#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7c s VAL 2 N 0.00 4.96 0.36 1.61 0.11 -1.26 -1.92 120.40 124.26 1o7c s VAL 2 Ca 0.00 0.47 -0.14 0.00 -2.93 0.00 0.00 61.98 59.38 1o7c s VAL 2 Cb 0.00 -3.64 0.04 0.00 -1.53 0.00 0.00 36.38 31.25 1o7c s VAL 2 CO 0.00 0.02 0.71 -0.72 -3.33 0.00 0.00 175.10 171.78 1o7c s TYR 3 N -1.71 0.26 0.29 1.54 1.13 0.25 -4.97 117.35 114.14 1o7c s TYR 3 Ca 0.44 -0.83 0.03 0.00 -1.41 0.00 0.00 57.07 55.31 1o7c s TYR 3 Cb -0.12 0.64 -0.03 0.00 -1.10 0.00 0.00 41.96 41.34 1o7c s TYR 3 CO 0.21 -1.44 0.44 -1.58 -2.51 0.00 0.00 175.55 170.67 1o7c s HIS 4 N -2.69 3.47 -0.09 -3.49 5.65 -1.26 -0.03 115.29 116.84 1o7c s HIS 4 Ca 0.18 0.13 -0.25 0.00 0.25 0.00 0.00 55.06 55.37 1o7c s HIS 4 Cb -0.04 -1.71 0.06 0.00 -1.18 0.00 0.00 32.58 29.70 1o7c s HIS 4 CO 0.12 0.30 0.59 0.50 -0.65 0.00 0.00 174.74 175.60 1o7c s ARG 5 N -4.12 0.89 0.00 2.88 6.06 0.13 -4.60 118.95 120.19 1o7c s ARG 5 Ca 0.37 0.33 0.00 0.00 -2.50 0.00 0.00 55.73 53.93 1o7c s ARG 5 Cb -0.09 0.42 0.00 0.00 0.06 0.00 0.00 34.95 35.34 1o7c s ARG 5 CO 0.32 -0.23 0.00 -0.85 -2.50 0.00 0.00 175.30 172.04 1o7c n GLU 6 N 1.49 1.94 -4.01 5.12 0.00 -1.26 -1.29 120.64 122.62 1o7c n GLU 6 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.73 1o7c n GLU 6 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.97 1o7c n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1o7c s ALA 7 N -2.00 3.79 0.20 -1.84 0.00 -1.24 -4.86 121.76 115.80 1o7c s ALA 7 Ca 0.00 -1.15 0.34 0.00 0.00 0.00 0.00 51.96 51.14 1o7c s ALA 7 Cb 0.00 -1.58 1.75 0.00 0.00 0.00 0.00 23.12 23.29 1o7c s ALA 7 CO 0.00 0.47 2.03 0.00 0.00 0.00 0.00 175.76 178.25 1o7c h ARG 8 N 2.08 0.00 0.00 0.00 -0.00 -2.01 -1.38 114.38 113.07 1o7c h ARG 8 Ca -0.49 0.00 -0.20 0.00 -0.50 0.00 0.00 59.98 58.79 1o7c h ARG 8 Cb 1.20 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.14 1o7c h ARG 8 CO 0.65 0.00 -2.09 -1.13 0.00 0.00 0.00 179.97 177.40 1o7c n SER 9 N -2.72 0.13 0.00 7.04 3.41 -1.26 -5.09 113.62 115.13 1o7c n SER 9 Ca -0.02 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1o7c n SER 9 Cb 0.10 1.24 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 1o7c n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o7c n GLY 10 N 1.51 3.55 3.65 5.00 0.00 -0.52 -5.10 105.19 113.28 1o7c n GLY 10 Ca -0.19 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 1o7c n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o7c n LYS 11 N -1.97 0.69 -3.20 1.61 4.81 -1.26 -3.64 118.16 115.20 1o7c n LYS 11 Ca 0.00 0.29 -0.15 0.00 -0.87 0.00 0.00 58.31 57.59 1o7c n LYS 11 Cb 0.00 -2.31 0.07 0.00 0.02 0.00 0.00 35.03 32.81 1o7c n LYS 11 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1o7c n TYR 12 N -2.31 -2.20 -1.76 5.64 4.01 -1.24 -4.91 117.16 114.40 1o7c n TYR 12 Ca 0.14 0.83 0.00 0.00 -0.16 0.00 0.00 57.90 58.71 1o7c n TYR 12 Cb 0.49 -4.33 0.00 0.00 -0.31 0.00 0.00 39.34 35.18 1o7c n TYR 12 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1o7c n LYS 13 N -3.41 0.00 -4.55 -0.72 5.02 -1.12 -4.39 118.16 108.99 1o7c n LYS 13 Ca -0.14 -0.10 -0.34 0.00 -2.02 0.00 0.00 