#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7b h GLU 2 N 0.00 0.23 -0.00 2.12 4.81 -2.04 -3.31 114.58 116.38 1l7b h GLU 2 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1l7b h GLU 2 Cb 0.00 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1l7b h GLU 2 CO 0.00 1.08 -0.02 1.63 -0.73 0.00 0.00 179.01 180.97 1l7b n LYS 3 N -3.41 0.94 0.00 1.92 5.02 -1.26 -4.90 118.16 116.47 1l7b n LYS 3 Ca -0.27 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 1l7b n LYS 3 Cb 1.05 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1l7b n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1l7b n GLY 4 N 1.11 2.02 7.00 0.72 0.00 -1.25 -4.91 105.19 109.89 1l7b n GLY 4 Ca 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1l7b n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l7b n GLY 5 N 0.00 1.68 1.99 -0.02 0.00 -1.26 -3.31 105.19 104.27 1l7b n GLY 5 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.88 1l7b n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1l7b n GLU 6 N 0.00 0.65 0.00 1.61 2.13 -1.26 -4.92 120.64 118.85 1l7b n GLU 6 Ca 0.00 -2.48 0.00 0.00 0.66 0.00 0.00 57.16 55.34 1l7b n GLU 6 Cb 0.00 -0.55 0.00 0.00 0.27 0.00 0.00 31.44 31.16 1l7b n GLU 6 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1l7b n ALA 7 N 0.04 0.00 -0.00 4.31 0.00 -1.21 -3.98 120.51 119.66 1l7b n ALA 7 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1l7b n ALA 7 Cb 1.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.43 1l7b n ALA 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1l7b n LEU 8 N 0.00 0.00 -4.01 0.00 -0.00 -1.26 -4.92 117.00 106.80 1l7b n LEU 8 Ca 0.00 -0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 1l7b n LEU 8 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.52 1l7b n LEU 8 CO 0.00 0.00 -0.59 1.17 -0.00 0.00 0.00 177.39 177.97 1l7b n LYS 9 N -1.60 -1.20 0.00 1.96 4.81 -1.24 -3.23 118.16 117.64 1l7b n LYS 9 Ca -0.01 -0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.08 1l7b n LYS 9 Cb 0.08 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1l7b n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1l7b n GLY 10 N 2.71 2.76 3.90 3.14 0.00 -1.26 -4.76 105.19 111.68 1l7b n GLY 10 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1l7b n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l7b s LEU 11 N 0.00 2.86 -0.07 0.99 1.02 -1.20 -5.03 118.68 117.25 1l7b s LEU 11 Ca 0.00 -1.13 -0.06 0.00 0.02 0.00 0.00 54.13 52.96 1l7b s LEU 11 Cb 0.00 -1.37 0.02 0.00 0.02 0.00 0.00 46.19 44.86 1l7b s LEU 11 CO 0.00 -1.04 0.19 -0.89 0.02 0.00 0.00 176.35 174.63 1l7b s THR 12 N -2.71 -0.00 -0.12 5.49 2.01 -1.26 -2.41 115.64 116.63 1l7b s THR 12 Ca 0.39 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1l7b s THR 12 Cb -0.02 -0.27 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1l7b s THR 12 CO 0.24 0.00 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.63 1l7b s PHE 13 N 0.13 2.23 0.17 4.92 0.08 -0.72 -4.70 117.98 120.09 1l7b s PHE 13 Ca -0.00 -1.07 0.10 0.00 0.12 0.00 0.00 56.93 56.07 1l7b s PHE 13 Cb -0.02 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1l7b