#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 4.98 0.38 1.61 0.11 -1.26 -1.11 120.40 125.11 1o7c s VAL 2 Ca 0.00 -0.71 -0.16 0.00 -2.93 0.00 0.00 61.98 58.18 1o7c s VAL 2 Cb 0.00 -3.49 0.06 0.00 -1.53 0.00 0.00 36.38 31.42 1o7c s VAL 2 CO 0.00 0.01 0.80 -0.72 -3.33 0.00 0.00 175.10 171.87 1o7c s TYR 3 N -1.60 0.12 0.37 1.54 1.13 -0.16 -5.00 117.35 113.76 1o7c s TYR 3 Ca 0.33 -0.80 -0.07 0.00 -1.41 0.00 0.00 57.07 55.12 1o7c s TYR 3 Cb -0.12 0.84 -0.05 0.00 -1.10 0.00 0.00 41.96 41.53 1o7c s TYR 3 CO 0.26 -1.56 0.68 -1.58 -2.51 0.00 0.00 175.55 170.84 1o7c s HIS 4 N -2.27 3.49 0.01 -3.49 5.65 -1.26 -1.33 115.29 116.09 1o7c s HIS 4 Ca 0.16 0.82 -0.13 0.00 0.25 0.00 0.00 55.06 56.15 1o7c s HIS 4 Cb -0.05 -2.26 0.02 0.00 -1.18 0.00 0.00 32.58 29.11 1o7c s HIS 4 CO 0.11 -0.02 0.28 1.03 -0.65 0.00 0.00 174.74 175.49 1o7c s ARG 5 N -3.91 0.69 0.42 2.88 1.81 0.28 -4.75 118.95 116.38 1o7c s ARG 5 Ca 0.47 -0.36 0.05 0.00 -1.72 0.00 0.00 55.73 54.17 1o7c s ARG 5 Cb -0.10 0.30 -0.06 0.00 -0.45 0.00 0.00 34.95 34.64 1o7c s ARG 5 CO 0.33 -0.20 0.03 -2.00 -0.68 0.00 0.00 175.30 172.78 1o7c s GLU 6 N -1.85 1.95 0.59 3.54 2.12 -1.26 -1.69 118.70 122.11 1o7c s GLU 6 Ca -0.10 -2.15 -0.12 0.00 0.36 0.00 0.00 54.97 52.96 1o7c s GLU 6 Cb -0.04 -1.36 -0.05 0.00 0.26 0.00 0.00 34.13 32.94 1o7c s GLU 6 CO 0.01 -0.19 1.01 0.00 -0.54 0.00 0.00 175.26 175.55 1o7c s ALA 7 N -2.92 3.10 0.53 6.30 0.00 -1.22 -4.93 121.76 122.63 1o7c s ALA 7 Ca 0.27 -0.04 0.24 0.00 0.00 0.00 0.00 51.96 52.43 1o7c s ALA 7 Cb 0.07 -3.07 1.52 0.00 0.00 0.00 0.00 23.12 21.64 1o7c s ALA 7 CO 0.13 -0.58 2.17 0.00 0.00 0.00 0.00 175.76 177.48 1o7c h ARG 8 N -0.03 0.00 0.00 0.00 2.47 -2.01 -3.07 114.38 111.74 1o7c h ARG 8 Ca -0.45 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.01 1o7c h ARG 8 Cb 1.19 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.47 1o7c h ARG 8 CO 0.62 0.04 -1.46 0.45 0.56 0.00 0.00 179.97 180.18 1o7c n SER 9 N -4.05 1.88 0.00 7.04 2.88 -1.26 -5.09 113.62 115.02 1o7c n SER 9 Ca -0.03 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1o7c n SER 9 Cb 0.13 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1o7c n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1o7c n GLY 10 N 1.41 0.01 3.70 0.46 0.00 -1.16 -5.16 105.19 104.45 1o7c n GLY 10 Ca -0.35 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.00 1.38 -1.20 1.61 2.20 -1.26 -3.41 119.74 117.06 1o7c s LYS 11 Ca 0.00 1.18 -0.05 0.00 -0.36 0.00 0.00 55.97 56.74 1o7c s LYS 11 Cb 0.00 -1.80 -0.02 0.00 -1.51 0.00 0.00 37.83 34.51 1o7c s LYS 11 CO 0.00 -2.26 0.82 0.66 -0.36 0.00 0.00 175.35 174.21 1o7c n TYR 12 N -3.94 -2.08 -1.73 4.03 4.02 -1.20 -4.87 117.16 111.39 1o7c n TYR 12 Ca 0.09 0.80 0.00 0.00 -0.01 0.00 0.00 57.90 58.78 1o7c n TYR 12 Cb 0.53 -4.30 0.00 0.00 -0.02 0.00 0.00 39.34 35.55 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 -4.00 0.00 -3.95 -0.72 5.02 -0.97 -4.28 118.16 109.27 1o7c n LYS 13 Ca -0.21 -0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.68 1o7c n LYS 13 Cb 0.65 -0.13 -0.09 0.00 -0.02 0.00 0.00 35.03 35.44 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 3.99 0.05 -0.35 1.43 -0.15 -4.79 118.68 118.86 1o7c s LEU 14 Ca 0.00 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1o7c s LEU 14 Cb 0.00 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1o7c s LEU 14 CO 0.00 0.23 0.12 0.42 0.23 0.00 0.00 176.35 177.35 1o7c s THR 15 N 0.04 4.85 0.32 5.49 -4.23 -1.26 -2.28 115.64 118.57 1o7c s THR 15 Ca 0.07 -0.56 0.21 0.00 -1.18 0.00 0.00 61.69 60.23 1o7c s THR 15 Cb -0.12 -3.32 0.33 0.00 1.34 0.00 0.00 72.50 70.74 1o7c s THR 15 CO 0.00 0.19 1.24 0.00 -0.54 0.00 0.00 174.62 175.51 1o7c n TYR 16 N 0.59 0.74 -0.04 3.99 9.36 -1.24 0.19 117.16 130.75 1o7c n TYR 16 Ca -0.09 0.75 -0.15 0.00 3.32 0.00 0.00 57.90 61.73 1o7c n TYR 16 Cb 0.52 -1.16 -0.08 0.00 -0.63 0.00 0.00 39.34 37.98 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 1.42 0.19 -0.04 2.98 0.00 -1.93 -2.53 119.26 119.34 1o7c h ALA 17 Ca 0.68 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1o7c h ALA 17 Cb 2.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1o7c h ALA 17 CO -0.49 0.25 -0.17 0.93 0.00 0.00 0.00 179.25 179.77 1o7c h GLU 18 N -0.00 0.19 -0.71 0.00 5.08 0.18 -1.88 114.58 117.43 1o7c h GLU 18 Ca -0.01 -0.15 0.14 0.00 -1.00 0.00 0.00 59.36 58.34 1o7c h GLU 18 Cb 0.96 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.14 1o7c h GLU 18 CO 0.07 0.79 0.23 0.00 -1.00 0.00 0.00 179.01 179.10 1o7c h ALA 19 N 0.40 0.95 -0.11 3.43 0.00 0.73 -1.76 119.26 122.89 1o7c h ALA 19 Ca -0.01 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1o7c h ALA 19 Cb 0.82 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1o7c h ALA 19 CO 0.04 -0.27 -0.11 -0.22 0.00 0.00 0.00 179.25 178.68 1o7c h LYS 20 N 0.35 0.27 -0.75 0.00 3.64 -1.49 -2.63 116.57 115.97 1o7c h LYS 20 Ca 0.39 -0.15 0.17 0.00 -1.27 0.00 0.00 60.65 59.80 1o7c h LYS 20 Cb 0.61 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.31 1o7c h LYS 20 CO -0.43 0.69 0.01 0.00 -2.27 0.00 0.00 179.45 177.45 1o7c h ALA 21 N 0.58 0.79 0.20 5.00 0.00 -0.52 1.35 119.26 126.65 1o7c h ALA 21 Ca 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1o7c h ALA 21 Cb 0.64 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1o7c h ALA 21 CO 0.03 -0.42 -0.09 0.28 0.00 0.00 0.00 179.25 179.04 1o7c h VAL 22 N 0.11 0.89 -0.85 0.00 2.07 -1.38 0.66 116.25 117.75 1o7c h VAL 22 Ca 0.41 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1o7c h VAL 22 Cb 0.72 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1o7c h VAL 22 CO -0.66 0.17 0.56 0.00 0.02 0.00 0.00 177.57 177.67 1o7c n GLU 24 N -4.41 1.23 -0.05 0.00 2.13 0.46 -1.73 120.64 118.26 1o7c n GLU 24 Ca 0.10 -0.72 -0.10 0.00 0.66 0.00 0.00 57.16 57.11 1o7c n GLU 24 Cb 0.03 -1.49 -0.03 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 1.75 0.22 -1.83 4.31 3.57 0.19 -3.15 116.94 122.00 1o7c h PHE 25 Ca 0.00 0.01 -0.78 0.00 3.53 0.00 0.00 57.97 60.73 1o7c h PHE 25 Cb 0.50 -0.07 -0.21 0.00 2.79 0.00 0.00 35.95 38.96 1o7c h PHE 25 CO 0.00 0.13 1.59 0.39 -2.23 0.00 0.00 178.31 178.19 1o7c n GLU 26 N -4.98 5.05 -1.63 1.11 1.02 -1.25 -4.73 120.64 115.23 1o7c n GLU 26 Ca -0.03 -4.17 -0.13 0.00 -0.02 0.00 0.00 57.16 52.81 1o7c n GLU 26 Cb 0.04 -2.54 -0.04 0.00 -0.02 0.00 0.00 31.44 28.88 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 0.75 0.81 0.00 0.62 0.00 -1.19 -4.36 105.19 101.81 1o7c n GLY 27 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.38 5.73 3.11 -0.02 0.00 -1.22 -3.69 105.19 108.72 1o7c n GLY 28 Ca -0.13 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.81 -3.82 1.61 1.44 -0.71 -3.58 115.22 108.35 1o7c n HIS 29 Ca 0.00 -1.80 -0.36 0.00 -2.01 0.00 0.00 57.72 53.55 1o7c n HIS 29 Cb 0.00 0.66 -0.11 0.00 0.12 0.00 0.00 29.99 30.66 1o7c n HIS 29 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1o7c s LEU 30 N 0.00 3.78 0.87 2.39 2.96 -1.26 0.03 118.68 127.46 1o7c s LEU 30 Ca 0.19 -0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 53.93 1o7c s LEU 30 Cb -0.03 -2.00 -0.07 0.00 0.50 0.00 0.00 46.19 44.59 1o7c s LEU 30 CO 0.14 0.07 -0.09 0.00 -1.32 0.00 0.00 176.35 175.14 1o7c n ALA 31 N 4.26 -3.54 -2.85 5.97 0.00 0.46 -4.33 120.51 120.48 1o7c n ALA 31 Ca -0.16 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1o7c n ALA 31 Cb 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.69 0.00 0.02 0.00 -2.24 -1.26 -3.42 114.28 104.69 1o7c n THR 32 Ca 0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.81 1o7c n THR 32 Cb 0.53 -0.44 -0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1o7c n THR 32 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o7c h TYR 33 N 0.16 -0.06 -0.81 4.78 3.20 -1.94 -1.79 116.97 120.52 1o7c h TYR 33 Ca 0.00 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.06 1o7c h TYR 33 Cb 0.00 0.02 -0.13 0.00 1.54 0.00 0.00 36.73 38.16 1o7c h TYR 33 CO 0.00 -0.03 0.19 0.87 -1.64 0.00 0.00 178.16 177.55 1o7c h LYS 34 N -0.20 0.23 -0.06 1.82 1.57 -1.99 0.72 116.57 118.65 1o7c h LYS 34 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1o7c h LYS 34 Cb 0.05 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1o7c h LYS 34 CO 0.01 0.15 0.03 1.96 -0.57 0.00 0.00 179.45 181.03 1o7c h GLN 35 N 0.23 0.08 -0.48 3.15 4.20 -1.97 -1.86 115.11 118.46 1o7c h GLN 35 Ca 0.48 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 59.32 1o7c h GLN 35 Cb 0.90 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 1o7c h GLN 35 CO -0.59 0.17 0.36 1.25 -0.67 0.00 0.00 178.83 179.34 1o7c h LEU 36 N -0.03 0.00 0.62 1.46 7.12 -0.02 -1.06 115.31 123.40 1o7c h LEU 36 Ca 0.02 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.00 1o7c h LEU 36 Cb 