58.31 55.71 1o7c n LYS 13 Cb 0.63 -0.12 -0.12 0.00 -0.02 0.00 0.00 35.03 35.39 1o7c n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o7c s LEU 14 N 0.00 3.10 0.01 -0.35 1.43 -0.32 -4.82 118.68 117.72 1o7c s LEU 14 Ca 0.00 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1o7c s LEU 14 Cb 0.00 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1o7c s LEU 14 CO 0.00 0.21 0.12 0.42 0.23 0.00 0.00 176.35 177.33 1o7c s THR 15 N 0.08 4.94 0.26 5.49 -4.23 -1.26 -1.81 115.64 119.11 1o7c s THR 15 Ca -0.02 -0.39 0.15 0.00 -1.18 0.00 0.00 61.69 60.25 1o7c s THR 15 Cb -0.14 -3.30 0.24 0.00 1.34 0.00 0.00 72.50 70.64 1o7c s THR 15 CO 0.03 0.30 1.10 0.00 -0.54 0.00 0.00 174.62 175.51 1o7c n TYR 16 N 0.96 0.81 -0.07 3.99 9.36 -1.24 0.25 117.16 131.22 1o7c n TYR 16 Ca -0.11 0.82 -0.13 0.00 3.32 0.00 0.00 57.90 61.80 1o7c n TYR 16 Cb 0.52 -1.25 -0.06 0.00 -0.63 0.00 0.00 39.34 37.93 1o7c n TYR 16 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1o7c h ALA 17 N 1.39 0.29 -0.00 2.98 0.00 -1.94 -2.34 119.26 119.64 1o7c h ALA 17 Ca 0.59 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1o7c h ALA 17 Cb 1.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1o7c h ALA 17 CO -0.53 0.19 -0.01 0.93 0.00 0.00 0.00 179.25 179.82 1o7c h GLU 18 N 0.14 0.01 -0.96 0.00 5.08 0.29 -1.91 114.58 117.23 1o7c h GLU 18 Ca 0.04 -0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.62 1o7c h GLU 18 Cb 0.69 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.82 1o7c h GLU 18 CO 0.04 0.70 0.51 0.00 -1.00 0.00 0.00 179.01 179.26 1o7c h ALA 19 N 0.31 1.64 0.00 3.43 0.00 0.54 -0.65 119.26 124.54 1o7c h ALA 19 Ca -0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1o7c h ALA 19 Cb 0.70 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1o7c h ALA 19 CO 0.00 -0.29 -0.00 -0.22 0.00 0.00 0.00 179.25 178.74 1o7c h LYS 20 N 0.51 -0.00 -0.96 0.00 3.11 -1.45 -2.70 116.57 115.08 1o7c h LYS 20 Ca 0.61 0.00 0.23 0.00 -2.81 0.00 0.00 60.65 58.68 1o7c h LYS 20 Cb 1.15 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 32.26 1o7c h LYS 20 CO -0.49 0.68 0.52 0.00 -2.81 0.00 0.00 179.45 177.35 1o7c h ALA 21 N 0.30 1.64 0.21 5.00 0.00 -0.41 0.90 119.26 126.90 1o7c h ALA 21 Ca -0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1o7c h ALA 21 Cb 0.68 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1o7c h ALA 21 CO 0.00 -0.27 -0.10 0.28 0.00 0.00 0.00 179.25 179.16 1o7c h VAL 22 N 0.54 0.81 -0.77 0.00 2.07 -1.22 0.33 116.25 118.01 1o7c h VAL 22 Ca 0.60 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1o7c h VAL 22 Cb 1.12 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 1o7c h VAL 22 CO -0.48 0.18 0.47 0.00 0.02 0.00 0.00 177.57 177.76 1o7c n GLU 24 N -4.50 0.01 -0.05 0.00 2.13 0.31 -2.65 120.64 115.89 1o7c n GLU 24 Ca 0.07 0.01 -0.08 0.00 0.66 0.00 0.00 57.16 57.82 1o7c n GLU 24 Cb 0.05 -1.51 -0.02 0.00 0.27 0.00 0.00 31.44 30.23 1o7c n GLU 24 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1o7c h PHE 25 N 0.00 -0.27 -1.95 4.31 3.57 0.83 -2.91 116.94 120.53 1o7c h PHE 25 Ca 0.00 0.03 -0.79 0.00 3.53 0.00 0.00 