s PHE 13 CO 0.00 -0.52 -0.17 0.08 -0.10 0.00 0.00 175.22 174.51 1l7b s VAL 14 N 0.89 2.78 -0.19 -0.44 1.01 0.10 -2.36 120.40 122.20 1l7b s VAL 14 Ca -0.07 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.13 1l7b s VAL 14 Cb -0.15 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1l7b s VAL 14 CO -0.01 -0.06 -0.10 -0.63 0.00 0.00 0.00 175.10 174.31 1l7b s ILE 15 N -1.54 3.03 -1.17 2.22 -1.09 -0.80 -2.64 121.20 119.22 1l7b s ILE 15 Ca 0.21 -0.62 -0.23 0.00 -2.23 0.00 0.00 60.65 57.78 1l7b s ILE 15 Cb -0.09 -2.34 -0.10 0.00 -1.58 0.00 0.00 42.46 38.35 1l7b s ILE 15 CO 0.12 0.47 1.95 -0.89 -1.23 0.00 0.00 174.94 175.36 1l7b s THR 16 N 1.17 3.49 0.00 2.92 2.01 -1.26 -4.38 115.64 119.59 1l7b s THR 16 Ca 0.02 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1l7b s THR 16 Cb -0.14 -4.50 0.00 0.00 0.01 0.00 0.00 72.50 67.87 1l7b s THR 16 CO -0.03 -0.89 0.00 0.61 -0.69 0.00 0.00 174.62 173.62 1l7b n GLY 17 N 5.86 -0.07 2.95 4.40 0.00 -1.25 -3.99 105.19 113.09 1l7b n GLY 17 Ca 0.44 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.45 1l7b n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1l7b s GLU 18 N 0.00 0.42 0.00 1.61 -1.05 -1.26 -4.99 118.70 113.43 1l7b s GLU 18 Ca 0.00 0.35 0.07 0.00 -0.15 0.00 0.00 54.97 55.24 1l7b s GLU 18 Cb 0.00 -0.24 0.40 0.00 -0.44 0.00 0.00 34.13 33.85 1l7b s GLU 18 CO 0.00 -0.89 0.99 1.28 0.95 0.00 0.00 175.26 177.59 1l7b n LEU 19 N 5.37 0.00 0.00 1.83 4.77 -1.26 -3.79 117.00 123.92 1l7b n LEU 19 Ca -0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1l7b n LEU 19 Cb 0.50 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1l7b n LEU 19 CO 0.00 -0.11 0.00 -0.24 -1.33 0.00 0.00 177.39 175.72 1l7b n SER 20 N -1.14 -1.75 -3.74 -1.43 2.88 -1.26 -3.80 113.62 103.37 1l7b n SER 20 Ca 0.04 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.38 1l7b n SER 20 Cb 0.04 -0.31 -0.08 0.00 -0.75 0.00 0.00 64.21 63.10 1l7b n SER 20 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1l7b s ARG 21 N -1.43 1.72 0.00 -1.46 0.52 -1.26 -4.88 118.95 112.16 1l7b s ARG 21 Ca 0.00 -2.01 0.00 0.00 -0.52 0.00 0.00 55.73 53.20 1l7b s ARG 21 Cb 0.00 0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1l7b s ARG 21 CO 0.00 -0.55 0.74 -0.35 0.02 0.00 0.00 175.30 175.16 1l7b n PRO 22 N -0.66 0.46 0.18 3.54 -0.04 -1.26 -4.47 135.00 132.76 1l7b n PRO 22 Ca 0.02 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.52 1l7b n PRO 22 Cb 0.64 -1.27 0.19 0.00 -0.04 0.00 0.00 33.50 33.02 1l7b n PRO 22 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1l7b h ARG 23 N 2.00 0.00 0.00 0.54 -0.00 -1.98 -0.55 114.38 114.40 1l7b h ARG 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1l7b h ARG 23 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.43 1l7b h ARG 23 CO 0.00 0.00 -0.06 1.49 -0.00 0.00 0.00 179.97 181.40 1l7b h GLU 24 N 0.00 0.00 -0.52 0.08 4.81 -1.98 -2.17 114.58 114.80 1l7b h GLU 24 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1l7b h GLU 24 Cb 1.10 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.39 1l7b h GLU 24 CO 0.00 