#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 4.92 0.22 1.61 0.11 -1.26 -2.55 120.40 123.46 1o7b s VAL 2 Ca 0.00 1.75 0.09 0.00 -2.93 0.00 0.00 61.98 60.89 1o7b s VAL 2 Cb 0.00 -4.18 -0.05 0.00 -1.53 0.00 0.00 36.38 30.62 1o7b s VAL 2 CO 0.00 0.14 -0.15 -0.72 -3.33 0.00 0.00 175.10 171.04 1o7b s TYR 3 N 1.31 1.83 -0.11 1.54 1.13 0.27 -4.92 117.35 118.40 1o7b s TYR 3 Ca 0.43 -0.53 -0.02 0.00 -1.41 0.00 0.00 57.07 55.55 1o7b s TYR 3 Cb -0.19 -0.84 -0.03 0.00 -1.10 0.00 0.00 41.96 39.80 1o7b s TYR 3 CO 0.20 0.43 -0.04 -1.58 -2.51 0.00 0.00 175.55 172.05 1o7b s HIS 4 N -2.88 3.03 0.09 -3.49 2.46 -1.26 0.36 115.29 113.60 1o7b s HIS 4 Ca 0.24 -0.09 -0.01 0.00 0.47 0.00 0.00 55.06 55.67 1o7b s HIS 4 Cb -0.01 -1.84 -0.04 0.00 -0.13 0.00 0.00 32.58 30.55 1o7b s HIS 4 CO 0.09 0.19 0.02 1.03 -2.47 0.00 0.00 174.74 173.60 1o7b s ARG 5 N -0.28 0.77 0.00 2.88 1.81 0.92 -4.92 118.95 120.13 1o7b s ARG 5 Ca 0.05 -1.31 0.00 0.00 -1.72 0.00 0.00 55.73 52.75 1o7b s ARG 5 Cb -0.13 0.23 0.00 0.00 -0.45 0.00 0.00 34.95 34.61 1o7b s ARG 5 CO 0.02 -0.19 0.00 -0.85 -0.68 0.00 0.00 175.30 173.61 1o7b n GLU 6 N 0.01 1.47 -2.78 3.54 0.00 -1.26 -1.42 120.64 120.20 1o7b n GLU 6 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.70 1o7b n GLU 6 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 32.00 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 3.17 0.62 -1.84 0.00 -0.04 -4.90 121.76 116.76 1o7b s ALA 7 Ca 0.00 0.50 0.28 0.00 0.00 0.00 0.00 51.96 52.75 1o7b s ALA 7 Cb 0.00 -3.18 1.47 0.00 0.00 0.00 0.00 23.12 21.41 1o7b s ALA 7 CO 0.00 0.15 1.87 0.00 0.00 0.00 0.00 175.76 177.78 1o7b h ARG 8 N 2.86 0.00 0.02 0.00 2.47 -1.97 -1.55 114.38 116.22 1o7b h ARG 8 Ca -0.47 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 57.99 1o7b h ARG 8 Cb 1.19 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.48 1o7b h ARG 8 CO 0.64 0.00 -1.42 0.45 0.56 0.00 0.00 179.97 180.20 1o7b n SER 9 N -3.40 1.90 -2.82 7.04 2.88 -1.26 -5.07 113.62 112.89 1o7b n SER 9 Ca 0.05 0.39 -0.03 0.00 -1.33 0.00 0.00 58.87 57.95 1o7b n SER 9 Cb 0.60 -0.95 0.02 0.00 -0.75 0.00 0.00 64.21 63.13 1o7b n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1o7b n GLY 10 N 1.50 0.78 3.90 0.46 0.00 -0.58 -5.17 105.19 106.09 1o7b n GLY 10 Ca -0.33 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.05 3.64 -0.80 1.61 2.20 -1.26 -0.86 119.74 122.22 1o7b s LYS 11 Ca 0.18 0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 55.90 1o7b s LYS 11 Cb -0.03 -2.54 -0.00 0.00 -1.51 0.00 0.00 37.83 33.76 1o7b s LYS 11 CO 0.05 0.07 0.68 0.66 -0.36 0.00 0.00 175.35 176.46 1o7b n TYR 12 N -1.33 -2.61 -2.19 4.03 4.01 -1.24 -4.92 117.16 112.91 1o7b n TYR 12 Ca -0.01 0.99 -0.00 0.00 -0.16 0.00 0.00 57.90 58.73 1o7b n TYR 12 Cb 0.54 -3.66 0.00 0.00 -0.31 0.00 0.00 39.34 35.92 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 -2.24 0.05 -4.21 -0.72 2.85 -0.50 -4.53 118.16 108.86 1o7b n LYS 13 Ca -0.11 -0.07 -0.29 0.00 -1.05 0.00 0.00 58.31 56.80 1o7b n LYS 13 Cb 0.57 0.18 -0.09 0.00 -0.65 0.00 0.00 35.03 35.04 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 -0.16 3.17 0.00 -5.58 1.43 0.44 -4.74 118.68 113.23 1o7b s LEU 14 Ca 0.00 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1o7b s LEU 14 Cb 0.02 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1o7b s LEU 14 CO -0.01 0.15 0.00 0.35 0.23 0.00 0.00 176.35 177.07 1o7b n THR 15 N 0.40 0.00 -0.06 5.49 -2.24 -1.26 -2.47 114.28 114.14 1o7b n THR 15 Ca -0.12 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1o7b n THR 15 Cb 0.53 -0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.95 -2.44 116.97 120.55 1o7b h TYR 16 Ca 0.00 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 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 0.42 -0.34 0.00 -1.64 0.00 0.00 178.16 176.60 1o7b h ALA 17 N -0.67 1.43 -0.05 1.82 0.00 -1.98 -2.60 119.26 117.21 1o7b h ALA 17 Ca -0.03 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1o7b h ALA 17 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1o7b h ALA 17 CO -0.02 0.43 -0.26 0.93 0.00 0.00 0.00 179.25 180.33 1o7b h GLU 18 N 0.01 0.26 -0.91 0.00 5.08 -1.97 -2.72 114.58 114.32 1o7b h GLU 18 Ca -0.00 -0.22 0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1o7b h GLU 18 Cb 0.61 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1o7b h GLU 18 CO 0.04 0.87 0.55 0.00 -1.00 0.00 0.00 179.01 179.48 1o7b h ALA 19 N 0.39 1.31 0.02 3.43 0.00 -1.30 0.28 119.26 123.40 1o7b h ALA 19 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1o7b h ALA 19 Cb 0.93 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1o7b h ALA 19 CO 0.05 0.21 -0.01 -0.22 0.00 0.00 0.00 179.25 179.28 1o7b h LYS 20 N 0.93 -0.03 -0.23 0.00 3.64 -1.50 -2.01 116.57 117.38 1o7b h LYS 20 Ca 0.43 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.81 1o7b h LYS 20 Cb 0.35 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1o7b h LYS 20 CO -0.23 0.20 0.11 0.00 -2.27 0.00 0.00 179.45 177.26 1o7b h ALA 21 N 0.71 0.30 -0.93 5.00 0.00 -1.10 -0.55 119.26 122.69 1o7b h ALA 21 Ca -0.00 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 54.98 1o7b h ALA 21 Cb 0.24 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1o7b h ALA 21 CO 0.01 -0.15 0.59 0.28 0.00 0.00 0.00 179.25 179.98 1o7b h VAL 22 N 0.25 0.81 0.51 0.00 2.07 -0.44 0.15 116.25 119.60 1o7b h VAL 22 Ca 0.08 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1o7b h VAL 22 Cb 0.11 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1o7b h VAL 22 CO -0.01 0.13 -0.25 0.00 0.02 0.00 0.00 177.57 177.47 1o7b n GLU 24 N -5.11 0.04 0.01 0.00 2.13 -0.19 -0.39 120.64 117.12 1o7b n GLU 24 Ca -0.09 0.49 -0.08 0.00 0.66 0.00 0.00 57.16 58.15 1o7b n GLU 24 Cb 0.27 -1.72 -0.13 0.00 0.27 0.00 0.00 31.44 30.13 1o7b n GLU 24 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1o7b h PHE 25 N 0.00 0.00 -0.11 4.31 3.57 -0.60 -3.32 