#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 4.74 0.20 1.61 0.11 -1.26 -3.48 120.40 122.32 1o7c s VAL 2 Ca 0.00 1.51 -0.03 0.00 -2.93 0.00 0.00 61.98 60.53 1o7c s VAL 2 Cb 0.00 -4.05 -0.03 0.00 -1.53 0.00 0.00 36.38 30.76 1o7c s VAL 2 CO 0.00 0.41 0.18 -0.72 -3.33 0.00 0.00 175.10 171.64 1o7c s TYR 3 N -0.26 1.01 0.04 1.54 1.13 -0.16 -4.99 117.35 115.65 1o7c s TYR 3 Ca 0.36 -1.26 -0.07 0.00 -1.41 0.00 0.00 57.07 54.69 1o7c s TYR 3 Cb -0.20 -0.43 -0.05 0.00 -1.10 0.00 0.00 41.96 40.18 1o7c s TYR 3 CO 0.21 -0.69 0.30 -1.58 -2.51 0.00 0.00 175.55 171.29 1o7c s HIS 4 N -4.13 3.56 0.20 -3.49 5.65 -1.26 -0.95 115.29 114.88 1o7c s HIS 4 Ca 0.35 0.59 -0.14 0.00 0.25 0.00 0.00 55.06 56.12 1o7c s HIS 4 Cb 0.06 -2.01 0.01 0.00 -1.18 0.00 0.00 32.58 29.46 1o7c s HIS 4 CO 0.11 0.57 0.45 0.50 -0.65 0.00 0.00 174.74 175.72 1o7c s ARG 5 N -1.95 1.37 0.01 2.88 6.06 -0.64 -4.89 118.95 121.79 1o7c s ARG 5 Ca 0.31 -1.06 0.00 0.00 -2.50 0.00 0.00 55.73 52.48 1o7c s ARG 5 Cb -0.13 0.47 -0.00 0.00 0.06 0.00 0.00 34.95 35.35 1o7c s ARG 5 CO 0.18 -0.56 0.00 -0.85 -2.50 0.00 0.00 175.30 171.57 1o7c n GLU 6 N -0.32 1.65 -3.12 5.12 0.00 -1.26 -1.37 120.64 121.34 1o7c n GLU 6 Ca -0.07 -0.06 -0.32 0.00 0.00 0.00 0.00 57.16 56.71 1o7c n GLU 6 Cb 0.62 0.02 -0.06 0.00 0.00 0.00 0.00 31.44 32.03 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 -2.02 3.35 0.49 -1.84 0.00 -1.18 -4.81 121.76 115.76 1o7c s ALA 7 Ca 0.00 -0.02 0.41 0.00 0.00 0.00 0.00 51.96 52.35 1o7c s ALA 7 Cb 0.00 -2.73 2.17 0.00 0.00 0.00 0.00 23.12 22.56 1o7c s ALA 7 CO 0.00 0.30 2.24 0.00 0.00 0.00 0.00 175.76 178.30 1o7c h ARG 8 N 2.13 0.00 0.00 0.00 -0.00 -2.01 -1.23 114.38 113.27 1o7c h ARG 8 Ca -0.48 0.00 -0.21 0.00 -0.50 0.00 0.00 59.98 58.80 1o7c h ARG 8 Cb 1.18 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.11 1o7c h ARG 8 CO 0.65 0.00 -2.01 0.43 0.00 0.00 0.00 179.97 179.04 1o7c n SER 9 N -2.96 0.23 0.00 7.04 7.64 -1.26 -5.08 113.62 119.23 1o7c n SER 9 Ca -0.02 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1o7c n SER 9 Cb 0.09 1.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 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 1.51 2.71 3.72 0.23 0.00 -0.47 -5.10 105.19 107.79 1o7c n GLY 10 Ca -0.18 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1o7c n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o7c s LYS 11 N -2.07 2.11 -1.25 1.61 2.20 -1.26 -3.09 119.74 117.99 1o7c s LYS 11 Ca 0.00 1.80 -0.02 0.00 -0.36 0.00 0.00 55.97 57.39 1o7c s LYS 11 Cb 0.00 -1.83 -0.01 0.00 -1.51 0.00 0.00 37.83 34.49 1o7c s LYS 11 CO 0.00 -1.87 0.79 0.66 -0.36 0.00 0.00 175.35 174.57 1o7c n TYR 12 N -2.71 -2.02 -1.11 4.03 4.02 -1.26 -4.88 117.16 113.24 1o7c n TYR 12 Ca 0.14 0.84 0.00 0.00 -0.01 0.00 0.00 57.90 58.86 1o7c n TYR 12 Cb 0.50 -4.46 0.00 0.00 -0.02 0.00 0.00 39.34 35.36 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 -4.14 0.00 -4.26 -0.72 5.02 -1.22 -4.23 118.16 108.60 1o7c n LYS 13 Ca -0.26 -0.13 -0.35 0.00 -2.02 0.00 0.00 58.31 55.55 1o7c n LYS 13 Cb 0.67 -0.44 -0.09 0.00 -0.02 0.00 0.00 35.03 35.15 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 3.72 0.09 -0.35 1.43 -0.57 -4.84 118.68 118.16 1o7c s LEU 14 Ca 0.00 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.33 1o7c s LEU 14 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1o7c s LEU 14 CO 0.00 0.36 -0.04 0.42 0.23 0.00 0.00 176.35 177.32 1o7c s THR 15 N -0.97 3.74 0.27 5.49 -4.23 -1.26 -1.79 115.64 116.89 1o7c s THR 15 Ca 0.15 -1.09 0.14 0.00 -1.18 0.00 0.00 61.69 59.72 1o7c s THR 15 Cb -0.12 -2.77 0.27 0.00 1.34 0.00 0.00 72.50 71.22 1o7c s THR 15 CO 0.05 0.13 1.18 0.00 -0.54 0.00 0.00 174.62 175.43 1o7c n TYR 16 N 0.66 0.84 -0.03 3.99 9.36 -1.23 0.21 117.16 130.96 1o7c n TYR 16 Ca -0.12 0.88 -0.16 0.00 3.32 0.00 0.00 57.90 61.82 1o7c n TYR 16 Cb 0.52 -1.28 -0.08 0.00 -0.63 0.00 0.00 39.34 37.87 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 1.49 0.21 -0.28 2.98 0.00 -1.94 -2.38 119.26 119.35 1o7c h ALA 17 Ca 0.62 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1o7c h ALA 17 Cb 1.61 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1o7c h ALA 17 CO -0.59 0.42 -0.15 0.93 0.00 0.00 0.00 179.25 179.86 1o7c h GLU 18 N 0.18 0.59 -0.95 0.00 5.08 0.21 -0.54 114.58 119.15 1o7c h GLU 18 Ca -0.04 -0.27 0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1o7c h GLU 18 Cb 1.18 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1o7c h GLU 18 CO 0.11 0.84 0.62 0.00 -1.00 0.00 0.00 179.01 179.58 1o7c h ALA 19 N 0.73 1.48 -0.02 3.43 0.00 0.54 -2.03 119.26 123.39 1o7c h ALA 19 Ca 0.06 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 1o7c h ALA 19 Cb 0.68 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1o7c h ALA 19 CO 0.04 0.37 -0.96 -0.22 0.00 0.00 0.00 179.25 178.48 1o7c h LYS 20 N 1.08 0.60 -0.20 0.00 3.64 -1.28 -2.41 116.57 118.00 1o7c h LYS 20 Ca 0.42 -0.61 0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1o7c h LYS 20 Cb 0.22 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1o7c h LYS 20 CO -0.17 1.22 -0.05 0.00 -2.27 0.00 0.00 179.45 178.19 1o7c h ALA 21 N 0.57 0.13 0.21 5.00 0.00 -0.42 1.20 119.26 125.95 1o7c h ALA 21 Ca -0.10 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1o7c h ALA 21 Cb 1.60 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1o7c h ALA 21 CO 0.18 -0.48 -0.10 0.28 0.00 0.00 0.00 179.25 179.13 1o7c h VAL 22 N -0.00 0.84 0.00 0.00 2.07 -1.48 0.93 116.25 118.61 1o7c h VAL 22 Ca 0.09 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1o7c h VAL 22 Cb 0.14 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1o7c h VAL 22 CO -0.20 0.17 -0.12 0.00 0.02 0.00 0.00 177.57 177.44 1o7c n GLU 24 N -3.96 1.93 -0.18 0.00 2.13 0.41 -0.19 120.64 120.77 1o7c n GLU 24 Ca -0.02 -1.81 -0.08 0.00 0.66 0.00 0.00 57.16 55.90 