0.00 -0.08 1.49 -0.73 0.00 0.00 179.01 179.69 1l7b h GLU 25 N -0.85 0.04 -0.18 1.92 4.81 -1.51 0.35 114.58 119.16 1l7b h GLU 25 Ca 0.00 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1l7b h GLU 25 Cb 0.06 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1l7b h GLU 25 CO 0.00 0.03 -0.04 -0.24 -0.73 0.00 0.00 179.01 178.02 1l7b h VAL 26 N 0.04 1.15 -0.91 0.32 3.04 -1.52 -1.82 116.25 116.55 1l7b h VAL 26 Ca 0.26 -0.59 0.11 0.00 -1.01 0.00 0.00 66.70 65.46 1l7b h VAL 26 Cb 0.40 1.06 -0.07 0.00 -2.01 0.00 0.00 31.29 30.67 1l7b h VAL 26 CO -0.49 0.19 0.59 0.50 -1.01 0.00 0.00 177.57 177.34 1l7b h LYS 27 N 0.26 0.84 -0.40 4.17 1.63 0.38 1.03 116.57 124.49 1l7b h LYS 27 Ca 0.06 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.71 1l7b h LYS 27 Cb 0.26 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1l7b h LYS 27 CO 0.01 0.56 -0.14 0.00 -3.45 0.00 0.00 179.45 176.43 1l7b h ALA 28 N 1.56 1.01 0.00 5.00 0.00 -0.97 -0.57 119.26 125.28 1l7b h ALA 28 Ca 0.44 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1l7b h ALA 28 Cb 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1l7b h ALA 28 CO -0.20 0.59 -0.39 -0.07 0.00 0.00 0.00 179.25 179.18 1l7b h LEU 29 N 0.66 0.00 -0.03 0.00 4.07 -0.23 -2.93 115.31 116.86 1l7b h LEU 29 Ca 0.11 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 1l7b h LEU 29 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1l7b h LEU 29 CO 0.04 0.39 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.58 1l7b h LEU 30 N 0.00 0.17 -0.69 1.67 4.07 0.18 -2.65 115.31 118.06 1l7b h LEU 30 Ca -0.00 -0.67 0.06 0.00 0.08 0.00 0.00 57.88 57.35 1l7b h LEU 30 Cb 1.02 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.65 1l7b h LEU 30 CO 0.05 0.81 0.38 -0.09 -1.08 0.00 0.00 178.44 178.51 1l7b h ARG 31 N -0.46 0.67 -0.00 1.13 2.43 -1.15 0.26 114.38 117.25 1l7b h ARG 31 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1l7b h ARG 31 Cb 0.81 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1l7b h ARG 31 CO 0.03 0.45 0.00 -0.09 -1.51 0.00 0.00 179.97 178.85 1l7b h ARG 32 N 0.69 0.00 0.00 0.20 9.65 -1.53 -0.49 114.38 122.90 1l7b h ARG 32 Ca 0.31 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 1l7b h ARG 32 Cb 0.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1l7b h ARG 32 CO -0.19 0.00 0.00 -0.11 2.80 0.00 0.00 179.97 182.47 1l7b n LEU 33 N -4.52 0.00 0.00 3.80 7.94 0.90 -4.83 117.00 120.28 1l7b n LEU 33 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 1l7b n LEU 33 Cb 0.09 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.04 1l7b n LEU 33 CO 0.34 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.23 1l7b n GLY 34 N -0.01 1.38 3.63 -3.96 0.00 -0.19 -3.73 105.19 102.31 1l7b n GLY 34 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1l7b n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l7b n ALA 35 N 0.00 0.36 -1.48 4.61 0.00 -1.26 -4.77 120.51 117.97 1l7b n ALA 35 Ca 0.00 0.35 -0.34 0.00 0.00 0.00 0.00 53.44 53.45 1l7b n ALA 35 Cb 0.00 -2.11 0.06 0.00 0.00 0.00 0.00 19.45 17.40 1l7b n ALA 35 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1l7b