57.97 60.74 1o7c h PHE 25 Cb 0.51 0.15 -0.22 0.00 2.79 0.00 0.00 35.95 39.18 1o7c h PHE 25 CO 0.00 -0.17 1.47 0.39 -2.23 0.00 0.00 178.31 177.77 1o7c n GLU 26 N -5.27 5.03 -2.59 1.11 1.02 -1.25 -4.75 120.64 113.94 1o7c n GLU 26 Ca -0.01 -4.25 -0.09 0.00 -0.02 0.00 0.00 57.16 52.78 1o7c n GLU 26 Cb 0.19 -2.54 -0.00 0.00 -0.02 0.00 0.00 31.44 29.06 1o7c n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o7c n GLY 27 N 0.72 -0.50 0.00 0.62 0.00 -1.10 -4.91 105.19 100.03 1o7c n GLY 27 Ca 0.49 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1o7c n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o7c n GLY 28 N -0.73 3.39 3.40 -0.02 0.00 -1.09 -4.84 105.19 105.30 1o7c n GLY 28 Ca -0.07 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 1o7c n GLY 28 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1o7c s HIS 29 N -0.05 -0.65 0.05 1.61 -3.43 0.64 -3.54 115.29 109.93 1o7c s HIS 29 Ca 0.00 1.45 -0.31 0.00 -0.80 0.00 0.00 55.06 55.41 1o7c s HIS 29 Cb 0.00 0.28 -0.07 0.00 -1.43 0.00 0.00 32.58 31.36 1o7c s HIS 29 CO 0.00 -0.33 1.54 -0.48 -2.00 0.00 0.00 174.74 173.47 1o7c s LEU 30 N 0.84 4.35 1.02 5.38 0.05 -1.25 0.12 118.68 129.18 1o7c s LEU 30 Ca -0.05 2.34 -0.16 0.00 0.05 0.00 0.00 54.13 56.31 1o7c s LEU 30 Cb -0.05 -3.56 0.03 0.00 -2.05 0.00 0.00 46.19 40.55 1o7c s LEU 30 CO -0.07 -0.81 0.02 0.00 -0.55 0.00 0.00 176.35 174.94 1o7c n ALA 31 N 5.40 -3.65 -2.56 1.48 0.00 0.38 -4.37 120.51 117.19 1o7c n ALA 31 Ca 0.15 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1o7c n ALA 31 Cb 0.42 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1o7c n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1o7c n THR 32 N -3.76 0.00 0.00 0.00 -2.24 -1.26 -3.29 114.28 103.73 1o7c n THR 32 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1o7c n THR 32 Cb 0.58 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1o7c n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o7c n TYR 33 N 0.00 0.00 -0.35 4.78 9.36 -1.26 -2.24 117.16 127.45 1o7c n TYR 33 Ca 0.00 0.00 0.26 0.00 3.32 0.00 0.00 57.90 61.48 1o7c n TYR 33 Cb 0.00 -0.29 0.54 0.00 -0.63 0.00 0.00 39.34 38.96 1o7c n TYR 33 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1o7c h LYS 34 N 0.00 0.30 0.28 2.98 1.57 -1.99 0.78 116.57 120.49 1o7c h LYS 34 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1o7c h LYS 34 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1o7c h LYS 34 CO 0.00 0.20 -0.13 1.96 -0.57 0.00 0.00 179.45 180.91 1o7c h GLN 35 N 0.31 -0.36 -0.20 3.15 4.20 -1.98 -2.22 115.11 118.01 1o7c h GLN 35 Ca 0.65 0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.45 1o7c h GLN 35 Cb 1.77 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.62 1o7c h GLN 35 CO -0.33 -0.05 0.27 1.25 -0.67 0.00 0.00 178.83 179.30 1o7c h LEU 36 N -0.69 0.00 0.41 1.46 7.12 -0.47 -1.29 115.31 121.86 1o7c h LEU 36 Ca -0.04 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 1o7c h LEU 36 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 1o7c h LEU 36 CO 0.06 0.00 -0.20 -0.08 -0.13 0.00 0.00 178.44 178.09 1o7c h GLU 37 N 0.00 -0.53 0.00 1.25 