#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 4.59 0.24 1.61 0.11 -1.26 -3.07 120.40 122.62 1o7c s VAL 2 Ca 0.00 1.32 -0.00 0.00 -2.93 0.00 0.00 61.98 60.37 1o7c s VAL 2 Cb 0.00 -3.92 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 1o7c s VAL 2 CO 0.00 0.37 0.32 0.00 -3.33 0.00 0.00 175.10 172.46 1o7c n TYR 3 N 1.17 -1.05 -3.50 1.54 4.11 -0.48 -4.98 117.16 113.97 1o7c n TYR 3 Ca -0.05 -1.69 -0.20 0.00 -0.00 0.00 0.00 57.90 55.96 1o7c n TYR 3 Cb 0.50 0.36 -0.01 0.00 -0.00 0.00 0.00 39.34 40.19 1o7c n TYR 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1o7c s HIS 4 N -3.45 3.21 0.05 -3.48 5.65 -1.26 -0.70 115.29 115.29 1o7c s HIS 4 Ca 0.21 -0.10 -0.19 0.00 0.25 0.00 0.00 55.06 55.23 1o7c s HIS 4 Cb -0.00 -1.95 0.04 0.00 -1.18 0.00 0.00 32.58 29.48 1o7c s HIS 4 CO 0.15 0.03 0.43 1.03 -0.65 0.00 0.00 174.74 175.74 1o7c s ARG 5 N -4.19 0.94 0.43 2.88 1.81 0.11 -4.71 118.95 116.22 1o7c s ARG 5 Ca 0.43 -0.35 0.05 0.00 -1.72 0.00 0.00 55.73 54.14 1o7c s ARG 5 Cb -0.09 0.42 -0.05 0.00 -0.45 0.00 0.00 34.95 34.77 1o7c s ARG 5 CO 0.32 -0.33 0.02 -2.00 -0.68 0.00 0.00 175.30 172.63 1o7c s GLU 6 N -2.48 1.98 0.67 3.54 2.12 -1.26 -1.99 118.70 121.27 1o7c s GLU 6 Ca -0.05 -2.17 -0.11 0.00 0.36 0.00 0.00 54.97 53.00 1o7c s GLU 6 Cb -0.01 -1.42 -0.01 0.00 0.26 0.00 0.00 34.13 32.95 1o7c s GLU 6 CO -0.02 -0.19 1.06 0.00 -0.54 0.00 0.00 175.26 175.56 1o7c s ALA 7 N -2.88 2.89 0.46 6.30 0.00 -1.24 -4.90 121.76 122.39 1o7c s ALA 7 Ca 0.26 -0.10 0.40 0.00 0.00 0.00 0.00 51.96 52.52 1o7c s ALA 7 Cb 0.07 -3.10 2.03 0.00 0.00 0.00 0.00 23.12 22.13 1o7c s ALA 7 CO 0.13 -0.99 2.23 0.00 0.00 0.00 0.00 175.76 177.13 1o7c h ARG 8 N -0.55 0.00 0.00 0.00 2.47 -2.01 -3.14 114.38 111.15 1o7c h ARG 8 Ca -0.44 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 57.89 1o7c h ARG 8 Cb 1.21 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.47 1o7c h ARG 8 CO 0.61 0.00 -2.32 0.43 0.56 0.00 0.00 179.97 179.25 1o7c n SER 9 N -3.10 1.83 0.00 7.04 7.64 -1.26 -5.11 113.62 120.65 1o7c n SER 9 Ca -0.02 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1o7c n SER 9 Cb 0.16 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1o7c n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1o7c n GLY 10 N 1.73 0.35 3.70 0.23 0.00 -1.19 -5.15 105.19 104.87 1o7c n GLY 10 Ca -0.45 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.30 1.01 -3.15 1.61 4.81 -1.26 -3.60 118.16 117.28 1o7c n LYS 11 Ca 0.00 0.40 -0.14 0.00 -0.87 0.00 0.00 58.31 57.70 1o7c n LYS 11 Cb 0.00 -2.44 0.07 0.00 0.02 0.00 0.00 35.03 32.68 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 -1.95 -2.18 -1.68 5.64 4.02 -1.25 -4.91 117.16 114.85 1o7c n TYR 12 Ca 0.15 0.80 0.00 0.00 -0.01 0.00 0.00 57.90 58.84 1o7c n TYR 12 Cb 0.48 -4.20 0.00 0.00 -0.02 0.00 0.00 39.34 35.60 1o7c n TYR 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1o7c n LYS 13 N -3.28 0.00 -4.21 -0.72 5.02 -1.17 -4.35 118.16 109.45 1o7c n LYS 13 Ca -0.12 -0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.79 1o7c n LYS 13 Cb 0.62 -0.16 -0.08 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 3.84 0.12 -0.35 1.43 -0.23 -4.78 118.68 118.71 1o7c s LEU 14 Ca 0.00 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1o7c s LEU 14 Cb 0.00 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1o7c s LEU 14 CO 0.00 0.38 0.03 0.42 0.23 0.00 0.00 176.35 177.40 1o7c s THR 15 N -0.87 4.06 0.29 5.49 -4.23 -1.26 -1.24 115.64 117.88 1o7c s THR 15 Ca 0.13 -1.09 0.13 0.00 -1.18 0.00 0.00 61.69 59.69 1o7c s THR 15 Cb -0.12 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.05 1o7c s THR 15 CO 0.03 0.03 1.30 0.00 -0.54 0.00 0.00 174.62 175.44 1o7c n TYR 16 N 0.26 0.85 -0.00 3.99 9.36 -1.19 0.23 117.16 130.65 1o7c n TYR 16 Ca -0.10 0.98 -0.16 0.00 3.32 0.00 0.00 57.90 61.94 1o7c n TYR 16 Cb 0.53 -1.32 -0.06 0.00 -0.63 0.00 0.00 39.34 37.86 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 1.65 0.34 -0.14 2.98 0.00 -1.95 -1.77 119.26 120.37 1o7c h ALA 17 Ca 0.65 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1o7c h ALA 17 Cb 1.63 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1o7c h ALA 17 CO -0.67 0.70 -0.24 0.93 0.00 0.00 0.00 179.25 179.97 1o7c h GLU 18 N 0.48 0.42 -0.52 0.00 5.08 0.26 -1.25 114.58 119.04 1o7c h GLU 18 Ca -0.06 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1o7c h GLU 18 Cb 1.43 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.67 1o7c h GLU 18 CO 0.16 0.85 0.30 0.00 -1.00 0.00 0.00 179.01 179.32 1o7c h ALA 19 N 0.56 0.66 0.00 3.43 0.00 0.11 -1.13 119.26 122.89 1o7c h ALA 19 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1o7c h ALA 19 Cb 0.82 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1o7c h ALA 19 CO 0.05 0.00 -0.29 -0.22 0.00 0.00 0.00 179.25 178.80 1o7c h LYS 20 N 0.60 0.00 -0.44 0.00 3.64 -1.31 -2.78 116.57 116.29 1o7c h LYS 20 Ca 0.21 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1o7c h LYS 20 Cb 0.03 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1o7c h LYS 20 CO -0.10 0.29 -0.14 0.00 -2.27 0.00 0.00 179.45 177.23 1o7c h ALA 21 N 1.71 0.61 0.11 5.00 0.00 0.00 0.16 119.26 126.85 1o7c h ALA 21 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1o7c h ALA 21 Cb 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1o7c h ALA 21 CO 0.04 0.53 -0.05 0.28 0.00 0.00 0.00 179.25 180.04 1o7c h VAL 22 N 0.70 1.08 -0.18 0.00 2.07 -1.19 0.47 116.25 119.21 1o7c h VAL 22 Ca 0.11 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1o7c h VAL 22 Cb 0.69 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1o7c h VAL 22 CO 0.05 0.20 0.06 0.00 0.02 0.00 0.00 177.57 177.89 1o7c n GLU 24 N -4.83 0.16 -0.11 0.00 2.13 0.57 -0.91 120.64 117.66 1o7c n GLU 24 Ca -0.04 0.30 -0.05 0.00 0.66 0.00 0.00 57.16 58.02 1o7c n GLU 24 Cb 0.14 -1.76 0.02 0.00 0.27 0.00 0.00 31.44 30.11 