#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7b n GLU 2 N 0.00 0.00 0.00 3.17 4.07 -1.26 -4.97 120.64 121.65 1l7b n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1l7b n GLU 2 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1l7b n GLU 2 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1l7b n LYS 3 N 0.00 0.78 -0.96 5.31 4.81 -1.26 -3.09 118.16 123.76 1l7b n LYS 3 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1l7b n LYS 3 Cb 0.00 -1.00 0.20 0.00 0.02 0.00 0.00 35.03 34.25 1l7b n LYS 3 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1l7b n GLY 4 N 0.29 4.64 0.88 3.14 0.00 -1.26 -5.03 105.19 107.84 1l7b n GLY 4 Ca 0.00 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.04 -0.01 1.68 -0.02 0.00 -1.18 -4.70 105.19 99.92 1l7b n GLY 5 Ca 0.43 0.28 -0.16 0.00 0.00 0.00 0.00 46.02 46.57 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 1.67 2.44 0.00 1.61 4.07 -1.26 -4.85 120.64 124.32 1l7b n GLU 6 Ca 0.12 -3.43 0.00 0.00 -0.06 0.00 0.00 57.16 53.80 1l7b n GLU 6 Cb -0.01 -2.04 0.00 0.00 -0.06 0.00 0.00 31.44 29.32 1l7b n GLU 6 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1l7b n ALA 7 N -1.00 0.00 -0.57 4.31 0.00 -1.26 -4.37 120.51 117.63 1l7b n ALA 7 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1l7b n ALA 7 Cb 1.01 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.59 1l7b n ALA 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1l7b n LEU 8 N -0.54 0.38 -4.09 0.00 -0.00 -1.26 -4.97 117.00 106.51 1l7b n LEU 8 Ca 0.00 -0.39 -0.27 0.00 -0.00 0.00 0.00 56.01 55.35 1l7b n LEU 8 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 43.54 1l7b n LEU 8 CO 0.00 0.10 -0.70 1.17 -0.00 0.00 0.00 177.39 177.96 1l7b n LYS 9 N -0.02 -1.36 0.00 1.47 4.81 -1.26 -3.12 118.16 118.68 1l7b n LYS 9 Ca 0.00 -0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.05 1l7b n LYS 9 Cb 0.14 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.77 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 2.56 2.94 3.78 3.14 0.00 -1.26 -4.93 105.19 111.42 1l7b n GLY 10 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 3.68 -0.08 0.99 1.43 -1.18 -5.02 118.68 118.51 1l7b s LEU 11 Ca 0.00 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1l7b s LEU 11 Cb 0.00 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1l7b s LEU 11 CO 0.00 -0.02 -0.14 -0.89 0.23 0.00 0.00 176.35 175.52 1l7b s THR 12 N -2.15 3.01 -0.02 5.49 2.01 -1.26 -2.63 115.64 120.09 1l7b s THR 12 Ca 0.32 -0.72 0.05 0.00 0.31 0.00 0.00 61.69 61.66 1l7b s THR 12 Cb -0.08 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 1l7b s THR 12 CO 0.24 0.57 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.20 1l7b s PHE 13 N -0.35 1.61 0.21 4.92 0.08 -0.63 -4.67 117.98 119.15 1l7b s PHE 13 Ca 0.03 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 56.79 1l7b s PHE 13 Cb -0.12 -1.05 -0.05 0.00 -0.57 0.00 0.00 43.02 41.23 1l7b s PHE 13 CO 0.02 -0.04 0.00 0.14 -0.10 0.00 0.00 175.22 175.24 1l7b s VAL 14 N -0.37 0.89 