4.81 -0.65 0.16 114.58 119.62 1o7c h GLU 37 Ca 0.10 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1o7c h GLU 37 Cb 0.63 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1o7c h GLU 37 CO -0.00 -0.36 0.03 0.00 -0.73 0.00 0.00 179.01 177.95 1o7c n ALA 38 N -2.53 0.97 -0.06 2.92 0.00 -0.83 -0.20 120.51 120.77 1o7c n ALA 38 Ca -0.07 0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1o7c n ALA 38 Cb 0.22 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 1o7c n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o7c n ALA 39 N -1.59 1.51 0.07 0.00 0.00 -0.55 -4.02 120.51 115.93 1o7c n ALA 39 Ca -0.01 -1.05 -0.08 0.00 0.00 0.00 0.00 53.44 52.31 1o7c n ALA 39 Cb 0.04 -0.52 0.05 0.00 0.00 0.00 0.00 19.45 19.02 1o7c n ALA 39 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1o7c h ARG 40 N 0.00 0.31 0.00 0.00 2.43 0.24 -1.95 114.38 115.42 1o7c h ARG 40 Ca -0.41 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 1o7c h ARG 40 Cb 2.12 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.72 1o7c h ARG 40 CO 0.05 0.90 0.00 0.87 -1.51 0.00 0.00 179.97 180.28 1o7c h LYS 41 N 0.21 0.00 0.00 0.20 1.57 -1.37 -2.31 116.57 114.87 1o7c h LYS 41 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1o7c h LYS 41 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1o7c h LYS 41 CO 0.12 0.00 -0.70 -0.84 -0.57 0.00 0.00 179.45 177.45 1o7c h ILE 42 N 0.00 0.00 0.00 1.86 3.07 -1.65 -3.46 117.51 117.32 1o7c h ILE 42 Ca 0.00 -0.76 0.00 0.00 1.55 0.00 0.00 64.86 65.65 1o7c h ILE 42 Cb 0.43 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 1o7c h ILE 42 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 1o7c n GLY 43 N 1.24 -0.18 3.68 0.16 0.00 -0.88 -5.12 105.19 104.08 1o7c n GLY 43 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1o7c n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1o7c s PHE 44 N -0.55 3.46 -0.14 1.61 5.36 -0.75 -4.99 117.98 121.98 1o7c s PHE 44 Ca 0.00 1.39 -0.06 0.00 -0.96 0.00 0.00 56.93 57.30 1o7c s PHE 44 Cb 0.00 -3.08 0.06 0.00 -0.34 0.00 0.00 43.02 39.66 1o7c s PHE 44 CO 0.00 -0.23 0.31 -1.58 -1.46 0.00 0.00 175.22 172.26 1o7c s HIS 45 N 2.08 -0.48 -0.29 10.12 5.65 -1.26 -4.26 115.29 126.85 1o7c s HIS 45 Ca 0.42 1.05 -0.01 0.00 0.25 0.00 0.00 55.06 56.77 1o7c s HIS 45 Cb -0.17 0.12 0.13 0.00 -1.18 0.00 0.00 32.58 31.48 1o7c s HIS 45 CO 0.14 -0.32 0.29 0.08 -0.65 0.00 0.00 174.74 174.28 1o7c s VAL 46 N 1.71 -0.39 -1.14 0.89 1.01 -1.26 -5.03 120.40 116.19 1o7c s VAL 46 Ca -0.06 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 1o7c s VAL 46 Cb -0.10 -0.97 -0.13 0.00 0.00 0.00 0.00 36.38 35.17 1o7c s VAL 46 CO -0.10 -0.46 2.00 0.00 0.00 0.00 0.00 175.10 176.53 1o7c n ALA 48 N 16.08 0.00 -1.46 0.00 0.00 -1.26 -5.11 120.51 128.76 1o7c n ALA 48 Ca 0.44 0.00 -0.57 0.00 0.00 0.00 0.00 53.44 53.30 1o7c n ALA 48 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 1o7c n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o7c n ALA 49 N 0.00 0.24 -3.42 0.00 0.00 -1.26 -4.73 120.51 111.33 1o7c n ALA 49 Ca 0.00 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 1o7c