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 0.00 -1.96 4.31 3.57 0.57 -2.46 116.94 120.97 1o7c h PHE 25 Ca 0.00 0.03 -0.75 0.00 3.53 0.00 0.00 57.97 60.78 1o7c h PHE 25 Cb 0.46 0.05 -0.29 0.00 2.79 0.00 0.00 35.95 38.96 1o7c h PHE 25 CO 0.00 -0.05 0.81 0.39 -2.23 0.00 0.00 178.31 177.22 1o7c n GLU 26 N -5.17 3.07 -3.91 1.11 1.02 -1.22 -4.83 120.64 110.71 1o7c n GLU 26 Ca 0.02 -3.77 -0.31 0.00 -0.02 0.00 0.00 57.16 53.08 1o7c n GLU 26 Cb 0.18 -2.28 0.02 0.00 -0.02 0.00 0.00 31.44 29.34 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 -0.49 -0.49 3.77 0.62 0.00 -0.92 -4.96 105.19 102.71 1o7c n GLY 27 Ca 0.51 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 46.40 1o7c n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1o7c s GLY 28 N -3.24 2.86 0.01 -0.02 0.00 -0.09 -4.97 107.32 101.86 1o7c s GLY 28 Ca 0.66 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 44.69 1o7c s GLY 28 CO 0.82 -2.14 -0.13 -2.38 0.00 0.00 0.00 173.10 169.26 1o7c s HIS 29 N -2.84 1.17 -0.06 1.90 -3.43 -0.79 -2.57 115.29 108.68 1o7c s HIS 29 Ca 0.14 -0.26 -0.30 0.00 -0.80 0.00 0.00 55.06 53.84 1o7c s HIS 29 Cb 0.02 -0.74 -0.03 0.00 -1.43 0.00 0.00 32.58 30.40 1o7c s HIS 29 CO 0.08 -0.00 1.15 -0.48 -2.00 0.00 0.00 174.74 173.48 1o7c s LEU 30 N -0.57 4.27 0.74 5.38 0.05 -1.26 0.12 118.68 127.42 1o7c s LEU 30 Ca 0.04 1.74 -0.16 0.00 0.05 0.00 0.00 54.13 55.80 1o7c s LEU 30 Cb -0.06 -3.56 -0.06 0.00 -2.05 0.00 0.00 46.19 40.46 1o7c s LEU 30 CO 0.00 -0.54 0.26 0.00 -0.55 0.00 0.00 176.35 175.52 1o7c n ALA 31 N 5.11 -2.30 -2.72 1.48 0.00 0.34 -4.69 120.51 117.73 1o7c n ALA 31 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1o7c n ALA 31 Cb 0.47 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.34 0.00 0.00 0.00 -2.24 -1.26 -4.04 114.28 104.40 1o7c n THR 32 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1o7c n THR 32 Cb 0.50 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.11 0.00 -0.35 4.78 9.36 -1.26 -1.83 117.16 127.76 1o7c n TYR 33 Ca 0.00 0.00 0.23 0.00 3.32 0.00 0.00 57.90 61.45 1o7c n TYR 33 Cb 0.00 -0.40 0.48 0.00 -0.63 0.00 0.00 39.34 38.79 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 0.39 0.25 2.98 1.57 -1.99 0.14 116.57 119.91 1o7c h LYS 34 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1o7c h LYS 34 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1o7c h LYS 34 CO 0.00 0.26 -0.12 1.96 -0.57 0.00 0.00 179.45 180.98 1o7c h GLN 35 N 0.40 -0.32 -0.13 3.15 4.20 -1.98 -2.27 115.11 118.16 1o7c h GLN 35 Ca 0.68 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.44 1o7c h GLN 35 Cb 1.58 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 1o7c h GLN 35 CO -0.45 -0.01 0.20 1.25 -0.67 0.00 0.00 178.83 179.14 1o7c h LEU 36 N -0.65 0.00 0.48 1.46 7.12 -0.17 -1.59 115.31 121.96 1o7c h LEU 36 Ca -0.03 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 1o7c h LEU 36 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.59 