1o7c n GLU 24 Cb 0.20 -1.40 0.01 0.00 0.27 0.00 0.00 31.44 30.53 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 3.87 0.81 -2.33 4.31 3.57 0.22 -3.24 116.94 124.16 1o7c h PHE 25 Ca 0.00 -0.07 -0.80 0.00 3.53 0.00 0.00 57.97 60.62 1o7c h PHE 25 Cb 0.84 -0.24 -0.28 0.00 2.79 0.00 0.00 35.95 39.07 1o7c h PHE 25 CO 0.07 0.69 0.96 0.39 -2.23 0.00 0.00 178.31 178.19 1o7c n GLU 26 N -4.51 5.28 -1.38 1.11 1.02 -1.25 -4.77 120.64 116.15 1o7c n GLU 26 Ca 0.02 -4.66 -0.13 0.00 -0.02 0.00 0.00 57.16 52.37 1o7c n GLU 26 Cb 0.18 -2.47 -0.06 0.00 -0.02 0.00 0.00 31.44 29.08 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 0.11 1.24 0.00 0.62 0.00 -1.22 -4.89 105.19 101.04 1o7c n GLY 27 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.24 5.86 2.73 -0.02 0.00 -1.24 -4.86 105.19 107.42 1o7c n GLY 28 Ca -0.13 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 1o7c n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1o7c n HIS 29 N 0.00 -1.54 -3.72 1.61 1.44 0.73 -3.56 115.22 110.18 1o7c n HIS 29 Ca 0.00 -1.69 -0.36 0.00 -2.01 0.00 0.00 57.72 53.66 1o7c n HIS 29 Cb 0.00 0.54 -0.10 0.00 0.12 0.00 0.00 29.99 30.55 1o7c n HIS 29 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1o7c s LEU 30 N 0.00 3.94 0.73 2.39 0.05 -1.26 0.53 118.68 125.05 1o7c s LEU 30 Ca 0.19 0.03 -0.17 0.00 0.05 0.00 0.00 54.13 54.23 1o7c s LEU 30 Cb -0.02 -2.06 -0.10 0.00 -2.05 0.00 0.00 46.19 41.97 1o7c s LEU 30 CO 0.14 0.05 -0.01 0.00 -0.55 0.00 0.00 176.35 175.97 1o7c n ALA 31 N 4.41 -3.03 -2.42 1.48 0.00 0.52 -4.24 120.51 117.23 1o7c n ALA 31 Ca -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1o7c n ALA 31 Cb 0.52 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.18 0.00 0.00 0.00 -2.24 -1.26 -3.53 114.28 105.07 1o7c n THR 32 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1o7c n THR 32 Cb 0.51 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.38 4.78 9.36 -1.26 -2.25 117.16 127.41 1o7c n TYR 33 Ca 0.00 0.00 0.30 0.00 3.32 0.00 0.00 57.90 61.52 1o7c n TYR 33 Cb 0.00 -0.33 0.57 0.00 -0.63 0.00 0.00 39.34 38.95 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 0.22 0.21 2.98 1.57 -1.99 0.28 116.57 119.84 1o7c h LYS 34 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1o7c h LYS 34 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1o7c h LYS 34 CO 0.00 0.15 -0.10 1.96 -0.57 0.00 0.00 179.45 180.89 1o7c h GLN 35 N 0.23 -0.27 -0.02 3.15 4.20 -1.98 -2.07 115.11 118.35 1o7c h GLN 35 Ca 0.73 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.47 1o7c h GLN 35 Cb 2.06 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.90 1o7c h GLN 35 CO -0.42 0.06 0.11 1.25 -0.67 0.00 0.00 178.83 179.16 1o7c h LEU 36 N -0.62 0.00 0.30 1.46 7.12 -0.11 -1.61 115.31 121.85 1o7c h LEU 36 Ca -0.03 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 1o7c h LEU 36 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 1o7c h LEU 36 