#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7b s VAL 2 N 0.00 4.23 0.23 1.61 0.11 -1.26 -3.06 120.40 122.26 1o7b s VAL 2 Ca 0.00 1.72 0.04 0.00 -2.93 0.00 0.00 61.98 60.81 1o7b s VAL 2 Cb 0.00 -4.10 -0.05 0.00 -1.53 0.00 0.00 36.38 30.70 1o7b s VAL 2 CO 0.00 0.20 -0.03 -0.72 -3.33 0.00 0.00 175.10 171.22 1o7b s TYR 3 N 0.54 1.60 0.07 1.54 1.13 0.22 -4.93 117.35 117.51 1o7b s TYR 3 Ca 0.53 -0.86 -0.09 0.00 -1.41 0.00 0.00 57.07 55.24 1o7b s TYR 3 Cb -0.27 -0.91 -0.06 0.00 -1.10 0.00 0.00 41.96 39.63 1o7b s TYR 3 CO 0.31 0.04 0.37 -3.38 -2.51 0.00 0.00 175.55 170.37 1o7b s HIS 4 N -3.33 3.58 0.03 -3.49 -3.43 -1.26 0.87 115.29 108.25 1o7b s HIS 4 Ca 0.27 0.73 -0.05 0.00 -0.80 0.00 0.00 55.06 55.20 1o7b s HIS 4 Cb 0.05 -2.11 -0.01 0.00 -1.43 0.00 0.00 32.58 29.08 1o7b s HIS 4 CO 0.08 0.54 0.09 1.03 -2.00 0.00 0.00 174.74 174.48 1o7b s ARG 5 N -1.91 0.54 0.10 -0.38 1.81 0.12 -4.86 118.95 114.37 1o7b s ARG 5 Ca 0.32 -0.66 0.01 0.00 -1.72 0.00 0.00 55.73 53.68 1o7b s ARG 5 Cb -0.14 0.21 0.01 0.00 -0.45 0.00 0.00 34.95 34.59 1o7b s ARG 5 CO 0.18 -0.13 0.12 0.39 -0.68 0.00 0.00 175.30 175.18 1o7b n GLU 6 N 0.99 1.05 0.00 3.54 4.71 -1.26 -1.56 120.64 128.11 1o7b n GLU 6 Ca -0.20 -0.57 0.00 0.00 -0.01 0.00 0.00 57.16 56.38 1o7b n GLU 6 Cb 0.57 -0.01 0.00 0.00 -1.01 0.00 0.00 31.44 30.99 1o7b n GLU 6 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1o7b n ALA 7 N -2.86 0.00 0.15 0.62 0.00 0.16 -4.83 120.51 113.75 1o7b n ALA 7 Ca -0.03 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.59 1o7b n ALA 7 Cb 0.11 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.33 1o7b n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o7b h ARG 8 N 0.00 0.00 0.00 0.00 3.08 -1.98 -3.34 114.38 112.14 1o7b h ARG 8 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1o7b h ARG 8 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1o7b h ARG 8 CO 0.00 0.00 0.03 0.45 -1.07 0.00 0.00 179.97 179.38 1o7b n SER 9 N -3.94 -0.93 0.00 7.04 2.88 -1.26 -5.16 113.62 112.24 1o7b n SER 9 Ca 0.04 -1.61 0.00 0.00 -1.33 0.00 0.00 58.87 55.97 1o7b n SER 9 Cb 0.42 0.69 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 1o7b n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1o7b n GLY 10 N -0.50 0.43 3.77 0.46 0.00 -1.25 -5.17 105.19 102.93 1o7b n GLY 10 Ca -0.16 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 1o7b n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o7b s LYS 11 N -2.00 2.76 -0.91 1.61 2.20 -1.26 0.40 119.74 122.54 1o7b s LYS 11 Ca 0.00 -1.09 -0.08 0.00 -0.36 0.00 0.00 55.97 54.44 1o7b s LYS 11 Cb 0.00 -2.49 -0.00 0.00 -1.51 0.00 0.00 37.83 33.83 1o7b s LYS 11 CO 0.00 0.41 0.69 0.66 -0.36 0.00 0.00 175.35 176.76 1o7b n TYR 12 N -0.88 -2.25 -1.62 4.03 4.02 -1.25 -4.89 117.16 114.32 1o7b n TYR 12 Ca -0.08 0.78 -0.02 0.00 -0.01 0.00 0.00 57.90 58.57 1o7b n TYR 12 Cb 0.57 -3.37 -0.02 0.00 -0.02 0.00 0.00 39.34 36.50 1o7b n TYR 12 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1o7b n LYS 13 N -2.94 0.00 -4.61 -0.72 2.85 -1.02 -4.61 118.16 107.11 1o7b n LYS 13 Ca -0.15 -0.29 -0.34 0.00 -1.05 0.00 0.00 58.31 56.48 1o7b n LYS 13 Cb 0.60 0.44 -0.11 0.00 -0.65 0.00 0.00 35.03 35.31 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1o7b s LEU 14 N 0.00 3.18 0.00 -5.58 1.43 -0.42 -4.82 118.68 112.47 1o7b s LEU 14 Ca 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1o7b s LEU 14 Cb 0.00 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1o7b s LEU 14 CO 0.00 0.35 0.00 0.35 0.23 0.00 0.00 176.35 177.28 1o7b n THR 15 N 2.29 0.00 -0.03 5.49 -2.24 -1.25 -2.36 114.28 116.18 1o7b n THR 15 Ca -0.18 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1o7b n THR 15 Cb 0.53 -1.13 -0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1o7b n THR 15 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o7b h TYR 16 N -0.01 0.00 -0.27 4.78 3.20 -0.86 -2.36 116.97 121.45 1o7b h TYR 16 Ca 0.00 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1o7b h TYR 16 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1o7b h TYR 16 CO 0.00 0.00 0.19 0.00 -1.64 0.00 0.00 178.16 176.71 1o7b h ALA 17 N -1.50 2.09 -0.07 1.82 0.00 -1.98 -1.39 119.26 118.23 1o7b h ALA 17 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1o7b h ALA 17 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1o7b h ALA 17 CO 0.00 -0.15 -0.23 0.93 0.00 0.00 0.00 179.25 179.80 1o7b h GLU 18 N 0.13 0.28 -0.85 0.00 5.08 -1.94 -2.70 114.58 114.58 1o7b h GLU 18 Ca 0.12 -0.21 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1o7b h GLU 18 Cb 0.32 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 1o7b h GLU 18 CO -0.02 0.83 0.53 0.00 -1.00 0.00 0.00 179.01 179.35 1o7b h ALA 19 N 0.45 1.16 -0.31 3.43 0.00 -0.79 0.21 119.26 123.40 1o7b h ALA 19 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1o7b h ALA 19 Cb 0.85 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1o7b h ALA 19 CO 0.05 0.28 0.14 -0.22 0.00 0.00 0.00 179.25 179.50 1o7b h LYS 20 N 0.97 0.46 -0.10 0.00 3.64 -1.30 -1.74 116.57 118.48 1o7b h LYS 20 Ca 0.37 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1o7b h LYS 20 Cb 0.15 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1o7b h LYS 20 CO -0.17 0.44 -0.03 0.00 -2.27 0.00 0.00 179.45 177.43 1o7b h ALA 21 N 0.99 0.14 -0.95 5.00 0.00 -1.09 -0.81 119.26 122.55 1o7b h ALA 21 Ca 0.11 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 54.97 1o7b h ALA 21 Cb 0.14 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 1o7b h ALA 21 CO -0.01 -0.12 0.60 0.28 0.00 0.00 0.00 179.25 180.00 1o7b h VAL 22 N -0.12 0.76 0.40 0.00 2.07 -0.56 0.23 116.25 119.04 1o7b h VAL 22 Ca 0.03 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1o7b h VAL 22 Cb 0.44 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1o7b h VAL 22 CO 0.01 0.12 -0.19 0.00 0.02 0.00 0.00 177.57 177.53 1o7b n GLU 24 N -4.85 0.00 0.06 0.00 0.00 -0.32 -0.09 120.64 115.44 1o7b n GLU 24 Ca -0.07 0.43 -0.05 0.00 0.00 0.00 0.00 57.16 57.48 1o7b n GLU 24 Cb 0.21 -1.58 -0.09 0.00 0.00 0.00 0.00 31.44 29.99 1o7b n GLU 24 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1o7b h PHE 25 N 0.00 0.00 -0.02 4.31 3.57 -0.47 -3.26 116.94 121.07 