 0.00 1.61 3.03 -1.26 -4.07 118.95 118.70 1o7b s ARG 87 Ca 0.78 -2.54 0.00 0.00 2.03 0.00 0.00 55.73 56.00 1o7b s ARG 87 Cb -0.31 -4.69 0.00 0.00 -1.03 0.00 0.00 34.95 28.92 1o7b s ARG 87 CO 0.36 -1.47 0.00 0.91 -1.13 0.00 0.00 175.30 173.97 1o7b n TRP 88 N 4.49 0.00 -0.13 5.89 5.03 -0.84 -3.74 117.44 128.15 1o7b n TRP 88 Ca 0.23 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.76 1o7b n TRP 88 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.73 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 -1.14 0.00 -3.61 -0.99 9.92 0.16 -0.46 116.55 120.43 1o7b n ASP 89 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 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 -3.01 -2.13 -1.17 2.24 0.00 -0.23 -2.52 121.76 114.94 1o7b s ALA 90 Ca 0.00 2.31 -0.09 0.00 0.00 0.00 0.00 51.96 54.17 1o7b s ALA 90 Cb 0.00 -1.66 0.23 0.00 0.00 0.00 0.00 23.12 21.69 1o7b s ALA 90 CO 0.00 -0.57 1.43 0.66 0.00 0.00 0.00 175.76 177.28 1o7b n TYR 91 N 4.50 4.14 -1.26 0.00 4.01 -1.26 -0.12 117.16 127.18 1o7b n TYR 91 Ca -0.16 -3.27 -0.36 0.00 -0.16 0.00 0.00 57.90 53.95 1o7b n TYR 91 Cb 0.56 -1.80 0.08 0.00 -0.31 0.00 0.00 39.34 37.86 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 -1.91 -0.99 -0.16 0.00 6.14 -0.28 0.21 117.35 120.35 1o7b s TYR 93 Ca 0.68 1.86 -0.08 0.00 0.64 0.00 0.00 57.07 60.17 1o7b s TYR 93 Cb -0.34 0.52 0.06 0.00 0.42 0.00 0.00 41.96 42.62 1o7b s TYR 93 CO 0.55 -0.53 0.37 1.21 0.64 0.00 0.00 175.55 177.79 1o7b s ASN 94 N 2.35 -0.36 0.00 4.32 2.47 -1.17 -2.22 114.94 120.33 1o7b s ASN 94 Ca -0.06 0.81 0.09 0.00 0.42 0.00 0.00 52.86 54.12 1o7b s ASN 94 Cb -0.10 0.77 0.46 0.00 -1.45 0.00 0.00 41.25 40.93 1o7b s ASN 94 CO -0.16 -0.20 1.12 -0.81 -3.72 0.00 0.00 177.10 173.34 1o7b n PRO 95 N 4.50 0.15 -0.17 0.43 -0.04 -1.26 -1.51 135.00 137.10 1o7b n PRO 95 Ca -0.20 0.17 0.03 0.00 -0.04 0.00 0.00 63.50 63.45 1o7b n PRO 95 Cb 0.53 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1o7b n PRO 95 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1o7b n HIS 96 N -1.23 0.00 -1.20 0.54 8.25 -1.26 -4.87 115.22 115.44 1o7b n HIS 96 Ca 0.05 -0.38 -0.21 0.00 -0.26 0.00 0.00 57.72 56.92 1o7b n HIS 96 Cb 0.06 -0.07 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.51 6.60 -0.85 -1.41 0.00 -0.57 -5.09 120.51 118.68 1o7b n ALA 97 Ca 0.05 -2.46 0.00 0.00 0.00 0.00 0.00 53.44 51.02 1o7b n ALA 97 Cb 0.55 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1o7b n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67