#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 4.66 0.30 1.61 0.11 -1.26 -3.16 120.40 122.67 1o7b s VAL 2 Ca 0.00 1.93 0.08 0.00 -2.93 0.00 0.00 61.98 61.06 1o7b s VAL 2 Cb 0.00 -4.24 -0.06 0.00 -1.53 0.00 0.00 36.38 30.55 1o7b s VAL 2 CO 0.00 0.05 -0.09 -0.72 -3.33 0.00 0.00 175.10 171.01 1o7b s TYR 3 N 1.72 2.13 0.08 1.54 1.13 0.34 -4.94 117.35 119.35 1o7b s TYR 3 Ca 0.51 -0.59 -0.10 0.00 -1.41 0.00 0.00 57.07 55.48 1o7b s TYR 3 Cb -0.21 -1.18 -0.06 0.00 -1.10 0.00 0.00 41.96 39.41 1o7b s TYR 3 CO 0.22 0.43 0.41 -3.38 -2.51 0.00 0.00 175.55 170.72 1o7b s HIS 4 N -2.82 3.59 0.15 -3.49 -3.43 -1.26 0.13 115.29 108.16 1o7b s HIS 4 Ca 0.30 0.82 -0.03 0.00 -0.80 0.00 0.00 55.06 55.35 1o7b s HIS 4 Cb 0.02 -2.18 -0.03 0.00 -1.43 0.00 0.00 32.58 28.96 1o7b s HIS 4 CO 0.14 0.52 0.12 1.03 -2.00 0.00 0.00 174.74 174.55 1o7b s ARG 5 N -1.85 1.03 0.39 -0.38 1.81 0.19 -4.84 118.95 115.29 1o7b s ARG 5 Ca 0.33 -1.42 0.04 0.00 -1.72 0.00 0.00 55.73 52.96 1o7b s ARG 5 Cb -0.14 0.28 0.04 0.00 -0.45 0.00 0.00 34.95 34.68 1o7b s ARG 5 CO 0.18 -0.32 0.34 0.39 -0.68 0.00 0.00 175.30 175.20 1o7b n GLU 6 N -0.15 0.89 0.00 3.54 4.71 -1.26 -1.75 120.64 126.61 1o7b n GLU 6 Ca -0.04 -2.35 0.00 0.00 -0.01 0.00 0.00 57.16 54.76 1o7b n GLU 6 Cb 0.64 0.18 0.00 0.00 -1.01 0.00 0.00 31.44 31.25 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 -2.27 0.00 0.15 0.62 0.00 0.32 -4.78 120.51 114.55 1o7b n ALA 7 Ca -0.12 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.51 1o7b n ALA 7 Cb 0.43 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.66 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 -1.94 -3.33 114.38 112.19 1o7b h ARG 8 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1o7b h ARG 8 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 1o7b h ARG 8 CO 0.00 0.00 0.01 0.45 -1.07 0.00 0.00 179.97 179.36 1o7b n SER 9 N -3.87 -1.16 0.00 7.04 2.88 -1.26 -5.16 113.62 112.09 1o7b n SER 9 Ca 0.04 -1.77 0.00 0.00 -1.33 0.00 0.00 58.87 55.81 1o7b n SER 9 Cb 0.45 0.84 0.00 0.00 -0.75 0.00 0.00 64.21 64.74 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 -0.55 0.95 3.80 0.46 0.00 -1.25 -5.16 105.19 103.44 1o7b n GLY 10 Ca -0.18 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 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 3.17 -0.77 1.61 2.20 -1.26 0.12 119.74 122.81 1o7b s LYS 11 Ca 0.00 -0.39 -0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1o7b s LYS 11 Cb 0.00 -2.94 -0.00 0.00 -1.51 0.00 0.00 37.83 33.38 1o7b s LYS 11 CO 0.00 0.68 0.69 0.66 -0.36 0.00 0.00 175.35 177.02 1o7b n TYR 12 N 1.42 -2.79 -0.57 4.03 4.02 -1.24 -4.91 117.16 117.13 1o7b n TYR 12 Ca -0.15 1.07 0.00 0.00 -0.01 0.00 0.00 57.90 58.81 1o7b n TYR 12 Cb 0.53 -3.86 0.00 0.00 -0.02 0.00 0.00 39.34 35.99 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 -2.00 0.00 -3.04 -0.72 2.85 -1.14 -4.74 118.16 109.37 1o7b n LYS 13 Ca -0.06 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.00 