n ALA 49 Cb 0.00 -2.24 -0.13 0.00 0.00 0.00 0.00 19.45 17.08 1o7c n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1o7c s GLY 50 N 5.59 1.72 1.07 0.00 0.00 -0.46 -0.06 107.32 115.18 1o7c s GLY 50 Ca 1.11 -1.46 -0.20 0.00 0.00 0.00 0.00 44.72 44.16 1o7c s GLY 50 CO 0.62 0.59 -0.37 0.79 0.00 0.00 0.00 173.10 174.73 1o7c n TRP 51 N 4.78 -1.56 -3.83 1.90 7.02 -1.07 -3.54 117.44 121.13 1o7c n TRP 51 Ca -0.15 0.27 -0.07 0.00 -1.02 0.00 0.00 57.50 56.53 1o7c n TRP 51 Cb 0.47 -1.53 -0.00 0.00 -2.42 0.00 0.00 31.31 27.83 1o7c n TRP 51 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1o7c s MET 52 N -3.05 1.80 1.07 -0.99 0.23 0.01 -4.15 119.30 114.23 1o7c s MET 52 Ca 0.51 -1.07 -0.17 0.00 -1.03 0.00 0.00 55.69 53.92 1o7c s MET 52 Cb -0.07 0.56 0.08 0.00 -1.53 0.00 0.00 34.83 33.87 1o7c s MET 52 CO 0.67 -0.83 0.09 0.00 -2.03 0.00 0.00 175.02 172.91 1o7c n ALA 53 N -0.51 -3.77 0.00 3.16 0.00 -1.21 -2.71 120.51 115.48 1o7c n ALA 53 Ca -0.06 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1o7c n ALA 53 Cb 0.60 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1o7c n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o7c n LYS 54 N -1.88 0.00 0.00 0.00 4.76 -1.26 -3.18 118.16 116.61 1o7c n LYS 54 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1o7c n LYS 54 Cb 0.60 -0.28 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 1o7c n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1o7c n GLY 55 N 0.00 1.46 3.72 0.72 0.00 -1.10 -4.97 105.19 105.02 1o7c n GLY 55 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1o7c n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1o7c s ARG 56 N -0.01 2.60 -0.02 1.61 1.70 -1.19 -4.58 118.95 119.06 1o7c s ARG 56 Ca 0.00 -1.08 0.01 0.00 -0.47 0.00 0.00 55.73 54.19 1o7c s ARG 56 Cb 0.00 -2.44 0.02 0.00 -0.57 0.00 0.00 34.95 31.96 1o7c s ARG 56 CO 0.00 0.44 -0.02 0.54 -1.08 0.00 0.00 175.30 175.18 1o7c s VAL 57 N -1.88 0.27 0.09 4.99 0.11 -1.26 -0.81 120.40 121.92 1o7c s VAL 57 Ca 0.30 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.34 1o7c s VAL 57 Cb -0.09 -0.31 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 1o7c s VAL 57 CO 0.21 0.14 0.07 0.61 -3.33 0.00 0.00 175.10 172.79 1o7c n GLY 58 N 3.74 3.77 2.72 6.54 0.00 -1.23 -4.02 105.19 116.72 1o7c n GLY 58 Ca -0.22 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 1o7c n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1o7c s TYR 59 N -2.25 1.45 0.00 1.61 2.02 -0.43 -1.35 117.35 118.40 1o7c s TYR 59 Ca 0.09 -1.46 0.00 0.00 -0.37 0.00 0.00 57.07 55.33 1o7c s TYR 59 Cb 0.00 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 40.08 1o7c s TYR 59 CO 0.07 -0.81 0.10 -0.35 -1.57 0.00 0.00 175.55 172.98 1o7c n PRO 60 N 4.92 0.00 -1.64 -1.71 -0.04 -1.26 -0.30 135.00 134.98 1o7c n PRO 60 Ca -0.04 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1o7c n PRO 60 Cb 0.43 -0.59 -0.00 0.00 -0.04 0.00 0.00 33.50 33.30 1o7c n PRO 60 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1o7c n ILE 61 N -0.10 -7.05 0.00 0.52 2.08 -1.26 -4.12 119.36 109.43 1o7c n ILE 61 Ca 0.00 1.36 0.00 0.00 0.56 