1o7c h LEU 36 CO 0.06 0.00 -0.23 -0.08 -0.13 0.00 0.00 178.44 178.05 1o7c h GLU 37 N 0.00 -0.63 0.00 1.25 4.57 -0.39 0.42 114.58 119.81 1o7c h GLU 37 Ca 0.06 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1o7c h GLU 37 Cb 0.46 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1o7c h GLU 37 CO -0.00 -0.42 0.10 0.00 -1.18 0.00 0.00 179.01 177.51 1o7c h ALA 38 N -1.35 1.08 0.00 2.92 0.00 -0.85 0.39 119.26 121.45 1o7c h ALA 38 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 1o7c h ALA 38 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1o7c h ALA 38 CO 0.11 -0.08 -1.91 0.00 0.00 0.00 0.00 179.25 177.38 1o7c n ALA 39 N -1.79 1.55 0.08 0.00 0.00 -0.66 -4.02 120.51 115.68 1o7c n ALA 39 Ca -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 53.44 52.43 1o7c n ALA 39 Cb 0.14 -0.64 0.09 0.00 0.00 0.00 0.00 19.45 19.03 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 0.27 0.00 0.00 2.43 0.40 -1.99 114.38 115.49 1o7c h ARG 40 Ca -0.35 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1o7c h ARG 40 Cb 2.04 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1o7c h ARG 40 CO 0.06 0.83 0.00 0.87 -1.51 0.00 0.00 179.97 180.22 1o7c h LYS 41 N 0.20 0.00 0.00 0.20 1.57 -1.16 -2.12 116.57 115.26 1o7c h LYS 41 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1o7c h LYS 41 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1o7c h LYS 41 CO 0.10 0.00 -0.60 0.44 -0.57 0.00 0.00 179.45 178.82 1o7c n ILE 42 N -2.75 0.32 0.00 1.86 -5.35 -1.09 -4.89 119.36 107.46 1o7c n ILE 42 Ca 0.01 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1o7c n ILE 42 Cb 0.26 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 1o7c n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1o7c n GLY 43 N 1.36 0.32 3.65 3.28 0.00 -0.81 -5.11 105.19 107.87 1o7c n GLY 43 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.98 3.26 -0.05 1.61 5.36 -0.77 -4.99 117.98 121.43 1o7c s PHE 44 Ca 0.00 1.26 -0.02 0.00 -0.96 0.00 0.00 56.93 57.22 1o7c s PHE 44 Cb 0.00 -3.36 0.03 0.00 -0.34 0.00 0.00 43.02 39.36 1o7c s PHE 44 CO 0.00 -0.56 0.09 -1.58 -1.46 0.00 0.00 175.22 171.70 1o7c s HIS 45 N 3.26 -0.05 -0.27 10.12 5.65 -1.26 -4.21 115.29 128.53 1o7c s HIS 45 Ca 0.42 0.32 -0.02 0.00 0.25 0.00 0.00 55.06 56.03 1o7c s HIS 45 Cb -0.14 -0.23 0.12 0.00 -1.18 0.00 0.00 32.58 31.15 1o7c s HIS 45 CO 0.10 -0.15 0.25 0.08 -0.65 0.00 0.00 174.74 174.36 1o7c s VAL 46 N 1.43 -0.33 -1.21 0.89 1.01 -1.13 -5.05 120.40 116.02 1o7c s VAL 46 Ca -0.05 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.27 1o7c s VAL 46 Cb -0.12 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1o7c s VAL 46 CO -0.04 -0.45 1.87 0.00 0.00 0.00 0.00 175.10 176.48 1o7c n ALA 48 N 12.66 0.00 -1.37 0.00 0.00 -1.26 -4.99 120.51 125.55 1o7c n ALA 48 Ca 0.46 0.00 -0.60 0.00 0.00 0.00 0.00 53.44 53.30 1o7c n ALA 48 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.81 