1o7b h PHE 25 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1o7b h PHE 25 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1o7b h PHE 25 CO 0.00 0.85 -0.37 0.39 -2.23 0.00 0.00 178.31 176.96 1o7b n GLU 26 N -3.24 1.26 0.00 1.11 -0.58 0.87 -4.97 120.64 115.09 1o7b n GLU 26 Ca -0.03 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.73 1o7b n GLU 26 Cb 0.90 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 1o7b n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1o7b n GLY 27 N 1.39 0.84 0.00 0.62 0.00 -0.94 -4.99 105.19 102.11 1o7b n GLY 27 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1o7b n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o7b n GLY 28 N 0.00 -0.95 3.61 -0.02 0.00 -1.15 -4.35 105.19 102.33 1o7b n GLY 28 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 1o7b n GLY 28 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1o7b s HIS 29 N -3.00 0.57 -0.31 1.61 -3.43 -0.76 -1.57 115.29 108.40 1o7b s HIS 29 Ca 0.00 -0.95 -0.28 0.00 -0.80 0.00 0.00 55.06 53.02 1o7b s HIS 29 Cb 0.00 0.25 -0.02 0.00 -1.43 0.00 0.00 32.58 31.37 1o7b s HIS 29 CO 0.00 -1.19 1.88 -0.51 -2.00 0.00 0.00 174.74 172.92 1o7b s LEU 30 N -3.11 3.49 0.00 5.38 1.43 -1.26 -0.74 118.68 123.86 1o7b s LEU 30 Ca 0.24 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1o7b s LEU 30 Cb -0.02 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1o7b s LEU 30 CO 0.14 -1.77 0.00 0.00 0.23 0.00 0.00 176.35 174.95 1o7b n ALA 31 N 10.60 0.00 -2.29 4.21 0.00 -0.52 -4.27 120.51 128.24 1o7b n ALA 31 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 1o7b n ALA 31 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 1o7b n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1o7b s THR 32 N -0.60 0.85 0.13 0.00 -4.23 -1.26 -2.49 115.64 108.04 1o7b s THR 32 Ca 0.00 -2.01 -0.23 0.00 -1.18 0.00 0.00 61.69 58.27 1o7b s THR 32 Cb 0.00 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1o7b s THR 32 CO 0.00 -0.36 1.66 0.22 -0.54 0.00 0.00 174.62 175.60 1o7b h TYR 33 N 2.56 -0.43 -0.45 3.99 3.20 -1.97 0.57 116.97 124.44 1o7b h TYR 33 Ca -0.38 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.59 1o7b h TYR 33 Cb 1.22 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 39.63 1o7b h TYR 33 CO 0.55 -0.24 0.07 0.87 -1.64 0.00 0.00 178.16 177.77 1o7b h LYS 34 N -0.24 0.19 -0.59 1.82 1.57 -2.00 0.18 116.57 117.50 1o7b h LYS 34 Ca 0.08 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1o7b h LYS 34 Cb 0.35 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1o7b h LYS 34 CO -0.21 0.13 0.39 1.96 -0.57 0.00 0.00 179.45 181.15 1o7b h GLN 35 N 0.20 0.76 -0.19 3.15 4.20 -1.82 -0.40 115.11 121.00 1o7b h GLN 35 Ca 0.22 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 1o7b h GLN 35 Cb 0.29 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1o7b h GLN 35 CO -0.31 0.50 -0.10 1.25 -0.67 0.00 0.00 178.83 179.50 1o7b h LEU 36 N 0.78 0.28 0.68 1.46 7.12 0.11 -2.32 115.31 123.41 1o7b h LEU 36 Ca 0.22 -0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.14 1o7b h LEU 36 Cb -0.06 -0.07 0.01 0.00 -0.53 0.00 0.00 40.66 40.01 1o7b h LEU 36 CO -0.05 0.42 -0.33 -0.08 -0.13 0.00 0.00 178.44 178.27 1o7b h GLU 37 N 0.28 -0.88 -0.82 1.25 4.57 0.02 -1.53 114.58 117.47 1o7b h GLU 37 Ca 0.06 0.06 0.23 0.00 -1.18 0.00 0.00 59.36 58.52 1o7b h GLU 37 Cb 0.37 0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 29.12 1o7b h GLU 37 CO 0.02 -0.55 0.58 0.00 -1.18 0.00 0.00 179.01 177.88 1o7b h ALA 38 N -0.82 2.66 -0.01 2.92 0.00 -1.33 0.92 119.26 123.60 1o7b h ALA 38 Ca -0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1o7b h ALA 38 Cb 0.73 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1o7b h ALA 38 CO 0.15 -0.90 -0.56 0.00 0.00 0.00 0.00 179.25 177.94 1o7b h ALA 39 N 1.60 1.05 -0.15 0.00 0.00 -0.98 -2.92 119.26 117.87 1o7b h ALA 39 Ca 0.40 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1o7b h ALA 39 Cb 1.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1o7b h ALA 39 CO -0.04 0.70 -0.56 -0.09 0.00 0.00 0.00 179.25 179.27 1o7b h ARG 40 N 0.02 0.45 -0.90 0.00 2.43 0.19 -1.59 114.38 114.98 1o7b h ARG 40 Ca -0.00 -0.29 0.20 0.00 -0.81 0.00 0.00 59.98 59.08 1o7b h ARG 40 Cb 1.00 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.52 1o7b h ARG 40 CO 0.07 0.89 0.60 0.87 -1.51 0.00 0.00 179.97 180.89 1o7b h LYS 41 N 0.34 0.41 0.00 0.20 1.57 -1.15 0.94 116.57 118.88 1o7b h LYS 41 Ca 0.00 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.55 1o7b h LYS 41 Cb 1.08 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 1o7b h LYS 41 CO 0.10 0.27 -1.23 -0.84 -0.57 0.00 0.00 179.45 177.18 1o7b h ILE 42 N 0.42 1.03 0.00 1.86 -0.00 -1.62 -3.48 117.51 115.71 1o7b h ILE 42 Ca 0.47 -2.67 0.00 0.00 -0.00 0.00 0.00 64.86 62.66 1o7b h ILE 42 Cb 1.15 2.46 0.00 0.00 -0.00 0.00 0.00 36.82 40.43 1o7b h ILE 42 CO -0.18 0.58 0.00 0.61 -0.00 0.00 0.00 178.15 179.16 1o7b n GLY 43 N 1.40 0.94 3.50 0.16 0.00 0.33 -5.07 105.19 106.45 1o7b n GLY 43 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1o7b n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1o7b s PHE 44 N -0.65 3.00 -0.36 1.61 5.36 -0.61 -4.97 117.98 121.36 1o7b s PHE 44 Ca 0.00 -1.44 -0.11 0.00 -0.96 0.00 0.00 56.93 54.43 1o7b s PHE 44 Cb 0.00 -4.47 0.02 0.00 -0.34 0.00 0.00 43.02 38.23 1o7b s PHE 44 CO 0.00 -1.63 0.19 -1.58 -1.46 0.00 0.00 175.22 170.74 1o7b s HIS 45 N 3.28 3.23 -0.08 10.12 5.65 -1.26 -4.67 115.29 131.55 1o7b s HIS 45 Ca 0.41 -0.85 -0.03 0.00 0.25 0.00 0.00 55.06 54.84 1o7b s HIS 45 Cb -0.02 -2.42 0.05 0.00 -1.18 0.00 0.00 32.58 29.01 1o7b s HIS 45 CO -0.05 -0.59 0.16 0.08 -0.65 0.00 0.00 174.74 173.69 1o7b s VAL 46 N 1.57 -0.23 -2.00 0.89 1.01 -0.80 -4.92 120.40 115.92 1o7b s VAL 46 Ca 0.03 0.33 0.28 0.00 0.00 0.00 0.00 61.98 62.61 1o7b s VAL 46 Cb -0.19 -0.29 0.79 0.00 0.00 0.00 0.00 36.38 36.69 1o7b s VAL 46 CO 0.07 0.14 2.00 0.00 0.00 0.00 0.00 175.10 177.31 1o7b s ALA 48 N -2.00 3.61 -0.28 0.00 0.00 -1.26 -4.84 121.76 116.99 1o7b s ALA 48 Ca 0.41 -2.68 -0.40 0.00 0.00 0.00 0.00 51.96 49.30 1o7b s ALA 48 Cb 0.19 -3.61 -0.15 0.00 0.00 0.00 0.00 23.12 19.55 1o7b s ALA 48 CO 0.32 -2.43 1.80 0.00 0.00 0.00 0.00 