0.00 0.00 62.75 64.67 1o7c n ILE 61 Cb 0.00 -4.42 0.00 0.00 -0.75 0.00 0.00 39.64 34.47 1o7c n ILE 61 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 1o7c n VAL 62 N 0.79 0.00 -3.99 1.39 0.31 -1.26 -4.22 118.33 111.35 1o7c n VAL 62 Ca -0.02 1.44 -0.26 0.00 -0.01 0.00 0.00 64.34 65.49 1o7c n VAL 62 Cb 0.04 -2.44 -0.04 0.00 -0.91 0.00 0.00 33.84 30.49 1o7c n VAL 62 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1o7c s LYS 63 N -2.81 3.28 0.42 5.55 1.02 -1.26 -4.70 119.74 121.24 1o7c s LYS 63 Ca 0.00 -0.68 -0.24 0.00 0.02 0.00 0.00 55.97 55.07 1o7c s LYS 63 Cb 0.00 -2.87 -0.11 0.00 -0.52 0.00 0.00 37.83 34.33 1o7c s LYS 63 CO 0.00 0.51 0.94 -2.30 -0.92 0.00 0.00 175.35 173.58 1o7c n PRO 64 N -0.50 1.22 -3.73 -1.68 -0.02 -1.26 -4.71 135.00 124.32 1o7c n PRO 64 Ca -0.07 0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 61.48 1o7c n PRO 64 Cb 0.54 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 1o7c n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1o7c s GLY 65 N -0.79 2.29 0.00 -1.23 0.00 -1.26 -4.76 107.32 101.57 1o7c s GLY 65 Ca 0.64 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.87 1o7c s GLY 65 CO 0.57 -0.20 0.32 -1.55 0.00 0.00 0.00 173.10 172.24 1o7c n PRO 66 N 1.76 0.00 0.00 2.90 -0.04 -1.26 -3.20 135.00 135.17 1o7c n PRO 66 Ca -0.16 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1o7c n PRO 66 Cb 0.54 -0.86 0.07 0.00 -0.04 0.00 0.00 33.50 33.20 1o7c n PRO 66 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1o7c n ASN 67 N -0.73 2.58 0.30 3.54 2.04 -1.26 -4.25 115.26 117.48 1o7c n ASN 67 Ca 0.00 -1.79 0.20 0.00 -0.44 0.00 0.00 54.58 52.54 1o7c n ASN 67 Cb 0.00 0.19 0.96 0.00 -2.53 0.00 0.00 39.78 38.41 1o7c n ASN 67 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1o7c n GLY 69 N -0.64 1.39 2.69 0.00 0.00 -1.26 -4.89 105.19 102.47 1o7c n GLY 69 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1o7c n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1o7c n PHE 70 N -0.20 -4.01 1.49 1.61 3.72 -1.19 -4.81 117.46 114.07 1o7c n PHE 70 Ca 0.00 2.12 0.07 0.00 -0.05 0.00 0.00 57.45 59.58 1o7c n PHE 70 Cb 0.00 -3.77 0.39 0.00 -0.94 0.00 0.00 39.48 35.16 1o7c n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o7c n GLY 71 N 1.35 -0.75 7.00 1.37 0.00 -1.26 -4.77 105.19 108.14 1o7c n GLY 71 Ca -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1o7c n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o7c n LYS 72 N -0.77 0.00 -4.64 1.61 4.81 -1.26 -4.65 118.16 113.25 1o7c n LYS 72 Ca 0.10 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.21 1o7c n LYS 72 Cb 0.05 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.96 1o7c n LYS 72 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1o7c s THR 73 N 0.00 3.20 0.00 3.15 -4.23 -1.26 -4.28 115.64 112.21 1o7c s THR 73 Ca 0.00 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1o7c s THR 73 Cb 0.00 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1o7c s THR 73 CO 0.00 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.20 1o7c n GLY 74 N 3.64 -1.12 3.59 3.99 0.00 -1.26 -4.77 105.19 109.26 