CO 0.05 0.00 -0.14 -0.08 -0.13 0.00 0.00 178.44 178.13 1o7c h GLU 37 N 0.00 -0.39 0.00 1.25 4.81 -0.43 0.15 114.58 119.97 1o7c h GLU 37 Ca 0.01 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1o7c h GLU 37 Cb 0.23 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1o7c h GLU 37 CO -0.00 -0.26 0.06 0.00 -0.73 0.00 0.00 179.01 178.08 1o7c h ALA 38 N -1.31 1.04 0.00 2.92 0.00 -0.91 0.28 119.26 121.29 1o7c h ALA 38 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 1o7c h ALA 38 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1o7c h ALA 38 CO 0.07 -0.04 -1.96 0.00 0.00 0.00 0.00 179.25 177.32 1o7c n ALA 39 N -1.78 1.53 0.09 0.00 0.00 -0.65 -4.03 120.51 115.67 1o7c n ALA 39 Ca -0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 53.44 52.43 1o7c n ALA 39 Cb 0.10 -0.60 0.22 0.00 0.00 0.00 0.00 19.45 19.16 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 0.25 0.00 0.00 2.43 0.25 -1.54 114.38 115.76 1o7c h ARG 40 Ca -0.38 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1o7c h ARG 40 Cb 2.08 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 1o7c h ARG 40 CO 0.06 0.63 0.00 0.87 -1.51 0.00 0.00 179.97 180.02 1o7c h LYS 41 N 0.21 0.00 0.00 0.20 1.57 -1.35 -1.74 116.57 115.46 1o7c h LYS 41 Ca 0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1o7c h LYS 41 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1o7c h LYS 41 CO 0.07 0.00 -1.37 0.44 -0.57 0.00 0.00 179.45 178.02 1o7c n ILE 42 N -2.75 0.76 0.00 1.86 -5.35 -0.91 -4.92 119.36 108.06 1o7c n ILE 42 Ca -0.00 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1o7c n ILE 42 Cb 0.20 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.67 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 1.29 -0.07 3.57 3.28 0.00 -0.67 -5.08 105.19 107.52 1o7c n GLY 43 Ca -0.06 0.00 -0.34 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 -0.14 2.22 -0.18 1.61 2.19 -0.63 -4.93 117.98 118.13 1o7c s PHE 44 Ca 0.00 -0.24 -0.01 0.00 0.33 0.00 0.00 56.93 57.01 1o7c s PHE 44 Cb 0.00 -4.37 -0.00 0.00 -1.31 0.00 0.00 43.02 37.34 1o7c s PHE 44 CO 0.00 -1.73 -0.12 -1.58 1.83 0.00 0.00 175.22 173.62 1o7c s HIS 45 N 7.64 2.85 -0.21 10.12 5.65 -1.26 -4.39 115.29 135.68 1o7c s HIS 45 Ca 0.59 -1.09 -0.04 0.00 0.25 0.00 0.00 55.06 54.77 1o7c s HIS 45 Cb -0.02 -1.97 0.11 0.00 -1.18 0.00 0.00 32.58 29.52 1o7c s HIS 45 CO -0.00 -0.54 0.31 0.54 -0.65 0.00 0.00 174.74 174.39 1o7c s VAL 46 N 1.10 -0.48 -1.35 0.89 0.11 -1.22 -5.05 120.40 114.39 1o7c s VAL 46 Ca 0.00 -0.02 -0.14 0.00 -2.93 0.00 0.00 61.98 58.89 1o7c s VAL 46 Cb -0.14 -0.70 0.09 0.00 -1.53 0.00 0.00 36.38 34.09 1o7c s VAL 46 CO -0.03 -0.10 1.92 0.00 -3.33 0.00 0.00 175.10 173.55 1o7c s ALA 48 N 2.85 -2.96 -0.44 0.00 0.00 -1.26 -5.10 121.76 114.85 1o7c s ALA 48 Ca 0.47 1.91 -0.44 0.00 0.00 0.00 0.00 51.96 53.91 1o7c s ALA 48 Cb 0.08 -2.14 -0.18 0.00 0.00 0.00 0.00 23.12 20.89 1o7c s ALA 48 CO -0.01 -0.76 