1o7b n LYS 13 Cb 0.54 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.93 1o7b n LYS 13 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1o7b s LEU 14 N 0.00 3.65 0.00 -5.58 0.05 -1.07 -4.78 118.68 110.94 1o7b s LEU 14 Ca 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 54.13 54.09 1o7b s LEU 14 Cb 0.00 -2.85 0.00 0.00 -2.05 0.00 0.00 46.19 41.29 1o7b s LEU 14 CO 0.00 -0.75 0.00 0.35 -0.55 0.00 0.00 176.35 175.40 1o7b n THR 15 N -1.97 0.00 -0.05 5.48 -2.24 -1.25 -1.32 114.28 112.93 1o7b n THR 15 Ca 0.04 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1o7b n THR 15 Cb 0.59 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.00 0.00 -0.29 4.78 3.20 -1.75 -1.81 116.97 121.10 1o7b h TYR 16 Ca 0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 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 0.13 0.19 0.00 -1.64 0.00 0.00 178.16 176.84 1o7b h ALA 17 N -0.88 1.83 0.37 1.82 0.00 -1.99 -1.24 119.26 119.17 1o7b h ALA 17 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1o7b h ALA 17 Cb 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1o7b h ALA 17 CO -0.00 0.14 -0.18 0.93 0.00 0.00 0.00 179.25 180.14 1o7b h GLU 18 N 0.36 -0.48 -0.93 0.00 5.08 -1.96 -2.58 114.58 114.07 1o7b h GLU 18 Ca 0.11 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.75 1o7b h GLU 18 Cb 0.01 0.11 -0.17 0.00 0.50 0.00 0.00 28.75 29.20 1o7b h GLU 18 CO -0.02 -0.32 0.04 0.00 -1.00 0.00 0.00 179.01 177.70 1o7b h ALA 19 N -1.51 1.09 -0.64 3.43 0.00 -1.12 0.52 119.26 121.03 1o7b h ALA 19 Ca -0.05 0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1o7b h ALA 19 Cb 0.38 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1o7b h ALA 19 CO 0.08 -0.53 0.41 -0.22 0.00 0.00 0.00 179.25 179.00 1o7b h LYS 20 N 0.05 0.81 -0.10 0.00 3.64 -1.26 -1.68 116.57 118.01 1o7b h LYS 20 Ca 0.55 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.88 1o7b h LYS 20 Cb 1.11 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1o7b h LYS 20 CO -0.85 0.53 0.03 0.00 -2.27 0.00 0.00 179.45 176.89 1o7b h ALA 21 N 1.25 0.13 -0.93 5.00 0.00 0.38 0.32 119.26 125.42 1o7b h ALA 21 Ca 0.25 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1o7b h ALA 21 Cb -0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1o7b h ALA 21 CO -0.07 -0.25 0.59 0.28 0.00 0.00 0.00 179.25 179.80 1o7b h VAL 22 N -0.03 0.81 0.45 0.00 2.07 -0.80 0.22 116.25 118.96 1o7b h VAL 22 Ca 0.03 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1o7b h VAL 22 Cb 0.23 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1o7b h VAL 22 CO -0.00 0.13 -0.22 0.00 0.02 0.00 0.00 177.57 177.51 1o7b n GLU 24 N -5.10 0.00 0.06 0.00 2.13 0.07 -0.31 120.64 117.50 1o7b n GLU 24 Ca -0.07 0.37 -0.10 0.00 0.66 0.00 0.00 57.16 58.02 1o7b n GLU 24 Cb 0.24 -1.53 -0.13 0.00 0.27 0.00 0.00 31.44 30.28 1o7b n GLU 24 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1o7b h PHE 25 N 0.00 0.15 -0.01 