s LYS 36 N -1.76 2.63 0.13 0.00 1.02 -1.01 -4.36 119.74 116.39 1l7b s LYS 36 Ca 0.58 1.53 0.09 0.00 0.02 0.00 0.00 55.97 58.20 1l7b s LYS 36 Cb -0.63 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 1l7b s LYS 36 CO 0.60 -1.41 -0.23 0.14 -0.92 0.00 0.00 175.35 173.54 1l7b s VAL 37 N -2.17 1.96 0.00 3.17 -7.23 -1.26 -1.75 120.40 113.12 1l7b s VAL 37 Ca 0.70 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1l7b s VAL 37 Cb -0.24 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 34.91 1l7b s VAL 37 CO 0.41 -0.06 0.00 0.35 -0.31 0.00 0.00 175.10 175.50 1l7b n THR 38 N 0.83 0.00 -1.34 5.32 -2.24 -0.99 -4.97 114.28 110.89 1l7b n THR 38 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1l7b n THR 38 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1l7b n THR 38 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1l7b n ASP 39 N -0.70 0.00 -2.69 3.42 5.75 -1.26 -1.90 116.55 119.16 1l7b n ASP 39 Ca 0.00 -1.00 -0.15 0.00 -0.01 0.00 0.00 54.79 53.63 1l7b n ASP 39 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1l7b n ASP 39 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1l7b n SER 40 N 0.00 -0.19 -3.96 -1.12 7.64 -1.26 -3.76 113.62 110.97 1l7b n SER 40 Ca 0.00 -2.55 -0.09 0.00 1.01 0.00 0.00 58.87 57.24 1l7b n SER 40 Cb 0.26 1.10 -0.10 0.00 -1.01 0.00 0.00 64.21 64.46 1l7b n SER 40 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1l7b s VAL 41 N -2.90 0.14 0.15 0.44 -7.23 -1.26 -4.85 120.40 104.89 1l7b s VAL 41 Ca 0.26 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 1l7b s VAL 41 Cb 0.01 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 36.10 1l7b s VAL 41 CO 0.18 -0.64 0.00 -0.24 -0.31 0.00 0.00 175.10 174.09 1l7b n SER 42 N 0.85 -0.06 -0.21 4.85 2.88 -1.26 -5.03 113.62 115.65 1l7b n SER 42 Ca -0.19 0.25 -0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1l7b n SER 42 Cb 0.58 0.20 -0.00 0.00 -0.75 0.00 0.00 64.21 64.23 1l7b n SER 42 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1l7b n ARG 43 N -3.02 0.00 -0.49 -1.46 0.63 -1.26 -4.98 116.66 106.08 1l7b n ARG 43 Ca 0.00 -0.04 -0.02 0.00 -0.92 0.00 0.00 57.85 56.87 1l7b n ARG 43 Cb 0.01 0.10 -0.02 0.00 0.45 0.00 0.00 32.46 33.01 1l7b n ARG 43 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1l7b n LYS 44 N 0.00 0.00 -2.00 -0.14 4.81 -1.26 -4.97 118.16 114.59 1l7b n LYS 44 Ca -0.01 -0.24 -0.02 0.00 -0.87 0.00 0.00 58.31 57.17 1l7b n LYS 44 Cb 0.15 0.23 0.03 0.00 0.02 0.00 0.00 35.03 35.46 1l7b n LYS 44 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1l7b n THR 45 N 0.00 0.28 -2.73 3.15 -1.04 -1.26 -5.03 114.28 107.65 1l7b n THR 45 Ca -0.07 -1.14 -0.43 0.00 -2.04 0.00 0.00 64.05 60.37 1l7b n THR 45 Cb 0.37 0.93 0.00 0.00 -1.82 0.00 0.00 70.33 69.81 1l7b n THR 45 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1l7b n SER 46 N -0.50 5.07 -3.68 8.00 2.88 -1.26 -4.68 113.62 119.45 1l7b n SER 46 Ca -0.10 -2.96 -0.10 0.00 -1.33 0.00 0.00 58.87 54.38 1l7b n SER 46 Cb 0.87 -1.63 -0.10 0.00 -0.75 0.00 0.00 64.21 62.59 1l7b n SER 46 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1l7b