1.82 0.00 0.00 0.00 0.00 175.76 176.81 1o7c n ALA 49 N 4.20 -0.48 -3.81 0.00 0.00 -1.26 -4.69 120.51 114.47 1o7c n ALA 49 Ca -0.10 0.35 -0.34 0.00 0.00 0.00 0.00 53.44 53.34 1o7c n ALA 49 Cb 0.55 -2.09 -0.15 0.00 0.00 0.00 0.00 19.45 17.77 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 4.25 1.55 1.06 0.00 0.00 0.19 0.82 107.32 115.19 1o7c s GLY 50 Ca 1.08 -1.34 -0.18 0.00 0.00 0.00 0.00 44.72 44.28 1o7c s GLY 50 CO 0.71 0.43 -0.04 0.79 0.00 0.00 0.00 173.10 174.99 1o7c n TRP 51 N 4.67 -1.60 -3.77 1.90 7.02 -1.07 -3.36 117.44 121.22 1o7c n TRP 51 Ca -0.18 0.20 -0.07 0.00 -1.02 0.00 0.00 57.50 56.43 1o7c n TRP 51 Cb 0.48 -1.60 -0.02 0.00 -2.42 0.00 0.00 31.31 27.75 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 -3.32 1.53 1.03 -0.99 0.23 -0.06 -3.92 119.30 113.81 1o7c s MET 52 Ca 0.54 -0.82 -0.18 0.00 -1.03 0.00 0.00 55.69 54.20 1o7c s MET 52 Cb -0.13 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.71 1o7c s MET 52 CO 0.67 -0.70 -0.21 0.00 -2.03 0.00 0.00 175.02 172.75 1o7c n ALA 53 N -0.45 -4.09 0.00 3.16 0.00 -1.23 -2.56 120.51 115.34 1o7c n ALA 53 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1o7c n ALA 53 Cb 0.60 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.62 0.00 0.00 0.00 4.76 -1.26 -3.30 118.16 117.74 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 0.61 -0.09 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 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 1.49 3.82 0.72 0.00 -1.06 -4.99 105.19 105.18 1o7c n GLY 55 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.12 2.96 -0.03 1.61 1.70 -1.21 -4.54 118.95 119.32 1o7c s ARG 56 Ca 0.00 -0.93 -0.01 0.00 -0.47 0.00 0.00 55.73 54.32 1o7c s ARG 56 Cb 0.00 -2.64 0.03 0.00 -0.57 0.00 0.00 34.95 31.77 1o7c s ARG 56 CO 0.00 0.45 0.03 0.54 -1.08 0.00 0.00 175.30 175.24 1o7c s VAL 57 N -1.92 -0.02 0.00 4.99 0.11 -1.26 -0.88 120.40 121.42 1o7c s VAL 57 Ca 0.32 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1o7c s VAL 57 Cb -0.09 -0.16 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 1o7c s VAL 57 CO 0.24 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 1o7c n GLY 58 N 4.64 4.72 2.67 6.54 0.00 -1.21 -4.23 105.19 118.32 1o7c n GLY 58 Ca -0.17 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.63 1o7c n GLY 58 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1o7c s TYR 59 N -0.97 -0.13 -0.05 1.61 1.13 -0.84 -0.64 117.35 117.46 1o7c s TYR 59 Ca 0.00 -0.55 -0.27 0.00 -1.41 0.00 0.00 57.07 54.84 1o7c s TYR 59 Cb 0.00 -0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 40.21 1o7c s TYR 59 CO 0.00 -0.89 0.84 -1.25 -2.51 0.00 0.00 175.55 171.74 1o7c s PRO 60 N 2.10 4.48 -0.16 -3.49 0.04 -1.26 -2.24 135.00 134.47 1o7c s PRO 60 Ca 0.11 1.14 -0.04 0.00 0.04 0.00 0.00 61.00 62.24 1o7c s PRO 60 Cb -0.15 -3.46 0.06 0.00 0.04 0.00 0.00 34.50 30.99 1o7c s PRO 60 CO -0.29 -0.02 0.11 0.42 0.04 0.00 0.00 