175.76 175.45 1o7b n ALA 49 N 5.62 -0.00 -2.71 0.00 0.00 -1.25 -4.61 120.51 117.55 1o7b n ALA 49 Ca 0.04 0.34 -0.36 0.00 0.00 0.00 0.00 53.44 53.45 1o7b n ALA 49 Cb 0.45 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.55 1o7b n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1o7b s GLY 50 N 3.98 2.07 0.59 0.00 0.00 -0.72 0.39 107.32 113.63 1o7b s GLY 50 Ca 1.00 -0.67 -0.20 0.00 0.00 0.00 0.00 44.72 44.85 1o7b s GLY 50 CO 0.64 0.31 1.30 -0.98 0.00 0.00 0.00 173.10 174.37 1o7b s TRP 51 N 0.61 2.24 0.00 1.90 0.52 -1.07 -4.04 118.94 119.11 1o7b s TRP 51 Ca 0.11 1.45 0.00 0.00 0.02 0.00 0.00 56.10 57.67 1o7b s TRP 51 Cb -0.12 -3.68 0.00 0.00 -1.15 0.00 0.00 33.47 28.51 1o7b s TRP 51 CO 0.01 -2.73 0.00 0.00 0.02 0.00 0.00 176.95 174.25 1o7b n MET 52 N -1.46 0.00 -1.59 4.98 0.00 -0.31 -3.37 117.12 115.38 1o7b n MET 52 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.45 1o7b n MET 52 Cb 0.47 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.74 1o7b n MET 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1o7b n ALA 53 N -3.00 -0.06 0.00 3.17 0.00 -1.04 -1.23 120.51 118.35 1o7b n ALA 53 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1o7b n ALA 53 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1o7b n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o7b n LYS 54 N -0.74 0.00 -0.09 0.00 4.01 -1.26 -2.65 118.16 117.43 1o7b n LYS 54 Ca 0.13 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 1o7b n LYS 54 Cb 0.47 -2.12 0.00 0.00 -0.51 0.00 0.00 35.03 32.86 1o7b n LYS 54 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1o7b n GLY 55 N -1.60 1.79 3.82 0.72 0.00 -0.37 -4.99 105.19 104.56 1o7b n GLY 55 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1o7b n GLY 55 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1o7b s ARG 56 N -1.01 4.27 -0.01 1.61 3.52 -1.08 -4.63 118.95 121.62 1o7b s ARG 56 Ca 0.00 1.08 0.02 0.00 -0.13 0.00 0.00 55.73 56.70 1o7b s ARG 56 Cb 0.00 -2.40 -0.00 0.00 -1.56 0.00 0.00 34.95 30.99 1o7b s ARG 56 CO 0.00 0.09 -0.07 0.14 -0.81 0.00 0.00 175.30 174.65 1o7b s VAL 57 N -1.99 0.61 0.05 7.11 -7.23 -1.26 -1.16 120.40 116.53 1o7b s VAL 57 Ca 0.57 -0.31 -0.27 0.00 -1.81 0.00 0.00 61.98 60.16 1o7b s VAL 57 Cb -0.12 -0.52 0.09 0.00 0.56 0.00 0.00 36.38 36.39 1o7b s VAL 57 CO 0.16 0.18 0.84 -0.83 -0.31 0.00 0.00 175.10 175.14 1o7b s GLY 58 N -0.06 -0.46 -0.22 2.32 0.00 -1.26 -3.57 107.32 104.07 1o7b s GLY 58 Ca 0.01 0.79 -0.04 0.00 0.00 0.00 0.00 44.72 45.48 1o7b s GLY 58 CO -0.00 0.26 0.12 -2.52 0.00 0.00 0.00 173.10 170.95 1o7b s TYR 59 N -3.28 0.21 -0.55 1.90 1.13 0.09 -1.75 117.35 115.10 1o7b s TYR 59 Ca 0.05 -0.51 -0.27 0.00 -1.41 0.00 0.00 57.07 54.93 1o7b s TYR 59 Cb -0.01 -0.75 -0.02 0.00 -1.10 0.00 0.00 41.96 40.08 1o7b s TYR 59 CO -0.08 -0.65 1.81 -1.25 -2.51 0.00 0.00 175.55 172.87 1o7b s PRO 60 N 2.14 2.82 -0.61 -3.49 0.04 -1.20 -1.24 135.00 133.46 1o7b s PRO 60 Ca 0.05 0.76 -0.19 0.00 0.04 0.00 0.00 61.00 61.66 1o7b s PRO 60 Cb -0.16 -4.33 0.10 0.00 0.04 0.00 0.00 34.50 30.16 1o7b s PRO 60 CO -0.21 -2.49 0.73 0.42 0.04 0.00 0.00 