116.94 120.80 1o7b h PHE 25 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1o7b h PHE 25 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1o7b h PHE 25 CO 0.00 0.98 0.00 0.39 -2.23 0.00 0.00 178.31 177.45 1o7b n GLU 26 N -3.14 2.16 -0.35 1.11 1.02 0.47 -4.95 120.64 116.96 1o7b n GLU 26 Ca -0.11 -1.70 0.00 0.00 -0.02 0.00 0.00 57.16 55.32 1o7b n GLU 26 Cb 1.01 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 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 1.32 0.80 0.00 0.62 0.00 -0.82 -5.01 105.19 102.10 1o7b n GLY 27 Ca 0.16 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.31 -1.15 3.56 -0.02 0.00 -0.96 -4.30 105.19 102.00 1o7b n GLY 28 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 0.50 -0.30 1.61 -3.43 -0.62 -1.02 115.29 109.02 1o7b s HIS 29 Ca 0.00 -0.84 -0.28 0.00 -0.80 0.00 0.00 55.06 53.14 1o7b s HIS 29 Cb 0.00 0.13 -0.04 0.00 -1.43 0.00 0.00 32.58 31.24 1o7b s HIS 29 CO 0.00 -1.01 2.06 -0.51 -2.00 0.00 0.00 174.74 173.29 1o7b s LEU 30 N -3.06 3.45 0.00 5.38 1.43 -1.26 -0.37 118.68 124.25 1o7b s LEU 30 Ca 0.24 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 1o7b s LEU 30 Cb -0.00 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1o7b s LEU 30 CO 0.11 -1.97 0.00 0.00 0.23 0.00 0.00 176.35 174.72 1o7b n ALA 31 N 11.61 0.00 -2.30 4.21 0.00 -0.93 -4.18 120.51 128.91 1o7b n ALA 31 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 1o7b n ALA 31 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.56 1.13 0.18 0.00 -4.23 -1.26 -2.28 115.64 108.62 1o7b s THR 32 Ca 0.00 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.37 1o7b s THR 32 Cb 0.00 -1.74 0.13 0.00 1.34 0.00 0.00 72.50 72.22 1o7b s THR 32 CO 0.00 -0.70 1.65 0.22 -0.54 0.00 0.00 174.62 175.25 1o7b h TYR 33 N 2.96 -0.32 -0.41 3.99 3.20 -1.97 0.86 116.97 125.28 1o7b h TYR 33 Ca -0.37 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.60 1o7b h TYR 33 Cb 1.19 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.62 1o7b h TYR 33 CO 0.64 -0.23 0.12 0.87 -1.64 0.00 0.00 178.16 177.93 1o7b h LYS 34 N -0.04 0.26 -0.53 1.82 1.57 -2.00 -0.88 116.57 116.77 1o7b h LYS 34 Ca 0.22 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1o7b h LYS 34 Cb 0.37 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1o7b h LYS 34 CO -0.49 0.17 0.33 1.96 -0.57 0.00 0.00 179.45 180.86 1o7b h GLN 35 N 0.26 0.70 -0.06 3.15 4.20 -1.63 -0.74 115.11 121.00 1o7b h GLN 35 Ca 0.19 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1o7b h GLN 35 Cb 0.20 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1o7b h GLN 35 CO -0.22 0.48 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.14 1o7b h LEU 36 N 0.72 0.09 0.53 1.46 -0.00 0.49 -2.29 115.31 116.31 1o7b h LEU 36 Ca 0.19 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 58.02 1o7b h LEU 36 Cb -0.06 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 40.58 1o7b h LEU 36 CO -0.04 0.31 -0.25 -0.08 -0.00 