4.31 3.57 -0.47 -3.23 116.94 121.27 1o7b h PHE 25 Ca 0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1o7b h PHE 25 Cb 0.07 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1o7b h PHE 25 CO 0.00 1.10 -0.23 0.39 -2.23 0.00 0.00 178.31 177.34 1o7b n GLU 26 N -3.38 1.20 0.00 1.11 1.02 0.58 -4.91 120.64 116.26 1o7b n GLU 26 Ca -0.05 -0.80 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 1o7b n GLU 26 Cb 0.98 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 1o7b n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o7b n GLY 27 N 1.32 1.06 0.00 0.62 0.00 -1.06 -4.79 105.19 102.34 1o7b n GLY 27 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.86 5.37 3.49 -0.02 0.00 -0.75 -4.82 105.19 106.61 1o7b n GLY 28 Ca 0.00 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.67 0.97 -0.11 1.61 -3.43 -1.03 -1.13 115.29 111.50 1o7b s HIS 29 Ca 0.00 -1.22 -0.29 0.00 -0.80 0.00 0.00 55.06 52.74 1o7b s HIS 29 Cb 0.00 -0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 31.05 1o7b s HIS 29 CO 0.00 -1.10 1.60 -0.51 -2.00 0.00 0.00 174.74 172.73 1o7b s LEU 30 N -3.20 4.19 0.00 5.38 1.43 -1.26 -1.37 118.68 123.84 1o7b s LEU 30 Ca 0.30 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1o7b s LEU 30 Cb -0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.68 1o7b s LEU 30 CO 0.18 -0.99 0.00 0.00 0.23 0.00 0.00 176.35 175.77 1o7b n ALA 31 N 7.42 0.00 -2.35 4.21 0.00 -0.94 -4.41 120.51 124.45 1o7b n ALA 31 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.43 1o7b n ALA 31 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 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 0.59 0.08 0.00 -4.23 -1.26 -2.29 115.64 107.94 1o7b s THR 32 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 1o7b s THR 32 Cb 0.00 -2.62 -0.16 0.00 1.34 0.00 0.00 72.50 71.07 1o7b s THR 32 CO 0.00 0.00 1.66 0.22 -0.54 0.00 0.00 174.62 175.96 1o7b h TYR 33 N 2.28 -0.61 -0.49 3.99 3.20 -1.98 0.10 116.97 123.47 1o7b h TYR 33 Ca -0.37 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.58 1o7b h TYR 33 Cb 1.25 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.66 1o7b h TYR 33 CO 0.64 -0.36 0.07 -0.22 -1.64 0.00 0.00 178.16 176.65 1o7b h LYS 34 N -0.59 0.19 -0.57 1.82 3.64 -1.99 0.89 116.57 119.96 1o7b h LYS 34 Ca -0.04 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1o7b h LYS 34 Cb 0.49 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1o7b h LYS 34 CO 0.05 0.13 0.32 1.96 -2.27 0.00 0.00 179.45 179.63 1o7b h GLN 35 N 0.20 0.77 0.00 1.90 4.20 -1.91 -0.05 115.11 120.22 1o7b h GLN 35 Ca 0.25 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 1o7b h GLN 35 Cb 0.34 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1o7b h GLN 35 CO -0.35 0.56 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.04 1o7b h LEU 36 N 0.78 0.00 0.71 1.46 -0.00 0.15 -2.37 115.31 116.03 1o7b h LEU 36 Ca 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1o7b h LEU 36 