0.01 -0.44 -7.23 -0.28 -1.84 120.40 111.13 1l7b s VAL 14 Ca 0.06 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 1l7b s VAL 14 Cb -0.07 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1l7b s VAL 14 CO -0.00 -0.35 -0.15 0.27 -0.31 0.00 0.00 175.10 174.55 1l7b s ILE 15 N -3.52 1.22 -1.58 -0.62 -4.36 -0.75 -0.62 121.20 110.97 1l7b s ILE 15 Ca 0.28 -0.79 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 1l7b s ILE 15 Cb 0.06 -1.04 0.00 0.00 1.25 0.00 0.00 42.46 42.73 1l7b s ILE 15 CO 0.07 0.24 0.51 1.07 0.24 0.00 0.00 174.94 177.07 1l7b n THR 16 N 2.41 0.28 -1.50 8.37 5.66 -1.26 -4.27 114.28 123.97 1l7b n THR 16 Ca -0.16 0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1l7b n THR 16 Cb 0.55 -1.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 1l7b n THR 16 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1l7b n GLY 17 N -1.01 0.80 0.00 1.09 0.00 -1.26 -4.86 105.19 99.95 1l7b n GLY 17 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1l7b n GLY 17 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1l7b n GLU 18 N -0.96 0.00 0.00 1.61 2.13 -1.26 -5.02 120.64 117.13 1l7b n GLU 18 Ca 0.00 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.96 1l7b n GLU 18 Cb 0.37 0.00 0.84 0.00 0.27 0.00 0.00 31.44 32.91 1l7b n GLU 18 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1l7b n LEU 19 N 0.00 0.00 0.00 4.31 4.32 -1.26 -3.78 117.00 120.58 1l7b n LEU 19 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 1l7b n LEU 19 Cb 0.00 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1l7b n LEU 19 CO 0.00 -0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 174.63 1l7b n SER 20 N -1.05 -1.49 -4.15 -1.43 3.41 -1.26 -3.84 113.62 103.81 1l7b n SER 20 Ca 0.20 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.69 1l7b n SER 20 Cb 0.12 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.61 1l7b n SER 20 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1l7b s ARG 21 N -2.26 1.24 0.00 4.33 1.81 -1.26 -4.89 118.95 117.91 1l7b s ARG 21 Ca 0.00 -1.66 0.00 0.00 -1.72 0.00 0.00 55.73 52.35 1l7b s ARG 21 Cb 0.00 0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.77 1l7b s ARG 21 CO 0.00 -0.40 0.71 -0.35 -0.68 0.00 0.00 175.30 174.57 1l7b n PRO 22 N -0.29 0.36 0.12 3.54 -0.04 -1.26 -4.54 135.00 132.89 1l7b n PRO 22 Ca 0.02 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.50 1l7b n PRO 22 Cb 0.66 -1.32 0.08 0.00 -0.04 0.00 0.00 33.50 32.88 1l7b n PRO 22 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1l7b n ARG 23 N 1.80 0.03 -0.06 0.54 1.85 -1.26 -0.13 116.66 119.42 1l7b n ARG 23 Ca 0.00 0.40 -0.09 0.00 -1.00 0.00 0.00 57.85 57.16 1l7b n ARG 23 Cb 0.18 -2.15 -0.07 0.00 -1.05 0.00 0.00 32.46 29.37 1l7b n ARG 23 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1l7b h GLU 24 N 0.00 0.00 -0.05 2.89 4.81 -1.99 -2.39 114.58 117.85 1l7b h GLU 24 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1l7b h GLU 24 Cb 1.14 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1l7b