0.00 0.00 178.44 178.38 1o7b h GLU 37 N 0.09 -0.68 -0.90 1.13 4.81 -0.39 0.17 114.58 118.82 1o7b h GLU 37 Ca 0.02 0.05 0.26 0.00 -0.13 0.00 0.00 59.36 59.55 1o7b h GLU 37 Cb 0.43 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 1o7b h GLU 37 CO 0.03 -0.38 0.64 0.00 -0.73 0.00 0.00 179.01 178.57 1o7b h ALA 38 N -0.80 2.80 0.02 2.92 0.00 -1.35 0.69 119.26 123.53 1o7b h ALA 38 Ca -0.07 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 1o7b h ALA 38 Cb 0.62 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1o7b h ALA 38 CO 0.12 -1.06 -1.15 0.00 0.00 0.00 0.00 179.25 177.16 1o7b h ALA 39 N 1.56 0.37 -0.28 0.00 0.00 -1.19 -3.27 119.26 116.44 1o7b h ALA 39 Ca 0.43 -0.99 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 1o7b h ALA 39 Cb 1.67 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1o7b h ALA 39 CO -0.02 1.25 -0.28 -0.09 0.00 0.00 0.00 179.25 180.11 1o7b h ARG 40 N 0.01 0.58 0.00 0.00 2.43 0.34 -1.25 114.38 116.50 1o7b h ARG 40 Ca -0.07 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.82 1o7b h ARG 40 Cb 1.84 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 1o7b h ARG 40 CO 0.13 0.80 -0.19 1.57 -1.51 0.00 0.00 179.97 180.77 1o7b h LYS 41 N 0.50 0.00 0.00 0.20 2.10 -1.20 -2.17 116.57 116.00 1o7b h LYS 41 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1o7b h LYS 41 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1o7b h LYS 41 CO 0.06 0.19 -0.37 -0.84 -2.00 0.00 0.00 179.45 176.49 1o7b h ILE 42 N 0.00 0.00 0.00 0.07 -0.00 -1.52 -3.47 117.51 112.59 1o7b h ILE 42 Ca -0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 64.86 64.17 1o7b h ILE 42 Cb 0.53 1.47 0.00 0.00 -0.00 0.00 0.00 36.82 38.81 1o7b h ILE 42 CO 0.03 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.79 1o7b n GLY 43 N 1.25 0.98 3.12 0.16 0.00 -0.82 -5.06 105.19 104.83 1o7b n GLY 43 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 3.63 -3.50 1.61 7.35 -0.50 -4.99 117.46 121.06 1o7b n PHE 44 Ca 0.00 -3.07 -0.39 0.00 -0.76 0.00 0.00 57.45 53.24 1o7b n PHE 44 Cb 0.00 -1.76 -0.10 0.00 0.35 0.00 0.00 39.48 37.97 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 -0.57 3.23 -0.18 -5.13 5.65 -1.26 -4.59 115.29 112.44 1o7b s HIS 45 Ca 0.36 0.22 -0.05 0.00 0.25 0.00 0.00 55.06 55.84 1o7b s HIS 45 Cb 0.02 -2.47 0.09 0.00 -1.18 0.00 0.00 32.58 29.03 1o7b s HIS 45 CO 0.02 -0.21 0.34 0.08 -0.65 0.00 0.00 174.74 174.32 1o7b s VAL 46 N 1.89 -0.54 -2.00 0.89 1.01 -0.64 -4.94 120.40 116.08 1o7b s VAL 46 Ca 0.10 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.33 1o7b s VAL 46 Cb -0.16 -0.60 0.23 0.00 0.00 0.00 0.00 36.38 35.85 1o7b s VAL 46 CO 0.11 0.05 1.03 0.00 0.00 0.00 0.00 175.10 176.28 1o7b s ALA 48 N -2.00 3.50 0.19 0.00 0.00 -1.26 -4.87 121.76 117.33 1o7b s ALA 48 Ca 0.12 -1.31 -0.31 0.00 0.00 0.00 0.00 51.96 50.46 1o7b s ALA 48 Cb 0.05 -2.61 -0.11 0.00 0.00 0.00 0.00 23.12 20.46 1o7b s ALA 48 CO 0.09 -0.86 1.59 0.00 0.00 0.00 