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 0.08 -3.41 0.00 0.00 -1.26 -4.70 120.51 111.22 1o7c n ALA 49 Ca 0.00 0.21 -0.36 0.00 0.00 0.00 0.00 53.44 53.29 1o7c n ALA 49 Cb 0.00 -2.12 -0.13 0.00 0.00 0.00 0.00 19.45 17.19 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 5.63 1.72 0.84 0.00 0.00 0.38 0.33 107.32 116.22 1o7c s GLY 50 Ca 1.16 -1.46 -0.15 0.00 0.00 0.00 0.00 44.72 44.27 1o7c s GLY 50 CO 0.66 0.59 0.21 0.79 0.00 0.00 0.00 173.10 175.35 1o7c n TRP 51 N 4.78 -1.95 -3.95 1.90 7.02 -1.06 -3.30 117.44 120.89 1o7c n TRP 51 Ca -0.15 0.25 0.03 0.00 -1.02 0.00 0.00 57.50 56.61 1o7c n TRP 51 Cb 0.48 -1.77 0.01 0.00 -2.42 0.00 0.00 31.31 27.61 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 -2.83 0.26 1.31 -0.99 0.23 0.12 -3.86 119.30 113.54 1o7c s MET 52 Ca 0.57 -0.17 0.00 0.00 -1.03 0.00 0.00 55.69 55.06 1o7c s MET 52 Cb -0.28 0.07 0.00 0.00 -1.53 0.00 0.00 34.83 33.10 1o7c s MET 52 CO 0.66 -0.12 0.00 0.00 -2.03 0.00 0.00 175.02 173.53 1o7c n ALA 53 N -0.87 0.00 0.22 3.16 0.00 -1.26 -0.21 120.51 121.55 1o7c n ALA 53 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.49 1o7c n ALA 53 Cb 0.59 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.61 0.04 0.00 0.00 4.76 -1.26 -4.32 118.16 116.77 1o7c n LYS 54 Ca 0.00 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1o7c n LYS 54 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 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 -0.89 -0.01 3.80 0.72 0.00 -1.05 -5.11 105.19 102.66 1o7c n GLY 55 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.88 -0.12 1.61 1.70 0.70 -4.33 118.95 122.40 1o7c s ARG 56 Ca 0.00 0.03 0.01 0.00 -0.47 0.00 0.00 55.73 55.30 1o7c s ARG 56 Cb 0.00 -3.30 0.02 0.00 -0.57 0.00 0.00 34.95 31.10 1o7c s ARG 56 CO 0.00 0.53 -0.12 0.54 -1.08 0.00 0.00 175.30 175.17 1o7c s VAL 57 N -0.40 1.35 0.03 4.99 0.11 -1.26 0.10 120.40 125.32 1o7c s VAL 57 Ca 0.16 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1o7c s VAL 57 Cb -0.13 -1.28 -0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1o7c s VAL 57 CO 0.05 0.42 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 1o7c n GLY 58 N 4.58 4.12 2.79 6.54 0.00 -1.21 -4.01 105.19 118.00 1o7c n GLY 58 Ca -0.17 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.30 2.84 -0.36 1.61 2.02 -0.79 -0.47 117.35 120.90 1o7c s TYR 59 Ca 0.00 -3.00 -0.27 0.00 -0.37 0.00 0.00 57.07 53.43 1o7c s TYR 59 Cb 0.00 -2.28 -0.06 0.00 -0.40 0.00 0.00 41.96 39.22 1o7c s TYR 59 CO 0.00 -0.66 2.31 -2.14 -1.57 0.00 0.00 175.55 173.49 1o7c s PRO 60 N -0.76 2.61 -0.19 -1.71 0.02 -1.26 -2.53 135.00 131.17 1o7c s PRO 60 Ca 0.24 1.69 -0.01 0.00 0.02 0.00 0.00 61.00 62.94 1o7c s PRO 60 Cb -0.09 -4.48 0.05 0.00 0.02 0.00 0.00 34.50 30.01 1o7c s PRO 60 CO -0.12 -2.70 -0.02 0.42 -0.33 0.00 0.00 177.00 174.25 1o7c s ILE 61 N 10.27 0.94 -0.25 2.83 -1.09 -1.18 -2.83 121.20 129.89 1o7c s ILE 61 Ca 0.98 -0.70 0.28 0.00 -2.23 0.00 