h GLU 24 CO 0.00 0.56 -0.19 1.49 -0.73 0.00 0.00 179.01 180.14 1l7b h GLU 25 N -1.00 -0.27 -0.26 1.92 4.57 -0.92 -0.62 114.58 117.99 1l7b h GLU 25 Ca -0.03 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1l7b h GLU 25 Cb 0.61 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1l7b h GLU 25 CO -0.02 -0.18 0.09 -0.24 -1.18 0.00 0.00 179.01 177.49 1l7b h VAL 26 N -0.28 1.11 -0.44 0.32 3.04 -1.63 -1.39 116.25 116.99 1l7b h VAL 26 Ca 0.07 -0.36 -0.05 0.00 -1.01 0.00 0.00 66.70 65.36 1l7b h VAL 26 Cb 0.38 0.81 -0.02 0.00 -2.01 0.00 0.00 31.29 30.45 1l7b h VAL 26 CO -0.22 0.14 0.08 0.11 -1.01 0.00 0.00 177.57 176.67 1l7b h LYS 27 N 0.37 0.66 -0.05 4.17 1.79 -0.61 1.09 116.57 123.99 1l7b h LYS 27 Ca 0.09 -0.13 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 1l7b h LYS 27 Cb 0.10 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1l7b h LYS 27 CO -0.01 0.62 -0.27 0.00 -1.08 0.00 0.00 179.45 178.71 1l7b h ALA 28 N 1.45 1.45 0.00 3.86 0.00 -0.13 -1.97 119.26 123.92 1l7b h ALA 28 Ca 0.14 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1l7b h ALA 28 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1l7b h ALA 28 CO 0.00 0.40 -1.19 -0.07 0.00 0.00 0.00 179.25 178.39 1l7b h LEU 29 N 0.08 0.00 0.13 0.00 -0.00 -0.95 -3.26 115.31 111.32 1l7b h LEU 29 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1l7b h LEU 29 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1l7b h LEU 29 CO 0.04 0.39 -0.06 0.25 -0.00 0.00 0.00 178.44 179.06 1l7b h LEU 30 N 0.00 -0.15 -0.53 1.67 7.12 0.18 -1.68 115.31 121.92 1l7b h LEU 30 Ca -0.10 -0.30 -0.01 0.00 0.13 0.00 0.00 57.88 57.60 1l7b h LEU 30 Cb 1.39 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 41.53 1l7b h LEU 30 CO 0.03 0.24 0.29 -0.09 -0.13 0.00 0.00 178.44 178.78 1l7b h ARG 31 N -0.56 0.73 -0.68 1.25 2.43 -1.51 -1.59 114.38 114.45 1l7b h ARG 31 Ca -0.02 -0.08 0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1l7b h ARG 31 Cb 0.44 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1l7b h ARG 31 CO 0.03 0.56 0.45 -0.09 -1.51 0.00 0.00 179.97 179.42 1l7b h ARG 32 N 0.70 0.58 -0.32 0.20 9.65 -1.59 0.29 114.38 123.89 1l7b h ARG 32 Ca 0.19 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1l7b h ARG 32 Cb 0.04 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 1l7b h ARG 32 CO -0.03 0.38 0.00 -0.11 2.80 0.00 0.00 179.97 183.01 1l7b n LEU 33 N -4.48 0.32 0.00 3.80 7.94 -0.60 -4.79 117.00 119.19 1l7b n LEU 33 Ca 0.11 -0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1l7b n LEU 33 Cb 0.31 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1l7b n LEU 33 CO 0.33 0.08 0.00 0.61 -1.11 0.00 0.00 177.39 177.30 1l7b n GLY 34 N 0.15 2.18 3.76 -3.96 0.00 0.09 -4.09 105.19 103.32 1l7b n GLY 34 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1l7b n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l7b s ALA 35 N -0.11 3.05 0.50 4.61 0.00 -1.23 -4.55 121.76 124.03 1l7b s ALA 35 Ca 0.00 1.12 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 1l7b s ALA 35 Cb 0.00 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1l7b s ALA 35 CO 0.00 -0.86 1.03 0.21 0.00 0.00 0.00 175.76 176.14 1l7b s LYS 36 N -2.56 3.78 -0.05 0.00 2.20 -1.08 -3.99 119.74 118.04 1l7b s LYS 36 Ca 0.63 1.31 0.05 0.00 -0.36 0.00 0.00 55.97 57.59 1l7b s LYS 36 Cb -0.34 -2.