0.00 175.76 176.58 1o7b s ALA 49 N 1.73 3.79 -0.15 0.00 0.00 -1.25 -4.61 121.76 121.27 1o7b s ALA 49 Ca 0.06 1.43 -0.03 0.00 0.00 0.00 0.00 51.96 53.42 1o7b s ALA 49 Cb -0.17 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1o7b s ALA 49 CO 0.10 -0.82 -0.05 0.20 0.00 0.00 0.00 175.76 175.19 1o7b s GLY 50 N 1.01 1.69 0.18 0.00 0.00 -0.13 -0.43 107.32 109.64 1o7b s GLY 50 Ca 0.69 -0.83 -0.30 0.00 0.00 0.00 0.00 44.72 44.28 1o7b s GLY 50 CO 0.34 -0.11 1.20 -0.98 0.00 0.00 0.00 173.10 173.54 1o7b s TRP 51 N 0.31 3.43 0.00 1.90 0.52 -1.02 -3.88 118.94 120.21 1o7b s TRP 51 Ca -0.05 1.42 0.00 0.00 0.02 0.00 0.00 56.10 57.49 1o7b s TRP 51 Cb -0.14 -3.43 0.00 0.00 -1.15 0.00 0.00 33.47 28.75 1o7b s TRP 51 CO 0.03 -1.20 0.00 0.00 0.02 0.00 0.00 176.95 175.81 1o7b n MET 52 N 2.59 0.26 -1.08 4.98 0.00 -0.84 -3.52 117.12 119.51 1o7b n MET 52 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.40 1o7b n MET 52 Cb 0.45 0.00 0.09 0.00 0.00 0.00 0.00 33.22 33.76 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 -1.93 -0.46 3.17 0.00 -0.96 -1.32 120.51 116.01 1o7b n ALA 53 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1o7b n ALA 53 Cb 0.00 -1.83 0.00 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 -1.10 0.00 -2.03 0.00 3.00 -1.26 -2.06 118.16 114.71 1o7b n LYS 54 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.36 1o7b n LYS 54 Cb 0.51 -3.96 -0.00 0.00 0.00 0.00 0.00 35.03 31.59 1o7b n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1o7b n GLY 55 N -2.00 0.24 3.71 3.14 0.00 -0.43 -4.84 105.19 105.01 1o7b n GLY 55 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.11 4.54 -0.11 1.61 3.52 -0.87 -4.45 118.95 119.08 1o7b s ARG 56 Ca 0.00 1.33 0.04 0.00 -0.13 0.00 0.00 55.73 56.97 1o7b s ARG 56 Cb 0.00 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1o7b s ARG 56 CO 0.00 -0.03 -0.23 0.08 -0.81 0.00 0.00 175.30 174.32 1o7b s VAL 57 N 0.95 2.01 0.19 7.11 1.01 -1.26 -1.99 120.40 128.42 1o7b s VAL 57 Ca 0.50 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 1o7b s VAL 57 Cb -0.21 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.48 1o7b s VAL 57 CO 0.26 0.55 0.73 -0.83 0.00 0.00 0.00 175.10 175.82 1o7b s GLY 58 N 0.47 -0.32 -0.22 4.51 0.00 -1.25 -3.91 107.32 106.60 1o7b s GLY 58 Ca -0.16 0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.69 1o7b s GLY 58 CO 0.06 0.05 0.06 -2.52 0.00 0.00 0.00 173.10 170.75 1o7b s TYR 59 N -3.69 1.06 -0.40 1.90 1.13 0.28 -0.95 117.35 116.68 1o7b s TYR 59 Ca 0.07 -1.00 -0.28 0.00 -1.41 0.00 0.00 57.07 54.45 1o7b s TYR 59 Cb -0.03 -1.13 -0.02 0.00 -1.10 0.00 0.00 41.96 39.68 1o7b s TYR 59 CO -0.02 -0.68 1.88 -1.25 -2.51 0.00 0.00 175.55 172.98 1o7b s PRO 60 N 1.85 3.08 -0.66 -3.49 0.04 -1.22 -1.33 135.00 133.26 1o7b s PRO 60 Ca 0.02 1.28 -0.14 0.00 0.04 0.00 0.00 61.00 62.20 1o7b s PRO 60 Cb -0.17 -4.28 0.17 0.00 0.04 0.00 0.00 34.50 30.26 1o7b s PRO 60 CO -0.14 -2.16 0.60 0.42 0.04 0.00 