0.00 60.65 58.98 1o7c s ILE 61 Cb -0.25 -1.27 0.30 0.00 -1.58 0.00 0.00 42.46 39.67 1o7c s ILE 61 CO 0.30 -0.05 1.82 0.58 -1.23 0.00 0.00 174.94 176.36 1o7c h VAL 62 N 6.50 0.00 -1.91 2.92 2.07 -1.87 -0.58 116.25 123.38 1o7c h VAL 62 Ca -0.19 -0.33 -0.48 0.00 0.82 0.00 0.00 66.70 66.51 1o7c h VAL 62 Cb 1.11 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1o7c h VAL 62 CO 0.37 0.00 -0.44 -0.54 0.02 0.00 0.00 177.57 176.98 1o7c s LYS 63 N -3.45 2.87 0.00 1.57 -0.14 -1.26 -4.75 119.74 114.58 1o7c s LYS 63 Ca 0.03 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.47 1o7c s LYS 63 Cb 0.09 -2.58 0.00 0.00 -1.68 0.00 0.00 37.83 33.66 1o7c s LYS 63 CO 0.45 0.15 0.78 -2.30 -0.76 0.00 0.00 175.35 173.68 1o7c n PRO 64 N -1.40 0.00 -0.01 -1.68 -0.02 -1.25 -4.50 135.00 126.13 1o7c n PRO 64 Ca -0.03 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1o7c n PRO 64 Cb 0.59 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1o7c n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o7c n GLY 65 N -1.28 -3.13 0.02 -1.23 0.00 -1.22 -0.99 105.19 97.36 1o7c n GLY 65 Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 44.92 1o7c n GLY 65 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1o7c n PRO 66 N -0.80 0.12 0.00 1.61 -0.04 -1.26 -3.84 135.00 130.79 1o7c n PRO 66 Ca 0.00 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1o7c n PRO 66 Cb 0.00 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.90 4.44 -1.36 3.54 2.04 -1.26 -4.38 115.26 115.38 1o7c n ASN 67 Ca -0.02 0.00 0.11 0.00 -0.44 0.00 0.00 54.58 54.23 1o7c n ASN 67 Cb 0.08 0.76 0.32 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 1.62 0.00 3.13 0.00 0.00 -1.26 -4.92 105.19 103.76 1o7c n GLY 69 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 1o7c n GLY 69 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1o7c n PHE 70 N -2.18 -2.21 -1.06 1.61 7.35 -1.26 -2.24 117.46 117.48 1o7c n PHE 70 Ca 0.00 0.80 -0.02 0.00 -0.76 0.00 0.00 57.45 57.47 1o7c n PHE 70 Cb 0.39 -4.27 -0.01 0.00 0.35 0.00 0.00 39.48 35.94 1o7c n PHE 70 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1o7c n GLY 71 N -1.60 0.55 3.91 7.13 0.00 -1.00 -5.03 105.19 109.14 1o7c n GLY 71 Ca -0.04 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 1o7c n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o7c s LYS 72 N -1.79 3.62 -0.06 1.61 1.02 -0.16 -4.92 119.74 119.07 1o7c s LYS 72 Ca 0.00 -0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.00 1o7c s LYS 72 Cb 0.00 -2.66 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1o7c s LYS 72 CO 0.00 0.22 -0.15 0.95 -0.92 0.00 0.00 175.35 175.45 1o7c s THR 73 N -2.08 1.32 0.00 2.17 -4.23 -1.26 -3.42 115.64 108.14 1o7c s THR 73 Ca 0.44 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1o7c s THR 73 Cb -0.11 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.56 1o7c s THR 73 CO 0.30 0.39 0.00 0.61 -0.54 0.00 0.00 174.62 175.38 1o7c n GLY 