1o7c n GLY 74 Ca -0.18 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1o7c n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o7c s ILE 75 N -1.31 3.95 -1.21 -0.61 1.01 -1.26 -4.37 121.20 117.40 1o7c s ILE 75 Ca 0.00 0.93 -0.20 0.00 0.00 0.00 0.00 60.65 61.39 1o7c s ILE 75 Cb 0.00 -4.39 0.05 0.00 0.01 0.00 0.00 42.46 38.13 1o7c s ILE 75 CO 0.00 -0.95 1.68 -0.63 0.00 0.00 0.00 174.94 175.04 1o7c s ILE 76 N 5.32 4.02 -0.21 2.92 -1.09 0.59 -4.73 121.20 128.02 1o7c s ILE 76 Ca 0.55 -1.53 -0.04 0.00 -2.23 0.00 0.00 60.65 57.39 1o7c s ILE 76 Cb -0.11 -5.10 -0.02 0.00 -1.58 0.00 0.00 42.46 35.66 1o7c s ILE 76 CO 0.30 -1.92 -0.02 -0.62 -1.23 0.00 0.00 174.94 171.45 1o7c s ASP 77 N 4.65 4.53 -0.01 3.58 2.15 -1.26 -1.31 116.67 128.99 1o7c s ASP 77 Ca 0.53 -0.32 0.04 0.00 0.43 0.00 0.00 52.55 53.24 1o7c s ASP 77 Cb 0.02 -1.78 0.13 0.00 -0.30 0.00 0.00 42.92 41.00 1o7c s ASP 77 CO 0.04 0.01 1.03 -1.22 -0.17 0.00 0.00 175.17 174.85 1o7c n TYR 78 N 4.61 0.23 -0.77 -5.34 4.02 -1.26 -4.98 117.16 113.68 1o7c n TYR 78 Ca -0.18 -0.10 0.10 0.00 -0.01 0.00 0.00 57.90 57.71 1o7c n TYR 78 Cb 0.51 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 39.76 1o7c n TYR 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1o7c n GLY 79 N 0.60 -2.27 3.64 2.72 0.00 -1.26 -4.70 105.19 103.93 1o7c n GLY 79 Ca 0.05 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1o7c n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o7c s ILE 80 N -2.60 3.03 -0.32 -0.61 1.01 -1.26 -4.58 121.20 115.86 1o7c s ILE 80 Ca 0.00 0.03 0.15 0.00 0.00 0.00 0.00 60.65 60.83 1o7c s ILE 80 Cb 0.00 -3.02 0.76 0.00 0.01 0.00 0.00 42.46 40.21 1o7c s ILE 80 CO 0.00 -0.01 1.68 0.54 0.00 0.00 0.00 174.94 177.15 1o7c n ARG 81 N 7.91 4.45 -3.20 2.79 5.12 -1.26 -4.92 116.66 127.54 1o7c n ARG 81 Ca 0.23 -3.08 -0.23 0.00 -1.93 0.00 0.00 57.85 52.84 1o7c n ARG 81 Cb 0.42 -2.16 0.01 0.00 -1.16 0.00 0.00 32.46 29.58 1o7c n ARG 81 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1o7c n LEU 82 N 0.47 -2.00 -2.72 0.55 -0.00 -1.26 -4.88 117.00 107.15 1o7c n LEU 82 Ca 0.26 -0.33 -0.19 0.00 -0.00 0.00 0.00 56.01 55.75 1o7c n LEU 82 Cb 1.12 -2.47 -0.00 0.00 -0.00 0.00 0.00 43.42 42.06 1o7c n LEU 82 CO 0.29 0.18 0.01 -3.20 -0.00 0.00 0.00 177.39 174.67 1o7c n ASN 83 N -2.37 2.96 0.00 1.96 5.15 -1.26 -4.87 115.26 116.83 1o7c n ASN 83 Ca -0.06 -3.26 0.01 0.00 -0.60 0.00 0.00 54.58 50.67 1o7c n ASN 83 Cb 0.58 -0.52 0.04 0.00 -0.53 0.00 0.00 39.78 39.34 1o7c n ASN 83 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1o7c n ARG 84 N -0.18 0.02 -0.50 1.20 1.74 -1.26 -1.45 116.66 116.23 1o7c n ARG 84 Ca 0.25 0.26 0.02 0.00 -0.77 0.00 0.00 57.85 57.62 1o7c n ARG 84 Cb 0.67 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.82 1o7c n ARG 84 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1o7c n SER 85 N -1.28 3.54 -2.44 0.55 2.88 -1.26 -3.61 113.62 112.00 1o7c n SER 85 Ca 0.01 -2.53 -0.06 0.00 -1.33 0.00 0.00 58.87 54.96 1o7c n SER 85 Cb 0.01 -0.61 0.04 0.00 -0.75 0.00 0.00 64.21 62.90 1o7c n SER 85 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1o7c n