s TYR 47 N 2.48 -0.67 0.03 0.66 2.02 -1.26 -4.09 117.35 116.53 1l7b s TYR 47 Ca 0.47 1.36 0.08 0.00 -0.37 0.00 0.00 57.07 58.61 1l7b s TYR 47 Cb 0.01 0.26 -0.02 0.00 -0.40 0.00 0.00 41.96 41.81 1l7b s TYR 47 CO 0.03 -0.40 -0.24 -1.17 -1.57 0.00 0.00 175.55 172.20 1l7b s LEU 48 N 1.94 2.13 -0.32 -1.29 0.20 -1.26 0.00 118.68 120.08 1l7b s LEU 48 Ca -0.06 -0.52 -0.20 0.00 0.69 0.00 0.00 54.13 54.05 1l7b s LEU 48 Cb -0.10 -1.15 -0.01 0.00 -0.43 0.00 0.00 46.19 44.50 1l7b s LEU 48 CO -0.13 0.23 0.59 0.68 -0.29 0.00 0.00 176.35 177.44 1l7b s VAL 49 N -0.73 4.96 1.05 1.68 -7.23 -1.08 -1.64 120.40 117.41 1l7b s VAL 49 Ca 0.09 0.68 -0.18 0.00 -1.81 0.00 0.00 61.98 60.77 1l7b s VAL 49 Cb -0.09 -3.99 0.04 0.00 0.56 0.00 0.00 36.38 32.90 1l7b s VAL 49 CO 0.01 -0.17 -0.07 0.52 -0.31 0.00 0.00 175.10 175.08 1l7b n VAL 50 N 5.42 0.00 0.00 1.32 0.31 -1.09 -4.72 118.33 119.56 1l7b n VAL 50 Ca -0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1l7b n VAL 50 Cb 0.49 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1l7b n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1l7b n GLY 51 N 2.10 -0.44 0.00 2.92 0.00 -1.26 -4.32 105.19 104.19 1l7b n GLY 51 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1l7b n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1l7b n GLU 52 N -0.70 1.42 0.04 1.61 2.13 -1.26 -5.06 120.64 118.83 1l7b n GLU 52 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1l7b n GLU 52 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1l7b n GLU 52 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1l7b n ASN 53 N 0.00 0.57 -0.35 4.31 3.02 -1.26 -4.74 115.26 116.82 1l7b n ASN 53 Ca 0.00 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1l7b n ASN 53 Cb 0.00 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1l7b n ASN 53 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1l7b n PRO 54 N -3.10 0.85 -0.87 3.52 -0.04 -1.26 -4.83 135.00 129.27 1l7b n PRO 54 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1l7b n PRO 54 Cb 0.00 -1.29 0.16 0.00 -0.04 0.00 0.00 33.50 32.33 1l7b n PRO 54 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1l7b s GLY 55 N -0.46 1.65 0.00 0.55 0.00 -1.26 -4.86 107.32 102.94 1l7b s GLY 55 Ca 0.00 0.28 0.17 0.00 0.00 0.00 0.00 44.72 45.17 1l7b s GLY 55 CO 0.00 0.75 1.52 -1.26 0.00 0.00 0.00 173.10 174.11 1l7b n SER 56 N -4.17 0.00 0.33 1.64 2.88 -1.25 -2.89 113.62 110.17 1l7b n SER 56 Ca 0.09 0.11 0.21 0.00 -1.33 0.00 0.00 58.87 57.94 1l7b n SER 56 Cb 0.53 -0.32 1.10 0.00 -0.75 0.00 0.00 64.21 64.78 1l7b n SER 56 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1l7b h LYS 57 N 0.00 0.00 -0.65 -1.46 2.10 -1.82 -2.43 116.57 112.31 1l7b h LYS 57 Ca 0.00 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.84 1l7b h LYS 57 Cb 0.18 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.49 1l7b h LYS 57 CO 0.00 0.00 0.84 1.25 -2.00 0.00 0.00 179.45 179.54 1l7b h LEU 58 N 0.00 0.00 0.09 7.07 6.46 -1.85 1.57 115.31 128.65 1l7b h LEU 58 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1l7b h LEU 58 Cb 