74 N 3.54 -2.80 3.61 3.99 0.00 -0.23 -4.82 105.19 108.48 1o7c n GLY 74 Ca -0.21 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.62 3.64 -1.22 -0.61 1.01 -1.26 -3.09 121.20 119.05 1o7c s ILE 75 Ca 0.00 0.67 -0.14 0.00 0.00 0.00 0.00 60.65 61.18 1o7c s ILE 75 Cb 0.00 -3.82 0.17 0.00 0.01 0.00 0.00 42.46 38.82 1o7c s ILE 75 CO 0.00 -0.49 1.46 -0.38 0.00 0.00 0.00 174.94 175.52 1o7c n ILE 76 N 7.14 4.25 -3.71 2.92 2.08 -1.05 -4.77 119.36 126.23 1o7c n ILE 76 Ca 0.20 -4.70 -0.37 0.00 0.56 0.00 0.00 62.75 58.44 1o7c n ILE 76 Cb 0.47 -2.46 -0.11 0.00 -0.75 0.00 0.00 39.64 36.79 1o7c n ILE 76 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1o7c s ASP 77 N 2.83 5.79 0.00 4.38 -1.08 -1.26 -1.89 116.67 125.44 1o7c s ASP 77 Ca 0.43 -0.01 0.22 0.00 -0.52 0.00 0.00 52.55 52.67 1o7c s ASP 77 Cb -0.02 -2.05 1.08 0.00 -1.46 0.00 0.00 42.92 40.47 1o7c s ASP 77 CO 0.01 0.02 1.72 -1.22 0.52 0.00 0.00 175.17 176.22 1o7c n TYR 78 N 4.59 0.07 0.00 -5.34 4.02 -1.26 -4.95 117.16 114.29 1o7c n TYR 78 Ca -0.15 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 1o7c n TYR 78 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 0.96 -1.76 3.66 2.72 0.00 -1.26 -4.80 105.19 104.70 1o7c n GLY 79 Ca 0.16 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.76 3.45 -0.28 -0.61 1.01 -1.26 -4.42 121.20 117.33 1o7c s ILE 80 Ca 0.00 0.55 0.10 0.00 0.00 0.00 0.00 60.65 61.29 1o7c s ILE 80 Cb 0.00 -3.35 0.52 0.00 0.01 0.00 0.00 42.46 39.63 1o7c s ILE 80 CO 0.00 -0.05 1.48 0.54 0.00 0.00 0.00 174.94 176.91 1o7c n ARG 81 N 7.24 2.00 -2.22 2.79 5.12 -1.26 -4.92 116.66 125.40 1o7c n ARG 81 Ca 0.18 -3.13 -0.14 0.00 -1.93 0.00 0.00 57.85 52.83 1o7c n ARG 81 Cb 0.42 -1.84 -0.02 0.00 -1.16 0.00 0.00 32.46 29.87 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 -1.05 -1.21 -2.68 0.55 -0.00 -1.26 -4.85 117.00 106.50 1o7c n LEU 82 Ca 0.33 0.20 -0.31 0.00 -0.00 0.00 0.00 56.01 56.23 1o7c n LEU 82 Cb 1.05 -2.22 0.01 0.00 -0.00 0.00 0.00 43.42 42.25 1o7c n LEU 82 CO 0.21 -0.26 0.56 0.59 -0.00 0.00 0.00 177.39 178.49 1o7c n ASN 83 N -1.57 5.48 0.00 1.96 5.03 -1.26 -4.77 115.26 120.13 1o7c n ASN 83 Ca -0.16 -3.74 0.05 0.00 0.87 0.00 0.00 54.58 51.60 1o7c n ASN 83 Cb 0.59 -0.65 0.29 0.00 -1.02 0.00 0.00 39.78 38.99 1o7c n ASN 83 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1o7c n ARG 84 N -0.46 0.53 -0.18 3.52 3.00 -1.26 -1.71 116.66 120.11 1o7c n ARG 84 Ca 0.42 0.00 0.08 0.00 -0.01 0.00 0.00 57.85 58.34 1o7c n ARG 84 Cb 0.51 -1.28 0.17 0.00 0.00 0.00 0.00 32.46 31.86 1o7c n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1o7c n SER 85 N -0.78 3.03 -2.57 0.55 7.64 -1.26 -3.19 113.62 117.04 1o7c n SER 85 Ca 0.07 -1.90 -0.04 0.00 1.01 0.00 0.00 58.87 58.01 1o7c n SER 85 Cb 0.03 -0.23 0.03 0.00 -1.01 0.00 0.00 64.21 63.04 1o7c n SER 85 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1o7c n GLU 86 N 0.95 -1.07 -3.80 1.43 -0.58 -0.69 -4.95 120.64 111.93 