177.00 175.49 1o7b s ILE 61 N 8.40 4.79 -0.13 0.56 -1.09 -0.96 -1.91 121.20 130.87 1o7b s ILE 61 Ca 0.68 -0.99 0.18 0.00 -2.23 0.00 0.00 60.65 58.30 1o7b s ILE 61 Cb -0.14 -4.51 -0.22 0.00 -1.58 0.00 0.00 42.46 36.01 1o7b s ILE 61 CO 0.24 -1.16 0.50 0.52 -1.23 0.00 0.00 174.94 173.81 1o7b n VAL 62 N 5.55 1.05 -3.97 2.92 0.31 -1.26 -2.41 118.33 120.53 1o7b n VAL 62 Ca -0.08 -0.72 -0.30 0.00 -0.01 0.00 0.00 64.34 63.23 1o7b n VAL 62 Cb 0.43 -0.53 -0.14 0.00 -0.91 0.00 0.00 33.84 32.68 1o7b n VAL 62 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1o7b s LYS 63 N -2.88 1.66 0.96 5.55 2.36 -1.26 -4.96 119.74 121.17 1o7b s LYS 63 Ca -0.06 -2.18 -0.10 0.00 -2.55 0.00 0.00 55.97 51.07 1o7b s LYS 63 Cb 0.09 -3.18 0.17 0.00 -1.05 0.00 0.00 37.83 33.86 1o7b s LYS 63 CO 0.84 -1.02 1.13 -1.25 1.55 0.00 0.00 175.35 176.59 1o7b s PRO 64 N 0.38 0.65 0.23 4.03 0.04 -1.26 -4.51 135.00 134.56 1o7b s PRO 64 Ca 0.14 1.46 -0.21 0.00 0.04 0.00 0.00 61.00 62.43 1o7b s PRO 64 Cb -0.22 -1.69 0.07 0.00 0.04 0.00 0.00 34.50 32.69 1o7b s PRO 64 CO -0.05 -2.86 0.95 0.20 0.04 0.00 0.00 177.00 175.29 1o7b s GLY 65 N -2.61 0.09 0.00 0.56 0.00 -1.26 -4.71 107.32 99.39 1o7b s GLY 65 Ca 0.67 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1o7b s GLY 65 CO 0.59 1.17 0.29 -1.05 0.00 0.00 0.00 173.10 174.10 1o7b n PRO 66 N -0.60 0.33 0.00 2.90 -0.02 -1.26 -3.47 135.00 132.88 1o7b n PRO 66 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1o7b n PRO 66 Cb 0.60 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 1o7b n PRO 66 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1o7b n ASN 67 N -0.31 0.00 0.06 2.55 0.23 -1.26 -5.04 115.26 111.49 1o7b n ASN 67 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1o7b n ASN 67 Cb 0.02 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1o7b s GLY 69 N -2.00 1.41 0.00 0.00 0.00 -1.25 -4.84 107.32 100.64 1o7b s GLY 69 Ca 0.00 0.68 0.27 0.00 0.00 0.00 0.00 44.72 45.67 1o7b s GLY 69 CO 0.00 2.97 1.96 0.69 0.00 0.00 0.00 173.10 178.72 1o7b n PHE 70 N 7.67 0.02 0.00 1.90 3.72 -1.26 -4.58 117.46 124.92 1o7b n PHE 70 Ca 0.18 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.57 1o7b n PHE 70 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1o7b n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1o7b n GLY 71 N 0.97 2.15 3.96 1.37 0.00 -1.26 -5.09 105.19 107.28 1o7b n GLY 71 Ca 0.20 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 1o7b n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o7b s LYS 72 N 0.00 1.40 -0.16 1.61 -0.14 -1.26 -5.00 119.74 116.18 1o7b s LYS 72 Ca 0.00 -0.77 -0.00 0.00 -1.36 0.00 0.00 55.97 53.84 1o7b s LYS 72 Cb 0.00 -2.15 -0.00 0.00 -1.68 0.00 0.00 37.83 34.00 1o7b s LYS 72 CO 0.00 -1.74 -0.14 0.95 -0.76 0.00 0.00 175.35 173.66 1o7b s THR 73 N -3.40 2.76 0.00 2.17 -4.23 -1.26 -4.86 115.64 106.82 1o7b s THR 73 Ca 0.68 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1o7b s THR 73 Cb -0.05 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1o7b s THR 73 CO 0.47 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.67 1o7b n GLY 