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1l7b h LEU 58 CO 0.00 0.00 -0.04 -0.08 -0.62 0.00 0.00 178.44 177.70 1l7b h GLU 59 N 0.00 -0.11 0.05 1.25 4.57 -1.75 -2.69 114.58 115.90 1l7b h GLU 59 Ca 0.31 0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 58.24 1l7b h GLU 59 Cb 1.98 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 30.61 1l7b h GLU 59 CO -0.00 -0.07 -1.08 -0.22 -1.18 0.00 0.00 179.01 176.46 1l7b h LYS 60 N -0.68 0.50 -0.69 1.92 3.64 -1.53 -2.70 116.57 117.03 1l7b h LYS 60 Ca -0.01 -0.60 -0.03 0.00 -1.27 0.00 0.00 60.65 58.74 1l7b h LYS 60 Cb 0.09 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1l7b h LYS 60 CO 0.02 1.23 0.30 0.00 -2.27 0.00 0.00 179.45 178.72 1l7b h ALA 61 N 0.55 0.89 -0.40 5.00 0.00 0.20 -1.56 119.26 123.94 1l7b h ALA 61 Ca -0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1l7b h ALA 61 Cb 1.73 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1l7b h ALA 61 CO 0.19 0.49 -0.05 -0.09 0.00 0.00 0.00 179.25 179.80 1l7b h ARG 62 N 0.97 0.67 -3.76 0.00 9.65 -1.51 -3.46 114.38 116.94 1l7b h ARG 62 Ca 0.23 -0.19 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 1l7b h ARG 62 Cb 0.18 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1l7b h ARG 62 CO -0.02 0.72 -0.99 0.00 2.80 0.00 0.00 179.97 182.48 1l7b n ALA 63 N -2.48 -2.05 -1.09 2.80 0.00 -0.59 -4.85 120.51 112.24 1l7b n ALA 63 Ca 0.02 0.51 0.05 0.00 0.00 0.00 0.00 53.44 54.02 1l7b n ALA 63 Cb 0.31 -1.48 0.08 0.00 0.00 0.00 0.00 19.45 18.35 1l7b n ALA 63 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1l7b n LEU 64 N -2.71 1.61 0.00 0.00 -0.00 -1.26 -4.83 117.00 109.82 1l7b n LEU 64 Ca -0.00 -2.24 0.00 0.00 -0.00 0.00 0.00 56.01 53.77 1l7b n LEU 64 Cb 0.50 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 1l7b n LEU 64 CO 0.00 0.52 0.00 0.61 -0.00 0.00 0.00 177.39 178.53 1l7b n GLY 65 N -0.87 0.50 3.90 1.47 0.00 -1.26 -5.14 105.19 103.79 1l7b n GLY 65 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1l7b n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1l7b s VAL 66 N 0.00 4.53 0.11 1.61 -7.23 -1.26 -5.07 120.40 113.08 1l7b s VAL 66 Ca 0.00 0.35 -0.12 0.00 -1.81 0.00 0.00 61.98 60.40 1l7b s VAL 66 Cb 0.00 -3.76 -0.06 0.00 0.56 0.00 0.00 36.38 33.11 1l7b s VAL 66 CO 0.00 -0.84 0.47 -2.16 -0.31 0.00 0.00 175.10 172.26 1l7b s PRO 67 N -4.94 3.87 -0.06 4.82 0.04 -1.26 -4.78 135.00 132.70 1l7b s PRO 67 Ca 0.51 0.33 0.03 0.00 0.04 0.00 0.00 61.00 61.92 1l7b s PRO 67 Cb -0.11 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1l7b s PRO 67 CO 0.48 0.53 -0.15 0.95 0.04 0.00 0.00 177.00 178.84 1l7b s THR 68 N -1.41 1.32 -0.15 1.26 -4.23 -1.26 -3.98 115.64 107.19 1l7b s THR 68 Ca 0.35 -0.62 -0.03 0.00 -1.18 0.00 0.00 61.69 60.21 1l7b s THR 68 Cb -0.15 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.50 1l7b s THR 68 CO 0.18 0.39 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.84 1l7b s LEU 69 N 0.35 3.16 0.36 4.79 1.02 -0.65 -4.87 118.68 122.84 1l7b s LEU 69 Ca -0.10 -0.16 -0.27 0.00 0.02 0.00 0.00 54.13 53.62 1l7b s LEU 69 Cb -0.14 -1.75 -0.09 0.00 0.02 0.00 0.00 46.19 