1o7c n GLU 86 Ca 0.14 -0.26 -0.27 0.00 -0.42 0.00 0.00 57.16 56.35 1o7c n GLU 86 Cb 0.47 -0.23 -0.17 0.00 -0.57 0.00 0.00 31.44 30.95 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 -3.38 0.93 0.05 3.49 0.52 -1.26 -4.04 118.95 115.27 1o7c s ARG 87 Ca 0.10 -0.38 -0.01 0.00 -0.52 0.00 0.00 55.73 54.92 1o7c s ARG 87 Cb -0.01 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.58 1o7c s ARG 87 CO 0.08 -0.51 0.08 0.91 0.02 0.00 0.00 175.30 175.88 1o7c n TRP 88 N 5.00 -0.85 -1.30 -0.53 7.02 -0.37 -4.28 117.44 122.12 1o7c n TRP 88 Ca -0.10 -0.27 -0.04 0.00 -1.02 0.00 0.00 57.50 56.08 1o7c n TRP 88 Cb 0.48 0.09 0.02 0.00 -2.42 0.00 0.00 31.31 29.48 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 -1.60 0.04 -3.78 -0.99 9.92 0.15 -1.06 116.55 119.23 1o7c n ASP 89 Ca -0.00 -1.07 -0.13 0.00 -0.53 0.00 0.00 54.79 53.06 1o7c n ASP 89 Cb 0.08 -0.12 -0.12 0.00 -0.64 0.00 0.00 41.12 40.31 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 -3.81 -0.50 -0.20 2.24 0.00 -0.84 -2.56 121.76 116.08 1o7c s ALA 90 Ca 0.09 0.69 -0.08 0.00 0.00 0.00 0.00 51.96 52.66 1o7c s ALA 90 Cb -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1o7c s ALA 90 CO 0.06 -0.13 0.08 0.71 0.00 0.00 0.00 175.76 176.49 1o7c s TYR 91 N 0.46 3.25 0.27 0.00 2.02 -1.25 0.06 117.35 122.16 1o7c s TYR 91 Ca -0.03 0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.77 1o7c s TYR 91 Cb -0.04 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 1o7c s TYR 91 CO -0.02 0.08 0.40 0.00 -1.57 0.00 0.00 175.55 174.44 1o7c s TYR 93 N -2.06 -0.76 -0.01 0.00 6.14 0.33 -1.39 117.35 119.61 1o7c s TYR 93 Ca 0.37 1.46 -0.05 0.00 0.64 0.00 0.00 57.07 59.49 1o7c s TYR 93 Cb -0.09 0.27 0.00 0.00 0.42 0.00 0.00 41.96 42.56 1o7c s TYR 93 CO 0.30 -0.47 0.10 -0.80 0.64 0.00 0.00 175.55 175.32 1o7c s ASN 94 N 2.59 0.02 0.12 4.32 -0.87 -1.17 -1.89 114.94 118.06 1o7c s ASN 94 Ca -0.01 -0.13 -0.22 0.00 -1.57 0.00 0.00 52.86 50.92 1o7c s ASN 94 Cb -0.12 0.20 -0.06 0.00 -0.02 0.00 0.00 41.25 41.25 1o7c s ASN 94 CO -0.12 -0.26 1.69 1.55 -2.57 0.00 0.00 177.10 177.39 1o7c h PRO 95 N 4.83 -0.12 0.00 -0.60 0.13 -1.96 -3.26 132.00 131.01 1o7c h PRO 95 Ca -0.29 0.01 -0.29 0.00 -0.87 0.00 0.00 66.00 64.56 1o7c h PRO 95 Cb 1.20 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1o7c h PRO 95 CO 0.41 -0.08 -2.23 -2.39 -0.23 0.00 0.00 178.00 173.48 1o7c n HIS 96 N -5.23 0.00 -3.27 1.56 1.44 -1.26 -4.35 115.22 104.11 1o7c n HIS 96 Ca -0.04 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.55 1o7c n HIS 96 Cb 0.15 -0.85 0.00 0.00 0.12 0.00 0.00 29.99 29.41 1o7c n HIS 96 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1o7c n ALA 97 N -2.62 -1.62 1.78 1.59 0.00 -1.23 -4.35 120.51 114.06 1o7c n ALA 97 Ca -0.26 -0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.19 1o7c n ALA 97 Cb 1.02 -0.47 0.76 0.00 0.00 0.00 0.00 19.45 20.76 1o7c n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67