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.86 1l7b s LYS 36 CO 0.43 -0.44 -0.20 0.14 -0.36 0.00 0.00 175.35 174.92 1l7b s VAL 37 N -2.08 2.53 0.01 4.02 -7.23 -1.26 -1.60 120.40 114.79 1l7b s VAL 37 Ca 0.66 -0.91 -0.00 0.00 -1.81 0.00 0.00 61.98 59.92 1l7b s VAL 37 Cb -0.15 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1l7b s VAL 37 CO 0.22 0.58 0.01 0.41 -0.31 0.00 0.00 175.10 176.00 1l7b n THR 38 N 2.66 0.00 -1.51 5.32 -1.04 -0.77 -4.98 114.28 113.96 1l7b n THR 38 Ca -0.17 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1l7b n THR 38 Cb 0.52 0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 1l7b n THR 38 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1l7b n ASP 39 N -1.84 0.00 -3.64 8.00 5.68 -1.26 -1.81 116.55 121.68 1l7b n ASP 39 Ca -0.00 -0.98 -0.23 0.00 -0.50 0.00 0.00 54.79 53.08 1l7b n ASP 39 Cb 0.01 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.91 1l7b n ASP 39 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1l7b n SER 40 N 0.00 0.35 -3.85 -1.12 7.64 -1.26 -4.48 113.62 110.89 1l7b n SER 40 Ca 0.00 -3.23 -0.10 0.00 1.01 0.00 0.00 58.87 56.55 1l7b n SER 40 Cb 0.25 1.35 -0.08 0.00 -1.01 0.00 0.00 64.21 64.72 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 -3.24 0.12 0.00 0.44 -7.23 -1.26 -4.85 120.40 104.38 1l7b s VAL 41 Ca 0.30 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1l7b s VAL 41 Cb 0.01 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.86 1l7b s VAL 41 CO 0.21 -0.56 0.00 -1.20 -0.31 0.00 0.00 175.10 173.24 1l7b n SER 42 N 0.37 0.00 0.00 4.85 7.64 -1.19 -5.03 113.62 120.26 1l7b n SER 42 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1l7b n SER 42 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1l7b n SER 42 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1l7b n ARG 43 N -1.34 0.00 0.26 1.43 0.63 -1.26 -4.93 116.66 111.45 1l7b n ARG 43 Ca 0.00 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.02 1l7b n ARG 43 Cb 0.00 0.00 0.67 0.00 0.45 0.00 0.00 32.46 33.58 1l7b n ARG 43 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1l7b h LYS 44 N 0.00 0.00 -4.62 -0.14 6.56 -2.02 -3.37 116.57 112.98 1l7b h LYS 44 Ca 0.00 0.00 -0.70 0.00 -1.06 0.00 0.00 60.65 58.89 1l7b h LYS 44 Cb 0.00 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 31.44 1l7b h LYS 44 CO 0.00 0.05 -0.49 0.99 -2.06 0.00 0.00 179.45 177.94 1l7b s THR 45 N -4.82 4.86 -0.44 -0.16 2.01 -1.26 -4.95 115.64 110.89 1l7b s THR 45 Ca -0.05 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.40 1l7b s THR 45 Cb 0.16 -3.64 0.29 0.00 0.01 0.00 0.00 72.50 69.32 1l7b s THR 45 CO 0.65 -0.16 0.86 -1.20 -0.69 0.00 0.00 174.62 174.07 1l7b n SER 46 N 5.05 -1.50 -3.69 3.53 7.64 -1.26 -3.19 113.62 120.21 1l7b n SER 46 Ca -0.12 -3.26 -0.10 0.00 1.01 0.00 0.00 58.87 56.39 1l7b n SER 46 Cb 0.47 0.97 -0.11 0.00 -1.01 0.00 0.00 64.21 64.53 1l7b n SER 46 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1l7b s TYR 47 N -0.34 -0.61 0.01 1.43 2.02 -1.25 -4.13 117.35 114.48 1l7b s TYR 47 Ca 0.31 1.27 0.07 0.00 -0.37 0.00 0.00 57.07 58.35 1l7b s TYR 47 Cb 0.26 0.23 -0.02 0.00 -0.40 0.00 0.00 41.96 42.03 1l7b s TYR 47 CO -0.13 -0.36 -0.21 -1.17 -1.57 0.00 0.00 175.55 172.10 1l7b s LEU 48 N 1.72 2.10 -0.32 -1.29 0.20 -1.26 -1.13 118.68 118.70 1l7b s LEU 48 Ca -0.07 -0.45 -0.21 0.00 0.69 0.00 0.00 54.13 54.09 1l7b s LEU 48 Cb -0.10 -1.05 -0.00 0.00 -0.43 0.00 0.00 46.19 44.61 1l7b s LEU 48 CO -0.12 0.22 0.69 0.68 -0.29 0.00 0.00 176.35 177.53 1l7b s VAL 49 N -0.63 4.87 1.06 1.68 -7.23 0.21 -2.01 120.40 118.35 1l7b s VAL 49 Ca 0.08 0.92 -0.18 0.00 -1.81 0.00 0.00 61.98 60.99 1l7b s VAL 49 Cb -0.08 -4.07 0.05 0.00 0.56 0.00 0.00 36.38 32.83 1l7b s VAL 49 CO 0.00 -0.22 -0.09 0.52 -0.31 0.00 0.00 175.10 175.01 1l7b n VAL 50 N 5.49 0.00 0.10 1.32 0.31 -1.10 -4.70 118.33 119.75 1l7b n VAL 50 Ca 0.01 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1l7b n VAL 50 Cb 0.49 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 2.11 -0.20 0.00 2.92 0.00 -1.26 -4.30 105.19 104.46 1l7b n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.42 0.00 0.05 1.61 2.13 -1.26 -4.91 120.64 114.84 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 -1.71 -0.41 0.00 0.00 177.13 175.01 1l7b n ASN 53 N 0.00 0.75 0.00 4.31 5.15 -1.26 -4.75 115.26 119.47 1l7b n ASN 53 Ca 0.00 0.16 0.01 0.00 -0.60 0.00 0.00 54.58 54.16 1l7b n ASN 53 Cb 0.00 -0.18 0.08 0.00 -0.53 0.00 0.00 39.78 39.15 1l7b n ASN 53 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1l7b n PRO 54 N -3.32 0.91 -0.91 1.20 -0.04 -1.26 -4.83 135.00 126.74 1l7b n PRO 54 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1l7b n PRO 54 Cb 0.00 -1.05 0.21 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.18 1.55 0.00 0.55 0.00 -1.26 -4.90 107.32 102.08 1l7b s GLY 55 Ca 0.04 -0.29 0.29 0.00 0.00 0.00 0.00 44.72 44.77 1l7b s GLY 55 CO 0.03 0.38 2.01 -1.26 0.00 0.00 0.00 173.10 174.26 1l7b n SER 56 N -4.52 0.00 0.33 1.64 2.88 -1.25 -3.43 113.62 109.27 1l7b n SER 56 Ca 0.04 0.01 0.19 0.00 -1.33 0.00 0.00 58.87 57.78 1l7b n SER 56 Cb 0.56 -0.33 1.01 0.00 -0.75 0.00 0.00 64.21 64.70 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 -0.09 -1.46 -0.00 -1.80 -1.79 116.57 111.43 1l7b h LYS 57 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.68 1l7b h LYS 57 Cb 0.33 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.55 1l7b h LYS 57 CO 0.00 0.00 0.53 1.25 -0.00 0.00 0.00 179.45 181.23 1l7b h LEU 58 N 0.00 0.00 0.27 7.07 5.85 -1.88 1.17 115.31 127.80 1l7b h LEU 58 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1l7b h LEU 58 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1l7b h LEU 58 CO 0.00 0.00 -0.13 -0.08 -0.34 