74 N 4.08 2.67 3.62 3.99 0.00 -1.01 -4.98 105.19 113.56 1o7b n GLY 74 Ca -0.19 -1.35 -0.46 0.00 0.00 0.00 0.00 46.02 44.03 1o7b n GLY 74 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1o7b n ILE 75 N -1.43 0.52 -3.12 -0.61 5.41 -1.26 -2.25 119.36 116.62 1o7b n ILE 75 Ca 0.00 -0.23 -0.45 0.00 1.00 0.00 0.00 62.75 63.07 1o7b n ILE 75 Cb 0.00 -2.15 -0.01 0.00 -0.71 0.00 0.00 39.64 36.76 1o7b n ILE 75 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1o7b s ILE 76 N 5.78 5.28 -0.06 1.39 1.01 -0.37 -4.83 121.20 129.40 1o7b s ILE 76 Ca 0.96 -2.40 0.03 0.00 0.00 0.00 0.00 60.65 59.24 1o7b s ILE 76 Cb -0.55 -4.69 0.01 0.00 0.01 0.00 0.00 42.46 37.24 1o7b s ILE 76 CO 0.44 -1.34 -0.13 -0.62 0.00 0.00 0.00 174.94 173.29 1o7b s ASP 77 N 2.62 1.77 -0.25 3.58 2.15 -1.26 -0.73 116.67 124.55 1o7b s ASP 77 Ca 0.31 -0.30 0.13 0.00 0.43 0.00 0.00 52.55 53.12 1o7b s ASP 77 Cb -0.07 -0.74 0.68 0.00 -0.30 0.00 0.00 42.92 42.50 1o7b s ASP 77 CO -0.07 0.06 1.64 0.00 -0.17 0.00 0.00 175.17 176.63 1o7b n TYR 78 N 3.65 1.76 -1.68 -5.34 4.19 -1.23 -5.00 117.16 113.51 1o7b n TYR 78 Ca -0.22 -0.99 0.17 0.00 3.31 0.00 0.00 57.90 60.17 1o7b n TYR 78 Cb 0.52 -0.50 -0.04 0.00 0.49 0.00 0.00 39.34 39.81 1o7b n TYR 78 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1o7b n GLY 79 N -0.12 -1.69 3.45 2.98 0.00 -1.26 -4.51 105.19 104.04 1o7b n GLY 79 Ca 0.30 -1.06 -0.51 0.00 0.00 0.00 0.00 46.02 44.75 1o7b n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1o7b n ILE 80 N -3.85 0.19 0.76 -0.61 2.08 -1.26 -4.61 119.36 112.06 1o7b n ILE 80 Ca 0.01 -0.24 0.03 0.00 0.56 0.00 0.00 62.75 63.11 1o7b n ILE 80 Cb 0.57 -1.58 0.12 0.00 -0.75 0.00 0.00 39.64 38.00 1o7b n ILE 80 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1o7b n ARG 81 N 8.02 1.96 -2.94 0.38 -4.01 -1.26 -4.86 116.66 113.95 1o7b n ARG 81 Ca 0.41 -0.95 -0.11 0.00 -1.04 0.00 0.00 57.85 56.16 1o7b n ARG 81 Cb 0.21 -1.51 0.05 0.00 -3.04 0.00 0.00 32.46 28.18 1o7b n ARG 81 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1o7b n LEU 82 N 0.20 -3.03 -2.72 2.89 7.99 -1.26 -5.00 117.00 116.08 1o7b n LEU 82 Ca 0.09 -0.34 -0.00 0.00 -0.01 0.00 0.00 56.01 55.75 1o7b n LEU 82 Cb 0.40 -1.98 0.02 0.00 -0.11 0.00 0.00 43.42 41.75 1o7b n LEU 82 CO 0.08 0.28 0.49 0.21 -1.51 0.00 0.00 177.39 176.94 1o7b s ASN 83 N -3.54 -0.26 0.00 -1.43 3.84 -1.26 -5.00 114.94 107.28 1o7b s ASN 83 Ca 0.13 -0.20 0.00 0.00 0.21 0.00 0.00 52.86 53.00 1o7b s ASN 83 Cb -0.06 0.34 0.00 0.00 -0.55 0.00 0.00 41.25 40.98 1o7b s ASN 83 CO 0.42 -0.02 0.43 -2.11 -2.79 0.00 0.00 177.10 173.03 1o7b n ARG 84 N 3.24 0.84 -0.48 0.43 0.00 -1.26 -2.99 116.66 116.44 1o7b n ARG 84 Ca 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.99 1o7b n ARG 84 Cb 0.64 -1.41 0.16 0.00 -0.00 0.00 0.00 32.46 31.85 1o7b n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1o7b n SER 85 N 0.09 1.78 -2.89 2.89 7.64 -1.26 -0.13 113.62 121.74 1o7b n SER 85 Ca 0.00 -3.36 -0.11 0.00 1.01 0.00 0.00 58.87 56.41 1o7b n SER 85 Cb 0.22 -0.46 0.09 0.00 -1.01 0.00 0.00 64.21 63.05 1o7b n SER 85 