GLU 86 N 0.28 -0.05 -3.69 -1.46 -0.58 -0.53 -5.03 120.64 109.59 1o7c n GLU 86 Ca 0.16 -0.47 -0.25 0.00 -0.42 0.00 0.00 57.16 56.18 1o7c n GLU 86 Cb 0.79 -0.24 -0.17 0.00 -0.57 0.00 0.00 31.44 31.24 1o7c n GLU 86 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1o7c s ARG 87 N -3.41 0.31 0.00 3.49 0.52 -1.26 -4.13 118.95 114.47 1o7c s ARG 87 Ca 0.15 -0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 1o7c s ARG 87 Cb -0.01 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 34.00 1o7c s ARG 87 CO 0.11 -0.52 0.00 0.91 0.02 0.00 0.00 175.30 175.82 1o7c n TRP 88 N 5.19 -0.33 -2.16 -0.53 7.02 -0.75 -4.40 117.44 121.48 1o7c n TRP 88 Ca -0.07 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.31 1o7c n TRP 88 Cb 0.49 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.44 1o7c n TRP 88 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1o7c n ASP 89 N -0.76 0.43 -3.78 -0.99 9.92 0.91 -1.18 116.55 121.10 1o7c n ASP 89 Ca 0.00 -1.40 -0.13 0.00 -0.53 0.00 0.00 54.79 52.73 1o7c n ASP 89 Cb 0.00 -0.30 -0.13 0.00 -0.64 0.00 0.00 41.12 40.05 1o7c n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o7c s ALA 90 N -3.17 -0.34 -0.39 2.24 0.00 -0.41 -2.60 121.76 117.08 1o7c s ALA 90 Ca 0.28 0.57 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 1o7c s ALA 90 Cb -0.01 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1o7c s ALA 90 CO 0.19 -0.12 0.41 0.71 0.00 0.00 0.00 175.76 176.95 1o7c s TYR 91 N 0.62 3.19 0.01 0.00 2.02 -1.26 0.22 117.35 122.14 1o7c s TYR 91 Ca -0.04 -0.25 -0.18 0.00 -0.37 0.00 0.00 57.07 56.22 1o7c s TYR 91 Cb -0.06 -2.81 -0.06 0.00 -0.40 0.00 0.00 41.96 38.63 1o7c s TYR 91 CO -0.03 -0.60 0.52 0.00 -1.57 0.00 0.00 175.55 173.87 1o7c s TYR 93 N -0.61 0.45 0.06 0.00 6.14 0.12 0.88 117.35 124.40 1o7c s TYR 93 Ca 0.28 -0.05 0.04 0.00 0.64 0.00 0.00 57.07 57.97 1o7c s TYR 93 Cb -0.18 -0.56 -0.03 0.00 0.42 0.00 0.00 41.96 41.61 1o7c s TYR 93 CO 0.16 -0.20 -0.11 -0.80 0.64 0.00 0.00 175.55 175.24 1o7c s ASN 94 N 1.36 1.31 0.46 4.32 -0.87 -0.81 -0.26 114.94 120.46 1o7c s ASN 94 Ca -0.05 -0.63 0.27 0.00 -1.57 0.00 0.00 52.86 50.88 1o7c s ASN 94 Cb -0.13 -0.00 1.32 0.00 -0.02 0.00 0.00 41.25 42.41 1o7c s ASN 94 CO -0.02 -0.16 1.78 -0.65 -2.57 0.00 0.00 177.10 175.47 1o7c h PRO 95 N 4.23 0.20 0.00 -0.60 0.11 -1.88 -2.90 132.00 131.16 1o7c h PRO 95 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1o7c h PRO 95 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1o7c h PRO 95 CO 0.43 0.13 -0.84 1.58 -0.21 0.00 0.00 178.00 179.09 1o7c n HIS 96 N -4.44 0.00 -3.37 0.65 -0.00 -1.26 -4.33 115.22 102.47 1o7c n HIS 96 Ca 0.26 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.82 1o7c n HIS 96 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.06 1o7c n HIS 96 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1o7c n ALA 97 N -1.89 -2.02 1.38 1.57 0.00 -1.16 -4.81 120.51 113.59 1o7c n ALA 97 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 53.44 53.38 1o7c n ALA 97 Cb 0.42 -0.57 0.43 0.00 0.00 0.00 0.00 19.45 19.72 1o7c n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67