0.00 0.00 178.44 177.89 1l7b h GLU 59 N 0.00 -0.35 0.10 1.25 4.57 -1.65 -2.27 114.58 116.23 1l7b h GLU 59 Ca 0.04 0.02 -0.27 0.00 -1.18 0.00 0.00 59.36 57.97 1l7b h GLU 59 Cb 1.11 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1l7b h GLU 59 CO -0.00 -0.23 -1.31 -0.22 -1.18 0.00 0.00 179.01 176.06 1l7b h LYS 60 N -0.77 0.20 -0.66 1.92 3.64 -1.59 -2.79 116.57 116.52 1l7b h LYS 60 Ca -0.04 -0.34 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1l7b h LYS 60 Cb 0.28 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1l7b h LYS 60 CO 0.06 1.11 0.26 0.00 -2.27 0.00 0.00 179.45 178.61 1l7b h ALA 61 N 0.65 1.22 -0.23 5.00 0.00 0.12 -1.96 119.26 124.05 1l7b h ALA 61 Ca -0.15 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 1l7b h ALA 61 Cb 1.95 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1l7b h ALA 61 CO 0.17 0.57 -0.58 -0.09 0.00 0.00 0.00 179.25 179.32 1l7b h ARG 62 N 0.95 0.75 -4.18 0.00 2.43 -1.47 -3.45 114.38 109.41 1l7b h ARG 62 Ca 0.22 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1l7b h ARG 62 Cb 0.19 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1l7b h ARG 62 CO -0.02 1.12 0.00 0.00 -1.51 0.00 0.00 179.97 179.56 1l7b n ALA 63 N -2.56 -1.00 0.23 2.80 0.00 -0.74 -4.73 120.51 114.51 1l7b n ALA 63 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.33 1l7b n ALA 63 Cb 0.64 -0.45 0.04 0.00 0.00 0.00 0.00 19.45 19.68 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 2.08 4.32 0.00 0.00 -0.00 -1.26 -4.31 117.00 117.82 1l7b n LEU 64 Ca 0.00 -2.19 0.00 0.00 -0.00 0.00 0.00 56.01 53.82 1l7b n LEU 64 Cb 0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 42.74 1l7b n LEU 64 CO 0.00 0.73 0.00 0.61 -0.00 0.00 0.00 177.39 178.73 1l7b n GLY 65 N 0.23 0.85 3.86 1.47 0.00 -1.26 -5.15 105.19 105.19 1l7b n GLY 65 Ca 0.15 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 3.93 0.02 1.61 -7.23 -1.26 -5.05 120.40 112.42 1l7b s VAL 66 Ca 0.00 0.63 -0.17 0.00 -1.81 0.00 0.00 61.98 60.63 1l7b s VAL 66 Cb 0.00 -3.56 -0.06 0.00 0.56 0.00 0.00 36.38 33.32 1l7b s VAL 66 CO 0.00 -0.82 0.48 -2.16 -0.31 0.00 0.00 175.10 172.29 1l7b s PRO 67 N -5.23 4.07 -0.03 4.82 0.04 -1.26 -4.73 135.00 132.68 1l7b s PRO 67 Ca 0.57 0.56 0.04 0.00 0.04 0.00 0.00 61.00 62.21 1l7b s PRO 67 Cb -0.12 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.17 1l7b s PRO 67 CO 0.53 0.63 -0.14 0.95 0.04 0.00 0.00 177.00 179.01 1l7b s THR 68 N -0.95 1.19 -0.19 1.26 -4.23 -1.26 -3.95 115.64 107.50 1l7b s THR 68 Ca 0.26 -0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 60.13 1l7b s THR 68 Cb -0.18 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 1l7b s THR 68 CO 0.16 0.35 0.01 -0.76 -0.54 0.00 0.00 174.62 173.84 1l7b s LEU 69 N 0.06 3.38 0.43 4.79 2.01 -0.85 -4.88 118.68 123.62 1l7b s LEU 69 Ca -0.03 -0.14 -0.26 0.00 0.01 0.00 0.00 54.13 53.72 1l7b s LEU 69 Cb -0.10 -1.85 -0.09 0.00 0.01 0.00 0.00 46.19 44.16 1l7b s LEU 69 CO 0.01 0.09 1.41 -0.89 1.01 0.00 0.00 176.35 177.99 1l7b s THR 70 N 0.83 2.19 -0.06 5.49 2.01 -1.26 -2.72 115.64 122.12 1l7b s THR 70 Ca 0.01 0.17 0.30 0.00 0.31 0.00 0.00 61.69 62.48 1l7b s THR 70 Cb -0.14 -3.10 0.36 0.00 0.01 0.00 0.00 72.50 69.63 1l7b s THR 70 CO 0.02 0.03 1.86 -0.08 -0.69 0.00 0.00 174.62 175.75 1l7b h GLU 71 N 2.50 0.00 -0.88 4.92 4.81 -1.84 -3.20 114.58 120.89 1l7b h GLU 71 Ca -0.51 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 58.96 1l7b h GLU 71 Cb 1.26 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.49 1l7b h GLU 71 CO 0.62 0.02 0.13 1.49 -0.73 0.00 0.00 179.01 180.55 1l7b h GLU 72 N 0.00 0.12 -0.87 1.92 4.57 -1.90 1.04 114.58 119.46 1l7b h GLU 72 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1l7b h GLU 72 Cb 0.69 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 1l7b h GLU 72 CO 0.00 0.08 0.56 1.49 -1.18 0.00 0.00 179.01 179.96 1l7b h GLU 73 N 0.12 1.16 -0.59 1.92 4.57 -1.95 -1.07 114.58 118.74 1l7b h GLU 73 Ca 0.54 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.68 1l7b h GLU 73 Cb 1.09 -0.26 -0.04 0.00 -0.16 0.00 0.00 28.75 29.38 1l7b h GLU 73 CO -0.73 0.78 0.34 1.25 -1.18 0.00 0.00 179.01 179.47 1l7b h LEU 74 N 1.19 0.52 -1.05 1.64 7.12 0.91 -0.93 115.31 124.70 1l7b h LEU 74 Ca 0.32 0.02 -0.07 0.00 0.13 0.00 0.00 57.88 58.27 1l7b h LEU 74 Cb -0.11 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 39.92 1l7b h LEU 74 CO -0.07 0.35 -0.07 1.88 -0.13 0.00 0.00 178.44 180.41 1l7b h TYR 75 N 0.65 0.63 0.00 1.25 0.05 -0.50 -1.13 116.97 117.92 1l7b h TYR 75 Ca 0.25 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1l7b h TYR 75 Cb 0.10 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.66 1l7b h TYR 75 CO -0.07 0.65 0.00 0.54 -1.05 0.00 0.00 178.16 178.23 1l7b n ARG 76 N -4.22 0.00 -0.30 4.88 1.74 -0.42 -0.78 116.66 117.56 1l7b n ARG 76 Ca 0.01 0.19 0.26 0.00 -0.77 0.00 0.00 57.85 57.54 1l7b n ARG 76 Cb 0.31 -1.13 0.59 0.00 -1.02 0.00 0.00 32.46 31.20 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 0.30 0.46 0.55 -0.00 -1.46 -0.98 115.31 114.18 1l7b h LEU 77 Ca 0.00 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1l7b h LEU 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1l7b h LEU 77 CO 0.00 0.06 -0.22 0.25 -0.00 0.00 0.00 178.44 178.53 1l7b h LEU 78 N 0.27 -0.52 -1.52 1.67 5.85 -1.14 1.28 115.31 121.19 1l7b h LEU 78 Ca 0.56 0.02 0.24 0.00 0.84 0.00 0.00 57.88 59.54 1l7b h LEU 78 Cb 1.67 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 42.76 1l7b h LEU 78 CO -0.19 -0.34 0.65 -0.08 -0.34 0.00 0.00 178.44 178.14 1l7b h GLU 79 N -0.69 0.33 0.00 1.25 4.22 -0.18 0.30 114.58 119.82 1l7b h GLU 79 Ca -0.06 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.36 1l7b h GLU 79 Cb 0.47 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1l7b h GLU 79 CO 0.10 0.22 -0.03 0.00 -2.18 0.00 0.00 179.01 177.13 1l7b h ALA 80 N 1.59 0.00 -0.91 2.92 0.00 -1.02 -0.93 119.26 120.91 1l7b h ALA 80 Ca 0.53 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.60 1l7b h ALA 80 Cb 1.43 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 