44.23 1l7b s LEU 69 CO 0.03 0.17 1.23 -0.89 0.02 0.00 0.00 176.35 176.92 1l7b s THR 70 N 0.35 2.95 0.21 5.49 2.01 -1.26 -2.68 115.64 122.70 1l7b s THR 70 Ca -0.05 0.89 0.36 0.00 0.31 0.00 0.00 61.69 63.19 1l7b s THR 70 Cb -0.14 -3.54 0.40 0.00 0.01 0.00 0.00 72.50 69.23 1l7b s THR 70 CO 0.03 0.16 2.05 -0.08 -0.69 0.00 0.00 174.62 176.10 1l7b h GLU 71 N 3.07 0.00 -0.54 4.92 4.81 -1.85 -3.16 114.58 121.82 1l7b h GLU 71 Ca -0.49 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 58.85 1l7b h GLU 71 Cb 1.23 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.50 1l7b h GLU 71 CO 0.64 0.01 -0.24 0.93 -0.73 0.00 0.00 179.01 179.62 1l7b h GLU 72 N 0.00 -0.10 -0.78 1.92 4.39 -1.91 0.18 114.58 118.26 1l7b h GLU 72 Ca -0.00 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.79 1l7b h GLU 72 Cb 0.42 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.03 1l7b h GLU 72 CO 0.00 -0.07 0.44 1.49 -1.16 0.00 0.00 179.01 179.72 1l7b h GLU 73 N -0.11 0.74 -0.63 2.33 4.81 -1.95 -1.18 114.58 118.58 1l7b h GLU 73 Ca 0.25 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1l7b h GLU 73 Cb 0.50 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1l7b h GLU 73 CO -0.61 0.49 0.36 1.25 -0.73 0.00 0.00 179.01 179.77 1l7b h LEU 74 N 0.77 0.55 -1.91 1.64 6.46 -0.87 -0.25 115.31 121.70 1l7b h LEU 74 Ca 0.37 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.15 1l7b h LEU 74 Cb 0.31 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1l7b h LEU 74 CO -0.23 0.36 -0.01 1.88 -0.62 0.00 0.00 178.44 179.82 1l7b h TYR 75 N 0.68 0.04 0.00 1.25 0.05 0.00 0.11 116.97 119.10 1l7b h TYR 75 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1l7b h TYR 75 Cb 0.13 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1l7b h TYR 75 CO -0.07 0.06 0.00 0.54 -1.05 0.00 0.00 178.16 177.63 1l7b n ARG 76 N -4.50 0.00 -0.26 4.88 1.74 -0.13 -0.33 116.66 118.07 1l7b n ARG 76 Ca -0.02 0.28 0.21 0.00 -0.77 0.00 0.00 57.85 57.55 1l7b n ARG 76 Cb 0.12 -1.15 0.54 0.00 -1.02 0.00 0.00 32.46 30.95 1l7b n ARG 76 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1l7b h LEU 77 N 0.00 0.36 0.20 0.55 -0.00 -1.49 -1.16 115.31 113.76 1l7b h LEU 77 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1l7b h LEU 77 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1l7b h LEU 77 CO 0.00 0.12 -0.09 0.25 -0.00 0.00 0.00 178.44 178.72 1l7b h LEU 78 N 0.35 -0.22 -1.78 1.67 6.46 -0.96 0.72 115.31 121.54 1l7b h LEU 78 Ca 0.49 0.01 0.27 0.00 -0.12 0.00 0.00 57.88 58.53 1l7b h LEU 78 Cb 1.34 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.29 1l7b h LEU 78 CO -0.18 -0.11 0.83 -0.33 -0.62 0.00 0.00 178.44 178.03 1l7b h GLU 79 N -0.36 0.00 0.00 1.25 5.08 -0.30 0.17 114.58 120.42 1l7b h GLU 79 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1l7b h GLU 79 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1l7b h GLU 79 CO 0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 177.95 1l7b h ALA 80 N 1.22 0.00 -0.81 3.43 0.00 -1.08 -1.13 119.26 120.89 1l7b h ALA 80 Ca 0.44 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.34 1l7b h ALA 