177.00 177.27 1o7c s ILE 61 N 1.01 -0.14 0.16 0.56 -1.09 -1.22 -3.43 121.20 117.04 1o7c s ILE 61 Ca 0.44 -0.06 -0.11 0.00 -2.23 0.00 0.00 60.65 58.69 1o7c s ILE 61 Cb -0.19 -0.53 0.03 0.00 -1.58 0.00 0.00 42.46 40.18 1o7c s ILE 61 CO 0.22 -0.19 1.60 -0.37 -1.23 0.00 0.00 174.94 174.97 1o7c h VAL 62 N 6.40 1.27 -3.45 2.92 -1.51 -1.90 -3.36 116.25 116.61 1o7c h VAL 62 Ca -0.15 -1.13 -0.68 0.00 -1.23 0.00 0.00 66.70 63.51 1o7c h VAL 62 Cb 1.15 0.96 -0.37 0.00 -2.13 0.00 0.00 31.29 30.90 1o7c h VAL 62 CO 0.27 0.40 -0.40 -0.54 -1.23 0.00 0.00 177.57 176.06 1o7c s LYS 63 N -4.97 2.53 0.56 5.19 1.02 -1.26 -4.95 119.74 117.87 1o7c s LYS 63 Ca -0.12 -2.73 -0.20 0.00 0.02 0.00 0.00 55.97 52.93 1o7c s LYS 63 Cb 0.12 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 1o7c s LYS 63 CO 0.84 -1.18 1.27 -1.25 -0.92 0.00 0.00 175.35 174.10 1o7c s PRO 64 N -0.42 3.09 0.00 -1.68 0.04 -1.26 -5.00 135.00 129.77 1o7c s PRO 64 Ca 0.19 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1o7c s PRO 64 Cb -0.19 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1o7c s PRO 64 CO -0.05 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.24 1o7c n GLY 65 N 0.64 5.17 0.00 0.56 0.00 -1.26 -4.82 105.19 105.48 1o7c n GLY 65 Ca 0.12 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.00 0.00 1.61 -0.04 -1.26 -3.25 135.00 132.06 1o7c n PRO 66 Ca 0.00 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 1o7c n PRO 66 Cb 0.00 -0.92 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.82 1.77 0.30 3.54 6.94 -1.26 -2.84 115.26 122.89 1o7c n ASN 67 Ca 0.00 -1.38 0.16 0.00 -0.02 0.00 0.00 54.58 53.34 1o7c n ASN 67 Cb 0.00 0.39 0.93 0.00 -2.36 0.00 0.00 39.78 38.74 1o7c n ASN 67 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1o7c n GLY 69 N -1.03 0.54 2.72 0.00 0.00 -1.26 -4.83 105.19 101.33 1o7c n GLY 69 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -1.49 -1.30 1.61 3.72 -1.13 -1.73 117.46 117.13 1o7c n PHE 70 Ca 0.00 0.33 -0.01 0.00 -0.05 0.00 0.00 57.45 57.72 1o7c n PHE 70 Cb 0.06 -3.98 -0.00 0.00 -0.94 0.00 0.00 39.48 34.62 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 -1.32 0.42 3.87 1.37 0.00 -1.20 -5.03 105.19 103.31 1o7c n GLY 71 Ca -0.14 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.62 3.78 -0.05 1.61 1.02 -0.71 -5.01 119.74 117.76 1o7c s LYS 72 Ca 0.00 0.51 0.03 0.00 0.02 0.00 0.00 55.97 56.53 1o7c s LYS 72 Cb 0.00 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1o7c s LYS 72 CO 0.00 -0.08 -0.15 0.95 -0.92 0.00 0.00 175.35 175.15 1o7c s THR 73 N -2.43 1.28 0.00 2.17 -4.23 -1.26 -4.43 115.64 106.73 1o7c s THR 73 Ca 0.52 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1o7c s THR 73 Cb -0.10 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1o7c s THR 73 CO 0.32 0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 1o7c n GLY 74 N 3.47 -2.40 3.55 3.99 0.00 -1.26 -4.78 105.19 107.75 1o7c n GLY 74 