0.11 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.25 1o7c h LEU 36 CO -0.00 0.00 -0.30 -0.08 -0.13 0.00 0.00 178.44 177.93 1o7c h GLU 37 N 0.00 -0.81 0.00 1.25 4.81 -0.20 0.27 114.58 119.90 1o7c h GLU 37 Ca 0.23 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1o7c h GLU 37 Cb 0.95 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1o7c h GLU 37 CO -0.00 -0.54 0.01 0.00 -0.73 0.00 0.00 179.01 177.75 1o7c n ALA 38 N -2.58 1.00 -0.06 2.92 0.00 -0.84 -0.38 120.51 120.57 1o7c n ALA 38 Ca -0.10 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 1o7c n ALA 38 Cb 0.33 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.61 1.51 0.06 0.00 0.00 -0.46 -4.02 120.51 116.00 1o7c n ALA 39 Ca -0.01 -1.02 -0.08 0.00 0.00 0.00 0.00 53.44 52.33 1o7c n ALA 39 Cb 0.03 -0.55 0.06 0.00 0.00 0.00 0.00 19.45 18.99 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 0.33 0.00 0.00 1.12 0.24 -2.00 114.38 114.07 1o7c h ARG 40 Ca -0.40 -0.25 0.00 0.00 -1.11 0.00 0.00 59.98 58.21 1o7c h ARG 40 Cb 2.11 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 32.12 1o7c h ARG 40 CO 0.06 0.89 0.00 0.87 -3.11 0.00 0.00 179.97 178.67 1o7c h LYS 41 N 0.23 0.00 0.00 0.20 1.57 -1.42 -2.30 116.57 114.85 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 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1o7c h LYS 41 CO 0.11 0.00 -0.67 -0.84 -0.57 0.00 0.00 179.45 177.48 1o7c h ILE 42 N 0.00 0.00 0.00 1.86 3.07 -1.65 -3.46 117.51 117.33 1o7c h ILE 42 Ca 0.00 -0.79 0.00 0.00 1.55 0.00 0.00 64.86 65.62 1o7c h ILE 42 Cb 0.43 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 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 1.23 -0.22 3.71 0.16 0.00 -0.88 -5.13 105.19 104.06 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 -0.52 3.64 -0.11 1.61 2.19 -0.77 -4.99 117.98 119.03 1o7c s PHE 44 Ca 0.00 1.64 -0.05 0.00 0.33 0.00 0.00 56.93 58.86 1o7c s PHE 44 Cb 0.00 -3.09 0.05 0.00 -1.31 0.00 0.00 43.02 38.67 1o7c s PHE 44 CO 0.00 -0.02 0.24 -1.58 1.83 0.00 0.00 175.22 175.69 1o7c s HIS 45 N 1.07 -0.34 -0.30 10.12 5.65 -1.26 -4.35 115.29 125.88 1o7c s HIS 45 Ca 0.50 0.82 -0.02 0.00 0.25 0.00 0.00 55.06 56.62 1o7c s HIS 45 Cb -0.20 -0.02 0.12 0.00 -1.18 0.00 0.00 32.58 31.30 1o7c s HIS 45 CO 0.26 -0.28 0.21 0.08 -0.65 0.00 0.00 174.74 174.36 1o7c s VAL 46 N 1.76 -0.19 -1.99 0.89 1.01 -1.14 -4.97 120.40 115.78 1o7c s VAL 46 Ca -0.04 -0.73 0.12 0.00 0.00 0.00 0.00 61.98 61.32 1o7c s VAL 46 Cb -0.11 -0.98 0.34 0.00 0.00 0.00 0.00 36.38 35.63 1o7c s VAL 46 CO -0.08 -0.64 1.15 0.00 0.00 0.00 0.00 175.10 175.52 1o7c s ALA 48 N -2.01 3.68 -0.13 0.00 0.00 -1.26 -4.99 121.76 117.04 1o7c s ALA 48 Ca 0.18 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 1o7c s ALA 48 Cb 0.08 -1.76 -0.07 0.00 0.00 0.00 0.00 23.12 21.37 1o7c s ALA 48 CO 0.14 0.64 2.11 0.00 0.00 0.00 0.00 175.76 178.65 1o7c n ALA 49 N 1.75 1.58 -3.32 0.00 0.00 -1.26 -4.64 120.51 114.62 1o7c n ALA 49 Ca -0.17 -0.04 -0.36 0.00 0.00 0.00 0.00 53.44 52.87 1o7c n ALA 49 Cb 0.54 -2.78 -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 6.61 1.71 1.07 0.00 0.00 0.11 0.44 107.32 117.25 1o7c s GLY 50 Ca 0.97 -1.31 -0.17 0.00 0.00 0.00 0.00 44.72 44.22 1o7c s GLY 50 CO 0.40 0.54 0.16 0.79 0.00 0.00 0.00 173.10 175.00 1o7c n TRP 51 N 4.83 -1.43 -3.81 1.90 7.02 -1.07 -3.15 117.44 121.73 1o7c n TRP 51 Ca -0.16 0.16 -0.05 0.00 -1.02 0.00 0.00 57.50 56.43 1o7c n TRP 51 Cb 0.49 -1.64 -0.00 0.00 -2.42 0.00 0.00 31.31 27.74 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 -3.53 1.51 1.07 -0.99 0.23 0.06 -3.75 119.30 113.90 1o7c s MET 52 Ca 0.57 -0.89 -0.18 0.00 -1.03 0.00 0.00 55.69 54.15 1o7c s MET 52 Cb -0.15 0.48 0.06 0.00 -1.53 0.00 0.00 34.83 33.69 1o7c s MET 52 CO 0.67 -0.70 -0.02 0.00 -2.03 0.00 0.00 175.02 172.94 1o7c n ALA 53 N -0.53 -3.94 0.00 3.16 0.00 -1.22 -2.59 120.51 115.39 1o7c n ALA 53 Ca -0.05 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1o7c n ALA 53 Cb 0.60 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.59 0.00 0.00 0.00 4.01 -1.26 -3.09 118.16 116.23 1o7c n LYS 54 Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 1o7c n LYS 54 Cb 0.61 -0.58 0.00 0.00 -0.51 0.00 0.00 35.03 34.55 1o7c n LYS 54 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1o7c n GLY 55 N -0.32 1.22 3.84 0.72 0.00 -1.07 -5.00 105.19 104.58 1o7c n GLY 55 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.11 2.99 -0.06 1.61 1.70 -1.18 -4.66 118.95 119.24 1o7c s ARG 56 Ca 0.00 -0.97 -0.02 0.00 -0.47 0.00 0.00 55.73 54.27 1o7c s ARG 56 Cb 0.00 -2.63 0.04 0.00 -0.57 0.00 0.00 34.95 31.79 1o7c s ARG 56 CO 0.00 0.43 0.11 0.54 -1.08 0.00 0.00 175.30 175.30 1o7c s VAL 57 N -2.02 -0.16 0.00 4.99 0.11 -1.26 -0.76 120.40 121.30 1o7c s VAL 57 Ca 0.33 0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 1o7c s VAL 57 Cb -0.09 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 1o7c s VAL 57 CO 0.25 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 1o7c n GLY 58 N 5.00 4.59 2.67 6.54 0.00 -1.19 -4.30 105.19 118.49 1o7c n GLY 58 Ca -0.11 -1.99 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.07 0.00 0.16 1.61 1.13 -0.58 0.05 117.35 118.65 1o7c s TYR 59 Ca 0.00 -1.03 -0.30 0.00 -1.41 0.00 0.00 57.07 54.33 1o7c s TYR 59 Cb 0.00 -0.56 -0.07 0.00 -1.10 0.00 0.00 41.96 40.22 1o7c s TYR 59 CO 0.00 -0.92 1.13 -1.25 -2.51 0.00 0.00 175.55 171.99 1o7c s PRO 60 N 1.38 4.55 0.04 -3.49 0.04 -1.26 -2.30 135.00 133.96 1o7c s PRO 60 Ca 0.17 1.75 0.06 0.00 0.04 0.00 0.00 61.00 63.02 1o7c s PRO 60 Cb -0.17 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 1o7c s PRO 60 CO -0.04 0.00 -0.18 0.42 0.04 0.00 0.00 177.00 177.24 1o7c s ILE 61 N -0.04 1.46 -0.25 0.56 -1.09 -1.17 -2.86 121.20 117.80 1o7c s ILE 61 Ca 0.51 -1.12 -0.07 0.00 -2.23 0.00 0.00 60.65 57.74 1o7c s ILE 61 Cb -0.30 -1.28 -0.16 0.00 -1.58 0.00 0.00 42.46 39.14 1o7c s ILE 61 CO 0.35 0.13 -0.18 1.33 -1.23 0.00 0.00 174.94 175.34 1o7c n VAL 62 N 1.88 1.54 -3.93 2.92 0.24 -1.26 -3.93 118.33 115.78 1o7c n VAL 62 Ca -0.17 -0.47 -0.32 0.00 -2.04 0.00 0.00 64.34 61.34 1o7c n VAL 62 Cb 0.54 -1.68 -0.14 0.00 -1.47 0.00 0.00 33.84 31.09 1o7c n VAL 62 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1o7c s LYS 63 N -2.51 1.90 0.17 7.34 -0.14 -1.26 -5.03 119.74 120.21 1o7c s LYS 63 Ca -0.35 -2.31 -0.31 0.00 -1.36 0.00 0.00 55.97 51.64 1o7c s LYS 63 Cb 0.11 -3.36 -0.10 0.00 -1.68 0.00 0.00 37.83 32.80 1o7c s LYS 63 CO 0.58 -1.06 1.51 -1.25 -0.76 0.00 0.00 175.35 174.37 1o7c s PRO 64 N 0.24 4.24 0.00 -1.68 0.04 -1.26 -4.81 135.00 131.77 1o7c s PRO 64 Ca 0.14 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1o7c s PRO 64 Cb -0.23 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1o7c s PRO 64 CO -0.03 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1o7c n GLY 65 N 3.37 4.22 0.00 0.56 0.00 -0.61 -4.83 105.19 107.90 1o7c n GLY 65 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.06 1.61 -0.04 -1.26 -1.64 135.00 133.73 1o7c n PRO 66 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1o7c n PRO 66 Cb 0.00 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.31 0.63 -0.06 3.54 0.23 -1.26 -1.78 115.26 116.25 1o7c n ASN 67 Ca 0.00 0.09 0.15 0.00 -0.53 0.00 0.00 54.58 54.28 1o7c n ASN 67 Cb 0.00 0.75 0.70 0.00 -2.08 0.00 0.00 39.78 39.15 1o7c n ASN 67 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1o7c n GLY 69 N 1.26 -1.80 0.54 0.00 0.00 -1.25 -4.41 105.19 99.53 1o7c n GLY 69 Ca 0.15 0.71 0.35 0.00 0.00 0.00 0.00 46.02 47.23 1o7c n GLY 69 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1o7c h PHE 70 N 0.00 0.00 0.00 1.61 3.57 -0.48 -1.62 116.94 120.02 1o7c h PHE 70 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1o7c h PHE 70 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1o7c h PHE 70 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 1o7c n GLY 71 N -1.76 0.00 3.88 2.40 0.00 -1.26 -4.88 105.19 103.57 1o7c n GLY 71 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 3.75 -0.02 1.61 1.02 -1.25 -5.10 119.74 119.75 1o7c s LYS 72 Ca 0.00 0.17 -0.00 0.00 0.02 0.00 0.00 55.97 56.16 1o7c s LYS 72 Cb 0.00 -2.71 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1o7c s LYS 72 CO 0.00 0.36 0.03 0.95 -0.92 0.00 0.00 175.35 175.77 1o7c s THR 73 N -1.77 -0.03 0.00 2.17 -4.23 -1.26 -4.66 115.64 105.86 1o7c s THR 73 Ca 0.45 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1o7c s THR 73 Cb -0.11 -0.12 0.00 0.00 1.34 0.00 0.00 72.50 73.60 1o7c s THR 73 CO 0.22 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 1o7c n GLY 74 N 4.37 -1.85 3.56 3.99 0.00 -1.25 -4.78 105.19 109.21 1o7c n GLY 74 Ca -0.24 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 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 