80 Cb 2.10 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 19.85 1l7b h ALA 80 CO -0.00 0.11 -0.29 0.00 0.00 0.00 0.00 179.25 179.06 1l7b h ARG 81 N -0.50 -0.05 0.04 0.00 2.47 0.12 0.76 114.38 117.22 1l7b h ARG 81 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1l7b h ARG 81 Cb 0.11 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1l7b h ARG 81 CO 0.00 -0.03 -0.02 1.15 0.56 0.00 0.00 179.97 181.63 1l7b h THR 82 N -0.05 1.22 0.00 2.04 2.02 -0.86 -3.47 112.91 113.81 1l7b h THR 82 Ca 0.34 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1l7b h THR 82 Cb 0.59 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1l7b h THR 82 CO -0.84 0.21 0.00 0.61 0.37 0.00 0.00 175.52 175.87 1l7b n GLY 83 N -0.11 0.50 3.08 2.16 0.00 0.26 -5.04 105.19 106.04 1l7b n GLY 83 Ca -0.08 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 1l7b n GLY 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1l7b s LYS 84 N -1.54 0.35 -0.15 1.61 2.20 -1.24 -5.02 119.74 115.95 1l7b s LYS 84 Ca 0.00 -0.09 -0.29 0.00 -0.36 0.00 0.00 55.97 55.23 1l7b s LYS 84 Cb 0.00 0.15 -0.06 0.00 -1.51 0.00 0.00 37.83 36.42 1l7b s LYS 84 CO 0.00 -0.07 2.00 0.15 -0.36 0.00 0.00 175.35 177.06 1l7b s LYS 85 N -0.68 3.59 0.59 4.03 1.02 -1.26 -4.78 119.74 122.25 1l7b s LYS 85 Ca -0.08 2.10 0.29 0.00 0.02 0.00 0.00 55.97 58.30 1l7b s LYS 85 Cb -0.05 -4.23 1.53 0.00 -0.52 0.00 0.00 37.83 34.56 1l7b s LYS 85 CO 0.01 -1.57 1.95 0.00 -0.92 0.00 0.00 175.35 174.81 1l7b h ALA 86 N 12.69 2.03 0.00 5.17 0.00 -1.97 0.55 119.26 137.74 1l7b h ALA 86 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1l7b h ALA 86 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1l7b h ALA 86 CO 0.97 -0.59 0.00 0.93 0.00 0.00 0.00 179.25 180.56 1l7b h GLU 87 N 0.00 0.00 -1.30 0.00 4.39 -1.87 -3.08 114.58 112.72 1l7b h GLU 87 Ca 0.17 0.00 0.38 0.00 0.34 0.00 0.00 59.36 60.25 1l7b h GLU 87 Cb 0.97 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.57 1l7b h GLU 87 CO -0.00 0.00 1.17 0.93 -1.16 0.00 0.00 179.01 179.95 1l7b h GLU 88 N 0.00 0.00 0.00 2.33 4.39 -0.25 -2.01 114.58 119.04 1l7b h GLU 88 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1l7b h GLU 88 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1l7b h GLU 88 CO 0.00 0.00 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.74 1l7b h LEU 89 N 0.00 0.00 -9.66 1.33 3.38 -1.76 -3.47 115.31 105.13 1l7b h LEU 89 Ca 0.62 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 58.06 1l7b h LEU 89 Cb 2.96 0.00 0.02 0.00 0.09 0.00 0.00 40.66 43.73 1l7b h LEU 89 CO -0.01 0.07 0.58 -0.69 0.09 0.00 0.00 178.44 178.48 1l7b s VAL 90 N -1.11 3.51 0.00 1.22 1.01 -0.76 -4.40 120.40 119.87 1l7b s VAL 90 Ca -0.01 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1l7b s VAL 90 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1l7b s VAL 90 CO 0.02 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1l7b n GLY 91 N 2.26 0.94 3.29 4.51 0.00 -1.26 -4.68 105.19 110.25 1l7b n GLY 91 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1l7b n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76