Ca -0.20 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.31 3.74 -1.20 -0.61 1.01 -1.26 -3.45 121.20 119.12 1o7c s ILE 75 Ca 0.00 0.22 -0.22 0.00 0.00 0.00 0.00 60.65 60.65 1o7c s ILE 75 Cb 0.00 -4.92 -0.07 0.00 0.01 0.00 0.00 42.46 37.48 1o7c s ILE 75 CO 0.00 -1.85 1.91 -0.38 0.00 0.00 0.00 174.94 174.62 1o7c n ILE 76 N 6.48 2.15 -3.80 2.92 2.08 -0.95 -4.73 119.36 123.52 1o7c n ILE 76 Ca 0.08 -2.24 -0.36 0.00 0.56 0.00 0.00 62.75 60.79 1o7c n ILE 76 Cb 0.49 -2.19 -0.13 0.00 -0.75 0.00 0.00 39.64 37.06 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 6.21 4.91 -0.00 4.38 2.15 -1.26 -1.99 116.67 131.07 1o7c s ASP 77 Ca 0.67 -0.49 0.01 0.00 0.43 0.00 0.00 52.55 53.17 1o7c s ASP 77 Cb -0.00 -1.85 0.04 0.00 -0.30 0.00 0.00 42.92 40.80 1o7c s ASP 77 CO 0.13 -0.10 0.95 -1.22 -0.17 0.00 0.00 175.17 174.75 1o7c n TYR 78 N 4.86 0.07 -0.84 -5.34 4.02 -1.26 -4.98 117.16 113.69 1o7c n TYR 78 Ca -0.16 -0.03 0.11 0.00 -0.01 0.00 0.00 57.90 57.81 1o7c n TYR 78 Cb 0.50 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 39.75 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 0.47 -2.40 3.64 2.72 0.00 -1.26 -4.79 105.19 103.57 1o7c n GLY 79 Ca 0.01 -1.26 -0.45 0.00 0.00 0.00 0.00 46.02 44.32 1o7c n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1o7c n ILE 80 N -3.55 1.24 -0.76 -0.61 5.41 -1.26 -4.57 119.36 115.26 1o7c n ILE 80 Ca -0.02 -0.31 0.07 0.00 1.00 0.00 0.00 62.75 63.49 1o7c n ILE 80 Cb 0.39 -1.29 0.14 0.00 -0.71 0.00 0.00 39.64 38.17 1o7c n ILE 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1o7c n ARG 81 N 1.57 2.12 -3.89 0.38 5.12 -1.26 -4.99 116.66 115.71 1o7c n ARG 81 Ca 0.11 -2.37 -0.25 0.00 -1.93 0.00 0.00 57.85 53.42 1o7c n ARG 81 Cb 0.31 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 30.15 1o7c n ARG 81 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1o7c n LEU 82 N -0.88 -2.44 -2.75 0.55 7.99 -1.26 -4.90 117.00 113.31 1o7c n LEU 82 Ca 0.13 -0.97 -0.09 0.00 -0.01 0.00 0.00 56.01 55.08 1o7c n LEU 82 Cb 0.60 -2.33 0.09 0.00 -0.11 0.00 0.00 43.42 41.67 1o7c n LEU 82 CO 0.04 0.43 0.33 -3.20 -1.51 0.00 0.00 177.39 173.49 1o7c n ASN 83 N -2.99 -1.73 0.09 -1.43 4.05 -1.26 -4.95 115.26 107.03 1o7c n ASN 83 Ca -0.30 -3.14 0.05 0.00 0.45 0.00 0.00 54.58 51.63 1o7c n ASN 83 Cb 0.68 1.26 0.25 0.00 1.23 0.00 0.00 39.78 43.21 1o7c n ASN 83 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1o7c n ARG 84 N -0.02 0.06 0.00 1.20 1.74 -1.26 -1.12 116.66 117.25 1o7c n ARG 84 Ca 0.04 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1o7c n ARG 84 Cb 0.76 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.80 0.48 -2.37 0.55 2.88 -1.26 -3.50 113.62 108.61 1o7c n SER 85 Ca -0.01 -1.74 -0.05 0.00 -1.33 0.00 0.00 58.87 55.74 1o7c n SER 85 Cb 0.14 -0.24 0.04 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.19 -0.36 -3.72 -1.46 -0.58 -0.28 -5.03 120.64 109.03 1o7c n GLU 86 Ca 0.00 -0.35 -0.26 0.00 -0.42 0.00 0.00 57.16 56.14 1o7c n GLU 86 Cb 0.12 -0.24 -0.17 0.00 -0.57 0.00 0.00 31.44 30.58 1o7c n GLU 86 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1o7c s ARG 87 N -3.49 0.49 0.38 3.49 1.04 -1.26 -4.33 118.95 115.26 1o7c s ARG 87 Ca 0.13 -0.17 -0.11 0.00 -1.04 0.00 0.00 55.73 54.54 1o7c s ARG 87 Cb -0.00 -1.67 0.04 0.00 -2.04 0.00 0.00 34.95 31.28 1o7c s ARG 87 CO 0.09 -0.54 0.70 -1.58 -0.04 0.00 0.00 175.30 173.93 1o7c s TRP 88 N 1.96 0.45 0.06 5.89 0.52 -0.74 -4.50 118.94 122.59 1o7c s TRP 88 Ca 0.02 -1.00 -0.01 0.00 0.02 0.00 0.00 56.10 55.13 1o7c s TRP 88 Cb -0.15 0.56 0.02 0.00 -1.15 0.00 0.00 33.47 32.74 1o7c s TRP 88 CO -0.07 -1.47 0.07 -0.25 0.02 0.00 0.00 176.95 175.25 1o7c n ASP 89 N -1.50 -0.65 -3.75 2.95 9.92 0.24 -1.52 116.55 122.25 1o7c n ASP 89 Ca -0.06 -0.73 -0.13 0.00 -0.53 0.00 0.00 54.79 53.35 1o7c n ASP 89 Cb 0.60 -0.06 -0.13 0.00 -0.64 0.00 0.00 41.12 40.90 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 -3.38 -0.52 -0.34 2.24 0.00 -0.47 -2.60 121.76 116.68 1o7c s ALA 90 Ca 0.04 0.88 -0.18 0.00 0.00 0.00 0.00 51.96 52.70 1o7c s ALA 90 Cb -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1o7c s ALA 90 CO 0.03 -0.17 0.49 0.71 0.00 0.00 0.00 175.76 176.82 1o7c s TYR 91 N 1.00 3.19 0.28 0.00 2.02 -1.25 -1.63 117.35 120.96 1o7c s TYR 91 Ca -0.07 0.20 -0.10 0.00 -0.37 0.00 0.00 57.07 56.73 1o7c s TYR 91 Cb -0.09 -2.86 -0.07 0.00 -0.40 0.00 0.00 41.96 38.54 1o7c s TYR 91 CO -0.06 -0.49 0.61 0.00 -1.57 0.00 0.00 175.55 174.04 1o7c s TYR 93 N -1.98 -0.53 0.00 0.00 6.14 0.19 -0.99 117.35 120.18 1o7c s TYR 93 Ca 0.48 1.06 0.03 0.00 0.64 0.00 0.00 57.07 59.28 1o7c s TYR 93 Cb -0.11 0.03 -0.01 0.00 0.42 0.00 0.00 41.96 42.29 1o7c s TYR 93 CO 0.24 -0.42 -0.10 -0.80 0.64 0.00 0.00 175.55 175.11 1o7c s ASN 94 N 2.47 1.20 0.48 4.32 0.01 -1.23 -0.61 114.94 121.58 1o7c s ASN 94 Ca 0.01 -0.24 0.28 0.00 -0.71 0.00 0.00 52.86 52.21 1o7c s ASN 94 Cb -0.12 -0.12 1.35 0.00 0.41 0.00 0.00 41.25 42.77 1o7c s ASN 94 CO -0.10 0.09 1.80 -0.65 -1.51 0.00 0.00 177.10 176.73 1o7c h PRO 95 N 5.68 0.16 0.00 -0.60 0.11 -1.90 -3.04 132.00 132.41 1o7c h PRO 95 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1o7c h PRO 95 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1o7c h PRO 95 CO 0.48 0.11 -0.91 0.72 -0.21 0.00 0.00 178.00 178.19 1o7c n HIS 96 N -4.39 0.00 -3.65 0.65 8.25 -1.26 -4.80 115.22 110.02 1o7c n HIS 96 Ca 0.24 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.50 1o7c n HIS 96 Cb 1.04 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.12 1o7c n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o7c n ALA 97 N -2.02 -1.68 0.95 -1.41 0.00 -1.15 -3.71 120.51 111.50 1o7c n ALA 97 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 53.44 53.25 1o7c n ALA 97 Cb 0.46 -0.77 0.45 0.00 0.00 0.00 0.00 19.45 19.58 1o7c n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67