0.00 177.00 175.76 1o7b s ILE 61 N 7.83 5.24 -0.14 0.56 -1.09 -1.00 -1.62 121.20 130.98 1o7b s ILE 61 Ca 0.79 -1.99 0.16 0.00 -2.23 0.00 0.00 60.65 57.39 1o7b s ILE 61 Cb -0.20 -4.31 -0.06 0.00 -1.58 0.00 0.00 42.46 36.30 1o7b s ILE 61 CO 0.30 -0.93 1.05 0.58 -1.23 0.00 0.00 174.94 174.71 1o7b h VAL 62 N 5.42 0.61 -3.45 2.92 2.07 -1.89 -2.95 116.25 118.99 1o7b h VAL 62 Ca -0.11 -2.04 -0.66 0.00 0.82 0.00 0.00 66.70 64.71 1o7b h VAL 62 Cb 1.07 2.15 -0.39 0.00 -1.52 0.00 0.00 31.29 32.59 1o7b h VAL 62 CO 0.89 0.35 -0.56 -0.75 0.02 0.00 0.00 177.57 177.52 1o7b s LYS 63 N -2.95 2.11 0.76 1.57 2.20 -1.26 -4.96 119.74 117.21 1o7b s LYS 63 Ca -0.00 -2.55 -0.15 0.00 -0.36 0.00 0.00 55.97 52.91 1o7b s LYS 63 Cb 0.08 -3.43 -0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1o7b s LYS 63 CO 0.79 -1.12 0.69 -2.30 -0.36 0.00 0.00 175.35 173.06 1o7b n PRO 64 N 3.30 0.26 0.00 4.03 -0.02 -1.26 -4.49 135.00 136.81 1o7b n PRO 64 Ca 0.06 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1o7b n PRO 64 Cb 0.34 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.37 0.03 3.76 -1.23 0.00 -1.26 -4.71 105.19 103.15 1o7b n GLY 65 Ca 0.11 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1o7b n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1o7b s PRO 66 N -2.00 4.44 -1.98 1.61 0.04 -1.26 -0.10 135.00 135.75 1o7b s PRO 66 Ca 0.00 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1o7b s PRO 66 Cb 0.00 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1o7b s PRO 66 CO 0.00 -0.11 0.00 -1.71 0.04 0.00 0.00 177.00 175.22 1o7b n ASN 67 N 1.41 -5.61 0.00 6.66 2.85 -1.26 -4.64 115.26 114.68 1o7b n ASN 67 Ca 0.01 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 1o7b n ASN 67 Cb 0.43 -4.82 0.00 0.00 1.24 0.00 0.00 39.78 36.63 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1o7b s GLY 69 N -1.07 1.85 0.00 0.00 0.00 0.86 -4.82 107.32 104.14 1o7b s GLY 69 Ca 0.00 0.77 0.30 0.00 0.00 0.00 0.00 44.72 45.80 1o7b s GLY 69 CO 0.00 2.49 2.10 0.33 0.00 0.00 0.00 173.10 178.02 1o7b n PHE 70 N 5.65 0.00 0.00 1.90 -0.00 -1.26 -3.99 117.46 119.77 1o7b n PHE 70 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.58 1o7b n PHE 70 Cb 0.44 -0.16 0.00 0.00 -0.00 0.00 0.00 39.48 39.76 1o7b n PHE 70 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1o7b n GLY 71 N 1.11 1.19 3.97 7.13 0.00 -1.26 -5.09 105.19 112.25 1o7b n GLY 71 Ca 0.18 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 3.22 -0.24 1.61 3.01 -1.26 -5.02 119.74 121.06 1o7b s LYS 72 Ca 0.00 -0.75 -0.04 0.00 -1.01 0.00 0.00 55.97 54.17 1o7b s LYS 72 Cb 0.00 -2.76 0.01 0.00 -1.01 0.00 0.00 37.83 34.07 1o7b s LYS 72 CO 0.00 0.07 -0.03 0.95 0.51 0.00 0.00 175.35 176.86 1o7b s THR 73 N -2.24 3.30 0.00 2.17 -4.23 -1.26 -4.83 115.64 108.55 1o7b s THR 73 Ca 0.43 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1o7b s THR 73 Cb -0.10 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1o7b s THR 73 