Cb 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1o7b h LEU 36 CO -0.03 0.26 -0.34 -0.08 -0.00 0.00 0.00 178.44 178.25 1o7b h GLU 37 N 0.00 -0.92 -0.65 1.13 4.81 0.85 -1.83 114.58 117.98 1o7b h GLU 37 Ca -0.00 0.06 0.16 0.00 -0.13 0.00 0.00 59.36 59.45 1o7b h GLU 37 Cb 0.54 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 1o7b h GLU 37 CO 0.03 -0.58 0.45 0.00 -0.73 0.00 0.00 179.01 178.18 1o7b h ALA 38 N -1.04 2.36 -0.24 2.92 0.00 -1.38 0.70 119.26 122.58 1o7b h ALA 38 Ca -0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1o7b h ALA 38 Cb 0.75 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1o7b h ALA 38 CO 0.16 -0.55 -0.15 0.00 0.00 0.00 0.00 179.25 178.71 1o7b h ALA 39 N 1.68 1.28 0.13 0.00 0.00 -1.15 -2.47 119.26 118.74 1o7b h ALA 39 Ca 0.32 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 1o7b h ALA 39 Cb 1.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1o7b h ALA 39 CO -0.05 0.47 -1.27 -0.09 0.00 0.00 0.00 179.25 178.31 1o7b h ARG 40 N 0.39 0.28 -0.86 0.00 2.43 0.11 -0.70 114.38 116.02 1o7b h ARG 40 Ca 0.07 -0.48 0.25 0.00 -0.81 0.00 0.00 59.98 59.01 1o7b h ARG 40 Cb 0.50 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1o7b h ARG 40 CO 0.03 1.22 0.64 0.87 -1.51 0.00 0.00 179.97 181.22 1o7b h LYS 41 N 0.08 0.00 0.03 0.20 1.57 0.09 0.88 116.57 119.41 1o7b h LYS 41 Ca -0.15 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.31 1o7b h LYS 41 Cb 1.98 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.24 1o7b h LYS 41 CO 0.20 0.00 -1.92 0.44 -0.57 0.00 0.00 179.45 177.60 1o7b n ILE 42 N -4.20 1.60 0.00 1.86 -6.64 -1.14 -4.99 119.36 105.86 1o7b n ILE 42 Ca 0.18 -0.77 0.00 0.00 -1.77 0.00 0.00 62.75 60.39 1o7b n ILE 42 Cb 0.94 -1.11 0.00 0.00 -1.44 0.00 0.00 39.64 38.03 1o7b n ILE 42 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1o7b n GLY 43 N 1.72 0.50 3.53 3.28 0.00 0.30 -5.07 105.19 109.45 1o7b n GLY 43 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.23 2.86 -0.22 1.61 5.36 -0.28 -4.97 117.98 122.10 1o7b s PHE 44 Ca 0.00 -1.35 -0.18 0.00 -0.96 0.00 0.00 56.93 54.45 1o7b s PHE 44 Cb 0.00 -4.57 -0.03 0.00 -0.34 0.00 0.00 43.02 38.07 1o7b s PHE 44 CO 0.00 -1.73 0.49 -1.58 -1.46 0.00 0.00 175.22 170.94 1o7b s HIS 45 N 3.82 3.34 -0.30 10.12 5.65 -1.26 -4.66 115.29 131.99 1o7b s HIS 45 Ca 0.45 0.69 -0.14 0.00 0.25 0.00 0.00 55.06 56.31 1o7b s HIS 45 Cb -0.00 -2.65 0.18 0.00 -1.18 0.00 0.00 32.58 28.92 1o7b s HIS 45 CO -0.04 -0.14 1.04 0.54 -0.65 0.00 0.00 174.74 175.49 1o7b s VAL 46 N 1.78 -0.39 -2.00 0.89 0.11 -1.22 -4.99 120.40 114.58 1o7b s VAL 46 Ca 0.22 0.00 0.20 0.00 -2.93 0.00 0.00 61.98 59.47 1o7b s VAL 46 Cb -0.15 -1.00 0.58 0.00 -1.53 0.00 0.00 36.38 34.28 1o7b s VAL 46 CO 0.09 0.00 1.69 0.00 -3.33 0.00 0.00 175.10 173.55 1o7b s ALA 48 N -2.00 3.55 0.13 0.00 0.00 -1.26 -4.86 121.76 117.32 1o7b s ALA 48 Ca 0.31 -2.93 -0.34 0.00 0.00 0.00 0.00 51.96 49.00 1o7b s ALA 48 Cb 0.14 -4.02 -0.17 0.00 0.00 0.00 0.00 23.12 19.07 1o7b s ALA 48 CO 0.24 -2.88 1.02 0.00 0.00 0.00 0.00 175.76 174.13 1o7b n ALA 49 N 6.15 -1.98 -3.37 0.00 0.00 -1.25 -4.65 120.51 115.41 1o7b n ALA 49 Ca 0.25 0.50 -0.33 0.00 0.00 0.00 0.00 53.44 53.86 1o7b n ALA 49 Cb 0.48 -1.87 -0.15 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.19 1.49 0.65 0.00 0.00 -0.44 0.14 107.32 108.97 1o7b s GLY 50 Ca 0.77 -1.02 -0.17 0.00 0.00 0.00 0.00 44.72 44.29 1o7b s GLY 50 CO 0.54 -0.01 1.10 0.79 0.00 0.00 0.00 173.10 175.52 1o7b n TRP 51 N 3.96 1.23 -3.60 1.90 7.02 -1.06 -4.10 117.44 122.80 1o7b n TRP 51 Ca -0.19 0.42 -0.01 0.00 -1.02 0.00 0.00 57.50 56.71 1o7b n TRP 51 Cb 0.52 -2.18 -0.00 0.00 -2.42 0.00 0.00 31.31 27.23 1o7b n TRP 51 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1o7b n MET 52 N -1.62 0.03 -1.46 -0.99 0.00 -0.44 -3.38 117.12 109.25 1o7b n MET 52 Ca 0.15 -0.11 -0.38 0.00 0.00 0.00 0.00 57.70 57.36 1o7b n MET 52 Cb 0.48 0.10 0.05 0.00 0.00 0.00 0.00 33.22 33.85 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 -2.91 -0.91 0.00 3.17 0.00 -0.97 -0.87 120.51 118.02 1o7b n ALA 53 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1o7b n ALA 53 Cb 0.02 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 -0.42 0.00 -1.30 0.00 5.02 -1.26 -2.65 118.16 117.54 1o7b n LYS 54 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1o7b n LYS 54 Cb 0.48 -2.63 0.00 0.00 -0.02 0.00 0.00 35.03 32.86 1o7b n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1o7b n GLY 55 N -1.86 0.99 3.84 0.72 0.00 -0.05 -5.01 105.19 103.83 1o7b n GLY 55 Ca 0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.90 4.01 0.04 1.61 3.52 -1.09 -4.76 118.95 119.39 1o7b s ARG 56 Ca 0.00 0.59 0.07 0.00 -0.13 0.00 0.00 55.73 56.25 1o7b s ARG 56 Cb 0.00 -2.71 -0.02 0.00 -1.56 0.00 0.00 34.95 30.65 1o7b s ARG 56 CO 0.00 0.33 -0.19 0.14 -0.81 0.00 0.00 175.30 174.77 1o7b s VAL 57 N -1.70 1.54 -0.09 7.11 -7.23 -1.26 -1.33 120.40 117.43 1o7b s VAL 57 Ca 0.46 -1.15 -0.32 0.00 -1.81 0.00 0.00 61.98 59.16 1o7b s VAL 57 Cb -0.13 -1.35 0.12 0.00 0.56 0.00 0.00 36.38 35.58 1o7b s VAL 57 CO 0.19 0.17 1.17 -0.83 -0.31 0.00 0.00 175.10 175.49 1o7b s GLY 58 N -1.16 -0.34 -0.26 2.32 0.00 -1.26 -3.95 107.32 102.67 1o7b s GLY 58 Ca 0.06 1.17 -0.04 0.00 0.00 0.00 0.00 44.72 45.92 1o7b s GLY 58 CO 0.02 0.36 0.11 -2.52 0.00 0.00 0.00 173.10 171.06 1o7b s TYR 59 N -2.58 0.58 -0.79 1.90 1.13 -0.53 -1.33 117.35 115.74 1o7b s TYR 59 Ca 0.10 -0.92 -0.25 0.00 -1.41 0.00 0.00 57.07 54.59 1o7b s TYR 59 Cb 0.01 -1.01 -0.07 0.00 -1.10 0.00 0.00 41.96 39.79 1o7b s TYR 59 CO -0.05 -0.76 2.08 -2.14 -2.51 0.00 0.00 175.55 172.17 1o7b s PRO 60 N 2.01 2.30 -0.33 -3.49 0.02 -1.26 -1.76 135.00 132.49 1o7b s PRO 60 Ca 0.07 0.21 -0.22 0.00 0.02 0.00 0.00 61.00 61.08 1o7b s PRO 60 Cb -0.16 -4.83 0.00 0.00 0.02 0.00 0.00 34.50 29.53 1o7b s PRO 60 CO -0.28 -3.51 0.74 0.42 -0.33 0.00 0.00 177.00 174.04 1o7b s ILE 61 N 11.21 