0.00 3.50 -1.17 -0.61 1.01 -1.26 -3.03 121.20 119.65 1o7c s ILE 75 Ca 0.00 0.33 -0.22 0.00 0.00 0.00 0.00 60.65 60.76 1o7c s ILE 75 Cb 0.00 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1o7c s ILE 75 CO 0.00 -1.12 1.88 -0.63 0.00 0.00 0.00 174.94 175.07 1o7c s ILE 76 N 7.82 3.65 -0.08 2.92 -1.09 -0.97 -4.70 121.20 128.75 1o7c s ILE 76 Ca 0.59 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.98 1o7c s ILE 76 Cb -0.12 -4.64 -0.03 0.00 -1.58 0.00 0.00 42.46 36.10 1o7c s ILE 76 CO 0.21 -1.21 -0.09 -0.62 -1.23 0.00 0.00 174.94 171.99 1o7c s ASP 77 N 6.20 4.42 -0.36 3.58 2.15 -1.26 -1.53 116.67 129.87 1o7c s ASP 77 Ca 0.65 -0.12 0.07 0.00 0.43 0.00 0.00 52.55 53.58 1o7c s ASP 77 Cb -0.01 -1.23 0.62 0.00 -0.30 0.00 0.00 42.92 42.01 1o7c s ASP 77 CO 0.10 0.31 1.72 -1.22 -0.17 0.00 0.00 175.17 175.91 1o7c n TYR 78 N 2.59 2.19 -1.07 -5.34 4.02 -1.26 -5.01 117.16 113.29 1o7c n TYR 78 Ca -0.18 -1.61 0.14 0.00 -0.01 0.00 0.00 57.90 56.24 1o7c n TYR 78 Cb 0.53 -0.72 -0.05 0.00 -0.02 0.00 0.00 39.34 39.08 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 -0.95 -2.38 3.65 2.72 0.00 -1.26 -4.67 105.19 102.30 1o7c n GLY 79 Ca 0.46 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.80 3.80 -1.40 -0.61 1.01 -1.26 -4.61 121.20 115.32 1o7c s ILE 80 Ca 0.00 0.96 0.03 0.00 0.00 0.00 0.00 60.65 61.64 1o7c s ILE 80 Cb 0.00 -3.66 0.11 0.00 0.01 0.00 0.00 42.46 38.92 1o7c s ILE 80 CO 0.00 -0.13 0.87 0.54 0.00 0.00 0.00 174.94 176.22 1o7c n ARG 81 N 7.09 1.42 -3.86 2.79 5.12 -1.26 -4.86 116.66 123.10 1o7c n ARG 81 Ca 0.17 -0.43 -0.27 0.00 -1.93 0.00 0.00 57.85 55.38 1o7c n ARG 81 Cb 0.44 -1.37 0.02 0.00 -1.16 0.00 0.00 32.46 30.39 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 -0.03 -2.69 -2.81 0.55 -0.00 -1.26 -4.92 117.00 105.83 1o7c n LEU 82 Ca 0.04 -0.81 -0.03 0.00 -0.00 0.00 0.00 56.01 55.21 1o7c n LEU 82 Cb 0.25 -2.56 0.01 0.00 -0.00 0.00 0.00 43.42 41.12 1o7c n LEU 82 CO 0.04 0.45 0.22 0.21 -0.00 0.00 0.00 177.39 178.31 1o7c s ASN 83 N -3.69 -1.12 0.00 1.96 3.04 -1.26 -4.99 114.94 108.88 1o7c s ASN 83 Ca 0.43 -1.16 0.15 0.00 0.04 0.00 0.00 52.86 52.31 1o7c s ASN 83 Cb -0.22 1.46 0.85 0.00 -1.54 0.00 0.00 41.25 41.80 1o7c s ASN 83 CO 0.83 -0.06 1.31 0.54 -3.04 0.00 0.00 177.10 176.69 1o7c n ARG 84 N 3.14 0.41 0.00 0.43 3.00 -1.26 -2.93 116.66 119.46 1o7c n ARG 84 Ca 0.15 0.03 0.00 0.00 -0.01 0.00 0.00 57.85 58.02 1o7c n ARG 84 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.55 1o7c n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1o7c n SER 85 N -1.06 0.26 -3.35 0.55 2.88 -1.26 -3.67 113.62 107.97 1o7c n SER 85 Ca 0.10 -1.60 -0.22 0.00 -1.33 0.00 0.00 58.87 55.83 1o7c n SER 85 Cb 0.06 -0.13 0.16 0.00 -0.75 0.00 0.00 64.21 63.55 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 -0.30 -1.45 -3.75 -1.46 -0.58 -1.15 -5.03 120.64 106.92 1o7c n GLU 86 Ca 0.00 -1.43 -0.26 0.00 -0.42 0.00 0.00 57.16 55.05 1o7c n GLU 86 Cb 0.07 -1.06 -0.17 0.00 -0.57 0.00 0.00 31.44 29.71 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 -5.03 0.69 0.00 3.49 1.70 -1.26 -4.26 118.95 114.28 1o7c s ARG 87 Ca 0.54 -0.27 0.00 0.00 -0.47 0.00 0.00 55.73 55.53 1o7c s ARG 87 Cb -0.03 -1.77 0.00 0.00 -0.57 0.00 0.00 34.95 32.58 1o7c s ARG 87 CO 0.39 -0.53 0.00 0.91 -1.08 0.00 0.00 175.30 174.99 1o7c n TRP 88 N 5.07 -0.02 -2.28 5.89 7.02 -0.96 -4.36 117.44 127.79 1o7c n TRP 88 Ca -0.09 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.37 1o7c n TRP 88 Cb 0.48 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.38 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 -0.06 0.13 -3.75 -0.99 8.00 0.17 -0.98 116.55 119.07 1o7c n ASP 89 Ca 0.00 -1.11 -0.15 0.00 0.71 0.00 0.00 54.79 54.24 1o7c n ASP 89 Cb 0.00 -0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 40.88 1o7c n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1o7c s ALA 90 N -2.80 -0.00 -0.48 2.24 0.00 -0.68 -2.60 121.76 117.44 1o7c s ALA 90 Ca 0.06 0.40 -0.21 0.00 0.00 0.00 0.00 51.96 52.21 1o7c s ALA 90 Cb -0.00 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.79 1o7c s ALA 90 CO 0.04 -0.18 0.71 0.71 0.00 0.00 0.00 175.76 177.05 1o7c s TYR 91 N 1.26 3.00 0.26 0.00 2.02 -1.25 -0.55 117.35 122.09 1o7c s TYR 91 Ca -0.07 -0.17 -0.13 0.00 -0.37 0.00 0.00 57.07 56.33 1o7c s TYR 91 Cb -0.13 -3.58 -0.08 0.00 -0.40 0.00 0.00 41.96 37.77 1o7c s TYR 91 CO -0.04 -1.03 0.64 0.00 -1.57 0.00 0.00 175.55 173.56 1o7c s TYR 93 N -1.85 0.46 -0.75 0.00 5.04 0.10 -0.98 117.35 119.37 1o7c s TYR 93 Ca 0.49 -0.08 0.03 0.00 -2.44 0.00 0.00 57.07 55.07 1o7c s TYR 93 Cb -0.11 -0.45 0.18 0.00 0.35 0.00 0.00 41.96 41.93 1o7c s TYR 93 CO 0.19 -0.12 0.56 -0.80 -1.34 0.00 0.00 175.55 174.05 1o7c s ASN 94 N 0.73 5.17 -0.08 4.32 0.02 -0.27 -2.36 114.94 122.48 1o7c s ASN 94 Ca -0.08 -3.73 -0.15 0.00 -1.02 0.00 0.00 52.86 47.87 1o7c s ASN 94 Cb -0.11 -1.73 -0.12 0.00 0.02 0.00 0.00 41.25 39.31 1o7c s ASN 94 CO -0.01 -0.13 0.57 1.55 0.02 0.00 0.00 177.10 179.10 1o7c h PRO 95 N 5.70 -0.17 0.00 -0.60 0.13 -1.90 -3.40 132.00 131.76 1o7c h PRO 95 Ca 0.13 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1o7c h PRO 95 Cb 0.79 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1o7c h PRO 95 CO 0.76 0.18 -0.00 1.58 -0.23 0.00 0.00 178.00 180.29 1o7c n HIS 96 N -4.87 0.00 -1.01 1.56 -0.00 -1.26 -4.86 115.22 104.77 1o7c n HIS 96 Ca -0.06 -0.35 -0.21 0.00 -0.00 0.00 0.00 57.72 57.10 1o7c n HIS 96 Cb 0.22 -0.04 -0.09 0.00 -0.00 0.00 0.00 29.99 30.07 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 -0.36 6.25 -0.86 1.57 0.00 -1.24 -4.88 120.51 120.99 1o7c n ALA 97 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 53.44 51.14 1o7c n ALA 97 Cb 0.33 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.03 1o7c n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67