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1o7b n GLU 86 N -1.03 -1.69 -3.44 1.43 -0.58 -1.16 -4.80 120.64 109.36 1o7b n GLU 86 Ca 0.16 -0.67 -0.34 0.00 -0.42 0.00 0.00 57.16 55.88 1o7b n GLU 86 Cb 0.71 -0.61 -0.06 0.00 -0.57 0.00 0.00 31.44 30.91 1o7b n GLU 86 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1o7b n ARG 87 N -2.70 2.98 0.00 3.49 1.74 -1.26 -3.83 116.66 117.08 1o7b n ARG 87 Ca 0.06 -4.57 0.00 0.00 -0.77 0.00 0.00 57.85 52.57 1o7b n ARG 87 Cb 0.22 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 1o7b n ARG 87 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1o7b n TRP 88 N 1.56 0.00 -0.81 -1.55 5.03 -0.99 -3.32 117.44 117.36 1o7b n TRP 88 Ca 0.25 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.78 1o7b n TRP 88 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.65 1o7b n TRP 88 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1o7b n ASP 89 N 0.00 0.00 -3.63 -0.99 9.92 0.16 -1.30 116.55 120.71 1o7b n ASP 89 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1o7b n ASP 89 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1o7b n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1o7b s ALA 90 N -2.32 -1.98 -1.21 2.24 0.00 -0.60 -2.58 121.76 115.32 1o7b s ALA 90 Ca 0.00 2.26 -0.11 0.00 0.00 0.00 0.00 51.96 54.11 1o7b s ALA 90 Cb 0.00 -1.75 0.20 0.00 0.00 0.00 0.00 23.12 21.56 1o7b s ALA 90 CO 0.00 -0.93 1.56 0.66 0.00 0.00 0.00 175.76 177.05 1o7b n TYR 91 N 5.44 4.04 -0.66 0.00 4.01 -1.22 0.15 117.16 128.93 1o7b n TYR 91 Ca -0.11 -3.15 -0.32 0.00 -0.16 0.00 0.00 57.90 54.16 1o7b n TYR 91 Cb 0.49 -1.95 0.18 0.00 -0.31 0.00 0.00 39.34 37.74 1o7b n TYR 91 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1o7b s TYR 93 N -2.34 -0.88 -0.29 0.00 6.14 0.08 0.70 117.35 120.76 1o7b s TYR 93 Ca 0.59 1.99 -0.19 0.00 0.64 0.00 0.00 57.07 60.10 1o7b s TYR 93 Cb -0.18 0.39 0.15 0.00 0.42 0.00 0.00 41.96 42.75 1o7b s TYR 93 CO 0.66 -0.43 1.08 -0.80 0.64 0.00 0.00 175.55 176.70 1o7b s ASN 94 N 0.81 -0.38 0.00 4.32 -0.87 -1.17 -1.82 114.94 115.82 1o7b s ASN 94 Ca -0.03 0.64 0.29 0.00 -1.57 0.00 0.00 52.86 52.19 1o7b s ASN 94 Cb -0.05 0.97 1.24 0.00 -0.02 0.00 0.00 41.25 43.39 1o7b s ASN 94 CO -0.06 -0.10 1.88 -0.81 -2.57 0.00 0.00 177.10 175.44 1o7b n PRO 95 N 3.00 0.42 -0.00 -0.60 -0.04 -1.26 -2.21 135.00 134.31 1o7b n PRO 95 Ca -0.16 -0.10 0.02 0.00 -0.04 0.00 0.00 63.50 63.22 1o7b n PRO 95 Cb 0.57 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.55 1o7b n PRO 95 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1o7b n HIS 96 N -1.20 0.01 -1.01 0.54 8.25 -1.26 -4.75 115.22 115.80 1o7b n HIS 96 Ca 0.12 -0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 57.43 1o7b n HIS 96 Cb 0.28 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.27 1o7b n HIS 96 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1o7b n ALA 97 N 0.17 6.06 1.92 -1.41 0.00 -1.19 -5.11 120.51 120.95 1o7b n ALA 97 Ca 0.02 -1.78 0.16 0.00 0.00 0.00 0.00 53.44 51.84 1o7b n ALA 97 Cb 0.09 -2.10 0.88 0.00 0.00 0.00 0.00 19.45 18.32 1o7b n ALA 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13