4.82 -0.09 2.83 -1.09 -1.09 -3.46 121.20 134.33 1o7b s ILE 61 Ca 0.77 0.97 0.11 0.00 -2.23 0.00 0.00 60.65 60.27 1o7b s ILE 61 Cb -0.10 -4.12 -0.24 0.00 -1.58 0.00 0.00 42.46 36.42 1o7b s ILE 61 CO 0.08 -0.28 0.49 0.52 -1.23 0.00 0.00 174.94 174.51 1o7b n VAL 62 N 5.58 1.58 -3.98 2.92 0.31 -1.26 -1.52 118.33 121.96 1o7b n VAL 62 Ca 0.02 -0.79 -0.31 0.00 -0.01 0.00 0.00 64.34 63.26 1o7b n VAL 62 Cb 0.48 -1.01 -0.14 0.00 -0.91 0.00 0.00 33.84 32.26 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 -2.57 1.74 0.77 5.55 2.20 -1.26 -4.90 119.74 121.26 1o7b s LYS 63 Ca -0.08 -2.25 -0.15 0.00 -0.36 0.00 0.00 55.97 53.12 1o7b s LYS 63 Cb 0.07 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 33.10 1o7b s LYS 63 CO 0.81 -1.03 0.53 -2.30 -0.36 0.00 0.00 175.35 173.01 1o7b n PRO 64 N 3.69 0.20 -3.31 4.03 -0.02 -1.26 -4.99 135.00 133.33 1o7b n PRO 64 Ca 0.04 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1o7b n PRO 64 Cb 0.37 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1o7b n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o7b n GLY 65 N 1.59 -1.45 3.76 -1.23 0.00 -1.25 -5.01 105.19 101.60 1o7b n GLY 65 Ca 0.09 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 1o7b n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1o7b s PRO 66 N -1.21 4.42 -1.90 1.61 0.04 -1.26 -2.66 135.00 134.04 1o7b s PRO 66 Ca 0.00 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1o7b s PRO 66 Cb 0.00 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1o7b s PRO 66 CO 0.00 -0.13 0.00 -1.71 0.04 0.00 0.00 177.00 175.20 1o7b n ASN 67 N 1.48 -4.86 -2.75 6.66 2.85 -1.26 -4.79 115.26 112.59 1o7b n ASN 67 Ca 0.02 0.41 -0.04 0.00 -0.11 0.00 0.00 54.58 54.86 1o7b n ASN 67 Cb 0.43 -4.32 0.06 0.00 1.24 0.00 0.00 39.78 37.19 1o7b n ASN 67 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1o7b n GLY 69 N -0.56 2.66 0.00 0.00 0.00 -1.25 -3.85 105.19 102.19 1o7b n GLY 69 Ca 0.03 -1.84 0.12 0.00 0.00 0.00 0.00 46.02 44.34 1o7b n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1o7b n PHE 70 N 0.80 0.00 0.00 1.61 3.72 -1.26 -4.35 117.46 117.98 1o7b n PHE 70 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1o7b n PHE 70 Cb 0.00 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 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 0.70 1.98 3.93 1.37 0.00 -1.26 -4.98 105.19 106.93 1o7b n GLY 71 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 3.37 -0.21 1.61 -0.14 -1.26 -4.90 119.74 118.21 1o7b s LYS 72 Ca 0.00 -0.69 -0.02 0.00 -1.36 0.00 0.00 55.97 53.90 1o7b s LYS 72 Cb 0.00 -2.