CO 0.33 0.29 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 1o7b n GLY 74 N 4.77 2.26 3.68 3.99 0.00 -1.11 -5.02 105.19 113.75 1o7b n GLY 74 Ca -0.17 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.70 0.45 -3.24 -0.61 5.41 -1.26 -2.37 119.36 116.03 1o7b n ILE 75 Ca 0.00 -0.08 -0.46 0.00 1.00 0.00 0.00 62.75 63.21 1o7b n ILE 75 Cb 0.00 -2.15 -0.01 0.00 -0.71 0.00 0.00 39.64 36.76 1o7b n ILE 75 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1o7b s ILE 76 N 3.12 5.58 -0.10 1.39 1.01 -0.44 -4.86 121.20 126.90 1o7b s ILE 76 Ca 0.84 -2.69 -0.01 0.00 0.00 0.00 0.00 60.65 58.79 1o7b s ILE 76 Cb -0.48 -4.60 0.03 0.00 0.01 0.00 0.00 42.46 37.43 1o7b s ILE 76 CO 0.39 -1.20 -0.02 -0.62 0.00 0.00 0.00 174.94 173.49 1o7b s ASP 77 N 2.14 1.94 -0.19 3.58 2.15 -1.26 -0.56 116.67 124.48 1o7b s ASP 77 Ca 0.26 -0.25 0.01 0.00 0.43 0.00 0.00 52.55 53.01 1o7b s ASP 77 Cb -0.09 -0.59 0.26 0.00 -0.30 0.00 0.00 42.92 42.21 1o7b s ASP 77 CO -0.08 -0.19 1.43 0.00 -0.17 0.00 0.00 175.17 176.16 1o7b n TYR 78 N 5.07 1.23 -1.03 -5.34 4.19 -1.25 -4.98 117.16 115.04 1o7b n TYR 78 Ca -0.09 -1.11 0.14 0.00 3.31 0.00 0.00 57.90 60.15 1o7b n TYR 78 Cb 0.50 -0.56 -0.04 0.00 0.49 0.00 0.00 39.34 39.73 1o7b n TYR 78 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1o7b n GLY 79 N -0.09 -1.82 3.40 2.98 0.00 -1.26 -4.60 105.19 103.80 1o7b n GLY 79 Ca 0.24 -1.26 -0.52 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.37 0.14 0.00 -0.61 2.08 -1.26 -4.44 119.36 111.89 1o7b n ILE 80 Ca 0.00 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.11 1o7b n ILE 80 Cb 0.47 -1.38 0.00 0.00 -0.75 0.00 0.00 39.64 37.98 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 8.06 0.00 -1.21 0.38 5.12 -1.26 -4.73 116.66 123.03 1o7b n ARG 81 Ca 0.45 0.13 -0.07 0.00 -1.93 0.00 0.00 57.85 56.42 1o7b n ARG 81 Cb 0.17 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 29.93 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 -1.10 0.10 -3.22 0.55 7.99 -1.26 -4.85 117.00 115.20 1o7b n LEU 82 Ca 0.00 0.18 -0.02 0.00 -0.01 0.00 0.00 56.01 56.16 1o7b n LEU 82 Cb 0.01 -2.56 -0.02 0.00 -0.11 0.00 0.00 43.42 40.74 1o7b n LEU 82 CO 0.00 -1.00 0.05 0.21 -1.51 0.00 0.00 177.39 175.15 1o7b s ASN 83 N -2.28 -1.15 0.00 -1.43 2.47 -1.26 -4.99 114.94 106.30 1o7b s ASN 83 Ca 0.00 -0.92 0.00 0.00 0.42 0.00 0.00 52.86 52.36 1o7b s ASN 83 Cb 0.00 1.76 0.00 0.00 -1.45 0.00 0.00 41.25 41.56 1o7b s ASN 83 CO 0.00 -0.18 0.26 -2.11 -3.72 0.00 0.00 177.10 171.35 1o7b n ARG 84 N 4.36 0.37 -0.11 0.43 1.85 -1.26 -2.86 116.66 119.42 1o7b n ARG 84 Ca 0.11 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 57.04 1o7b n ARG 84 Cb 0.55 -1.11 0.26 0.00 -1.05 0.00 0.00 32.46 31.11 1o7b n ARG 84 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1o7b n SER 85 N -0.01 1.55 -2.43 2.89 2.88 -1.26 -3.81 113.62 113.42 1o7b n SER 85 Ca 0.00 -1.84 -0.01 0.00 -1.33 0.00 0.00 58.87 55.69 1o7b n SER 85 Cb 0.06 -0.15 0.01 0.00 -0.75 0.00 0.00 64.21 63.37 1o7b n SER 85 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1o7b n GLU 86 N 0.29 -0.85 -3.59 -1.46 -0.58 -1.14 -5.03 120.64 108.29 1o7b n GLU 86 Ca 0.13 -0.07 -0.29 0.00 -0.42 0.00 0.00 57.16 56.51 1o7b n GLU 86 Cb 0.28 -0.06 -0.13 0.00 -0.57 0.00 0.00 31.44 30.96 1o7b n GLU 86 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1o7b s ARG 87 N -3.10 0.86 0.00 3.49 0.52 -1.26 -4.41 118.95 115.05 1o7b s ARG 87 Ca 0.03 -1.57 0.00 0.00 -0.52 0.00 0.00 55.73 53.66 1o7b s ARG 87 Cb -0.00 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.69 1o7b s ARG 87 CO 0.02 -1.17 0.00 0.91 0.02 0.00 0.00 175.30 175.08 1o7b n TRP 88 N 3.92 0.00 0.00 -0.53 7.02 -1.03 -3.59 117.44 123.22 1o7b n TRP 88 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 1o7b n TRP 88 Cb 0.36 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.25 1o7b n TRP 88 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1o7b n ASP 89 N 0.00 0.00 -3.64 -0.99 9.92 0.43 -0.42 116.55 121.84 1o7b n ASP 89 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 1o7b n ASP 89 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1o7b n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o7b s ALA 90 N -2.00 -2.07 -1.12 2.24 0.00 -0.51 -2.43 121.76 115.88 1o7b s ALA 90 Ca 0.00 1.97 -0.07 0.00 0.00 0.00 0.00 51.96 53.85 1o7b s ALA 90 Cb 0.00 -1.53 0.28 0.00 0.00 0.00 0.00 23.12 21.86 1o7b s ALA 90 CO 0.00 -0.26 1.36 0.66 0.00 0.00 0.00 175.76 177.51 1o7b n TYR 91 N 2.63 3.80 -0.74 0.00 4.01 -1.23 -0.05 117.16 125.58 1o7b n TYR 91 Ca -0.14 -3.22 -0.34 0.00 -0.16 0.00 0.00 57.90 54.04 1o7b n TYR 91 Cb 0.56 -1.57 0.14 0.00 -0.31 0.00 0.00 39.34 38.17 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 -2.19 -0.93 -0.30 0.00 6.14 0.50 0.93 117.35 121.51 1o7b s TYR 93 Ca 0.52 1.81 -0.14 0.00 0.64 0.00 0.00 57.07 59.89 1o7b s TYR 93 Cb -0.07 0.56 0.16 0.00 0.42 0.00 0.00 41.96 43.02 1o7b s TYR 93 CO 0.66 -0.46 0.95 1.21 0.64 0.00 0.00 175.55 178.55 1o7b s ASN 94 N 1.74 -0.65 0.00 4.32 2.47 -1.06 -1.60 114.94 120.17 1o7b s ASN 94 Ca -0.09 0.89 0.13 0.00 0.42 0.00 0.00 52.86 54.21 1o7b s ASN 94 Cb -0.05 1.73 0.71 0.00 -1.45 0.00 0.00 41.25 42.18 1o7b s ASN 94 CO -0.18 -0.12 1.27 -0.81 -3.72 0.00 0.00 177.10 173.53 1o7b n PRO 95 N 5.00 0.29 0.00 0.43 -0.04 -1.26 -1.57 135.00 137.85 1o7b n PRO 95 Ca -0.10 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1o7b n PRO 95 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.15 0.00 -1.11 0.54 8.25 -1.26 -4.76 115.22 115.73 1o7b n HIS 96 Ca 0.08 -0.41 -0.16 0.00 -0.26 0.00 0.00 57.72 56.96 1o7b n HIS 96 Cb 0.07 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.41 6.05 0.34 -1.41 0.00 -0.61 -5.07 120.51 119.40 1o7b n ALA 97 Ca 0.00 -2.05 0.04 0.00 0.00 0.00 0.00 53.44 51.43 1o7b n ALA 97 Cb 0.23 -2.04 0.03 0.00 0.00 0.00 0.00 19.45 17.68 1o7b n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67