19.08 1l7b h ALA 80 CO -0.20 0.03 -0.11 -0.09 0.00 0.00 0.00 179.25 178.87 1l7b h ARG 81 N -0.35 0.02 0.10 0.00 2.43 0.18 0.49 114.38 117.25 1l7b h ARG 81 Ca 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1l7b h ARG 81 Cb 0.03 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1l7b h ARG 81 CO 0.00 0.01 -0.05 1.15 -1.51 0.00 0.00 179.97 179.58 1l7b h THR 82 N 0.02 1.05 0.00 0.20 2.02 -0.53 -3.47 112.91 112.20 1l7b h THR 82 Ca 0.48 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1l7b h THR 82 Cb 0.85 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1l7b h THR 82 CO -0.89 0.13 0.00 0.61 0.37 0.00 0.00 175.52 175.74 1l7b n GLY 83 N -0.46 0.66 3.22 2.16 0.00 0.17 -5.05 105.19 105.90 1l7b n GLY 83 Ca -0.08 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.94 0.75 -0.53 1.61 2.20 -1.21 -5.02 119.74 116.60 1l7b s LYS 84 Ca 0.00 -0.53 -0.26 0.00 -0.36 0.00 0.00 55.97 54.82 1l7b s LYS 84 Cb 0.00 0.32 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 1l7b s LYS 84 CO 0.00 -0.23 2.24 -1.59 -0.36 0.00 0.00 175.35 175.41 1l7b s LYS 85 N -2.45 2.25 0.57 4.03 -2.85 -1.26 -4.72 119.74 115.31 1l7b s LYS 85 Ca -0.06 1.16 0.30 0.00 -1.00 0.00 0.00 55.97 56.37 1l7b s LYS 85 Cb -0.01 -4.53 1.45 0.00 -2.06 0.00 0.00 37.83 32.68 1l7b s LYS 85 CO -0.03 -3.13 1.87 0.00 0.10 0.00 0.00 175.35 174.16 1l7b h ALA 86 N 18.17 2.45 -0.12 0.59 0.00 -1.93 0.43 119.26 138.85 1l7b h ALA 86 Ca -0.24 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1l7b h ALA 86 Cb 1.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1l7b h ALA 86 CO 1.18 -0.90 -0.58 0.93 0.00 0.00 0.00 179.25 179.88 1l7b h GLU 87 N 0.00 0.39 0.00 0.00 3.07 -1.88 -3.46 114.58 112.70 1l7b h GLU 87 Ca 0.30 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1l7b h GLU 87 Cb 1.44 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 1l7b h GLU 87 CO -0.00 0.86 0.00 0.39 -1.40 0.00 0.00 179.01 178.86 1l7b n GLU 88 N -3.92 0.00 0.28 2.33 -0.58 0.15 -2.73 120.64 116.17 1l7b n GLU 88 Ca -0.03 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.59 1l7b n GLU 88 Cb 0.61 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.42 1l7b n GLU 88 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1l7b h LEU 89 N 0.00 -0.75 -3.00 -4.62 5.85 -1.89 -2.54 115.31 108.35 1l7b h LEU 89 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1l7b h LEU 89 Cb 0.00 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1l7b h LEU 89 CO 0.00 -0.47 0.00 1.33 -0.34 0.00 0.00 178.44 178.96 1l7b n VAL 90 N -4.24 1.89 -3.36 1.05 0.24 -1.11 -4.86 118.33 107.94 1l7b n VAL 90 Ca -0.09 -0.46 -0.37 0.00 -2.04 0.00 0.00 64.34 61.37 1l7b n VAL 90 Cb 0.31 -1.46 -0.06 0.00 -1.47 0.00 0.00 33.84 31.16 1l7b n VAL 90 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1l7b s GLY 91 N 1.96 2.56 0.00 7.63 0.00 -0.96 -4.85 107.32 113.67 1l7b s GLY 91 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1l7b s GLY 91 CO 0.00 0.28 0.00 1.44 0.00 0.00 0.00 173.10 174.82