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 1o7b s LYS 72 CO 0.00 0.49 -0.10 0.95 -0.76 0.00 0.00 175.35 175.93 1o7b s THR 73 N -1.83 2.90 0.00 2.17 -4.23 -1.26 -4.53 115.64 108.86 1o7b s THR 73 Ca 0.34 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1o7b s THR 73 Cb -0.10 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1o7b s THR 73 CO 0.28 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.43 1o7b n GLY 74 N 4.73 2.60 3.63 3.99 0.00 -0.57 -5.02 105.19 114.55 1o7b n GLY 74 Ca -0.19 -1.86 -0.46 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.82 0.55 -3.15 -0.61 5.41 -1.26 -2.65 119.36 115.82 1o7b n ILE 75 Ca 0.00 -0.20 -0.45 0.00 1.00 0.00 0.00 62.75 63.09 1o7b n ILE 75 Cb 0.00 -2.11 -0.02 0.00 -0.71 0.00 0.00 39.64 36.80 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 5.42 5.29 -0.03 1.39 1.01 -0.72 -4.87 121.20 128.69 1o7b s ILE 76 Ca 0.95 -2.29 0.04 0.00 0.00 0.00 0.00 60.65 59.36 1o7b s ILE 76 Cb -0.57 -4.64 -0.01 0.00 0.01 0.00 0.00 42.46 37.25 1o7b s ILE 76 CO 0.46 -1.28 -0.15 -0.62 0.00 0.00 0.00 174.94 173.34 1o7b s ASP 77 N 2.65 1.90 -0.26 3.58 2.15 -1.26 -1.46 116.67 123.97 1o7b s ASP 77 Ca 0.27 -0.30 0.13 0.00 0.43 0.00 0.00 52.55 53.08 1o7b s ASP 77 Cb -0.07 -0.38 0.69 0.00 -0.30 0.00 0.00 42.92 42.85 1o7b s ASP 77 CO -0.08 0.16 1.66 -1.22 -0.17 0.00 0.00 175.17 175.52 1o7b n TYR 78 N 2.96 1.84 -1.29 -5.34 4.01 -1.25 -5.04 117.16 113.05 1o7b n TYR 78 Ca -0.16 -1.03 0.16 0.00 -0.16 0.00 0.00 57.90 56.71 1o7b n TYR 78 Cb 0.54 -0.53 -0.07 0.00 -0.31 0.00 0.00 39.34 38.97 1o7b n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1o7b n GLY 79 N -0.14 -2.71 3.55 2.72 0.00 -1.26 -4.75 105.19 102.59 1o7b n GLY 79 Ca 0.32 -1.13 -0.48 0.00 0.00 0.00 0.00 46.02 44.73 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 -4.12 1.36 -1.08 -0.61 2.08 -1.26 -4.73 119.36 111.00 1o7b n ILE 80 Ca -0.04 -0.34 -0.08 0.00 0.56 0.00 0.00 62.75 62.85 1o7b n ILE 80 Cb 0.60 -0.73 0.29 0.00 -0.75 0.00 0.00 39.64 39.06 1o7b n ILE 80 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1o7b n ARG 81 N 1.31 3.54 -1.58 0.38 5.12 -1.26 -4.89 116.66 119.28 1o7b n ARG 81 Ca 0.14 -3.09 -0.17 0.00 -1.93 0.00 0.00 57.85 52.80 1o7b n ARG 81 Cb 0.26 -2.21 -0.06 0.00 -1.16 0.00 0.00 32.46 29.29 1o7b n ARG 81 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1o7b n LEU 82 N -0.29 -1.25 -3.15 0.55 -0.00 -1.26 -4.86 117.00 106.74 1o7b n LEU 82 Ca 0.43 0.38 0.03 0.00 -0.00 0.00 0.00 56.01 56.85 1o7b n LEU 82 Cb 1.41 -2.40 -0.00 0.00 -0.00 0.00 0.00 43.42 42.43 1o7b n LEU 82 CO 0.45 -0.80 0.15 0.21 -0.00 0.00 0.00 177.39 177.40 1o7b s ASN 83 N -2.37 -1.47 -0.01 1.96 2.47 -1.26 -5.01 114.94 109.25 1o7b s ASN 83 Ca 0.00 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.25 1o7b s ASN 83 Cb 0.00 1.91 0.01 0.00 -1.45 0.00 0.00 41.25 41.72 1o7b s ASN 83 CO 0.00 -0.25 1.22 -2.11 -3.72 0.00 0.00 177.10 172.25 1o7b n ARG 84 N 5.14 1.03 -0.10 0.43 0.00 -1.26 -3.42 116.66 118.48 1o7b n ARG 84 Ca 0.07 -0.07 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 1o7b n ARG 84 Cb 0.55 -1.03 0.11 0.00 -0.00 0.00 0.00 32.46 32.09 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 0.66 2.51 -4.58 2.89 7.64 -1.26 -2.48 113.62 119.00 1o7b n SER 85 Ca 0.01 -1.78 -0.29 0.00 1.01 0.00 0.00 58.87 57.82 1o7b n SER 85 Cb 0.52 -0.14 0.21 0.00 -1.01 0.00 0.00 64.21 63.80 1o7b n SER 85 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1o7b s GLU 86 N -0.96 -0.10 -0.44 1.43 0.41 -1.22 -4.83 118.70 112.98 1o7b s GLU 86 Ca 0.19 0.96 -0.10 0.00 -0.41 0.00 0.00 54.97 55.60 1o7b s GLU 86 Cb 0.11 -1.64 0.09 0.00 -1.78 0.00 0.00 34.13 30.90 1o7b s GLU 86 CO 0.15 -3.21 0.31 1.03 -0.49 0.00 0.00 175.26 173.05 1o7b s ARG 87 N -4.61 2.65 0.00 1.61 0.52 -1.24 -3.91 118.95 113.97 1o7b s ARG 87 Ca 0.67 -1.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 1o7b s ARG 87 Cb -0.23 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.36 1o7b s ARG 87 CO 0.61 -1.03 0.00 0.91 0.02 0.00 0.00 175.30 175.82 1o7b n TRP 88 N 4.97 0.00 -1.53 -0.53 7.02 -0.43 -4.21 117.44 122.72 1o7b n TRP 88 Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 1o7b n TRP 88 Cb 0.42 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.31 1o7b n TRP 88 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1o7b n ASP 89 N 0.00 0.00 -3.57 -0.99 9.92 0.12 -2.61 116.55 119.42 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 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 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 -2.37 -1.91 -1.28 2.24 0.00 -0.72 -2.55 121.76 115.17 1o7b s ALA 90 Ca 0.00 2.10 -0.12 0.00 0.00 0.00 0.00 51.96 53.95 1o7b s ALA 90 Cb 0.00 -1.76 0.15 0.00 0.00 0.00 0.00 23.12 21.51 1o7b s ALA 90 CO 0.00 -0.97 1.78 0.66 0.00 0.00 0.00 175.76 177.23 1o7b n TYR 91 N 5.44 3.70 -0.81 0.00 4.01 -1.22 0.55 117.16 128.83 1o7b n TYR 91 Ca -0.10 -2.98 -0.33 0.00 -0.16 0.00 0.00 57.90 54.34 1o7b n TYR 91 Cb 0.49 -2.13 0.12 0.00 -0.31 0.00 0.00 39.34 37.51 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 -2.37 -0.89 -0.30 0.00 6.14 -0.47 0.13 117.35 119.59 1o7b s TYR 93 Ca 0.56 1.66 -0.08 0.00 0.64 0.00 0.00 57.07 59.85 1o7b s TYR 93 Cb -0.21 0.39 0.18 0.00 0.42 0.00 0.00 41.96 42.74 1o7b s TYR 93 CO 0.68 -0.51 0.82 1.21 0.64 0.00 0.00 175.55 178.39 1o7b s ASN 94 N 2.63 -0.92 0.00 4.32 2.47 -1.19 -2.48 114.94 119.77 1o7b s ASN 94 Ca -0.03 0.68 0.04 0.00 0.42 0.00 0.00 52.86 53.97 1o7b s ASN 94 Cb -0.12 1.82 0.23 0.00 -1.45 0.00 0.00 41.25 41.72 1o7b s ASN 94 CO -0.14 -0.17 0.60 -0.81 -3.72 0.00 0.00 177.10 172.86 1o7b n PRO 95 N 5.40 0.33 0.00 0.43 -0.04 -1.26 -1.25 135.00 138.61 1o7b n PRO 95 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1o7b n PRO 95 Cb 0.52 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.68 0.00 -1.19 0.54 8.25 -1.26 -4.87 115.22 116.01 1o7b n HIS 96 Ca 0.03 -0.11 -0.20 0.00 -0.26 0.00 0.00 57.72 57.18 1o7b n HIS 96 Cb 0.01 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.11 6.55 -1.24 -1.41 0.00 -0.38 -5.06 120.51 118.85 1o7b n ALA 97 Ca 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.05 1o7b n ALA 97 Cb 0.34 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.38 1o7b n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67