#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7b s GLU 2 N 0.00 3.28 0.00 0.03 8.01 -1.26 -4.81 118.70 123.95 1l7b s GLU 2 Ca 0.00 -0.73 0.11 0.00 0.01 0.00 0.00 54.97 54.36 1l7b s GLU 2 Cb 0.00 -4.49 0.42 0.00 -4.31 0.00 0.00 34.13 25.76 1l7b s GLU 2 CO 0.00 -2.02 1.31 1.17 0.01 0.00 0.00 175.26 175.73 1l7b n LYS 3 N 8.50 1.47 -1.05 1.61 3.00 -1.26 -4.94 118.16 125.49 1l7b n LYS 3 Ca 0.09 -0.73 0.00 0.00 -0.00 0.00 0.00 58.31 57.67 1l7b n LYS 3 Cb 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 34.29 1l7b n LYS 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1l7b n GLY 4 N 0.89 -2.05 0.00 3.14 0.00 -1.26 -5.00 105.19 100.92 1l7b n GLY 4 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.34 0.25 0.00 -0.02 0.00 -1.26 -5.04 105.19 99.46 1l7b n GLY 5 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1l7b n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l7b n GLU 6 N 0.00 0.00 0.00 1.61 4.71 -1.26 -4.99 120.64 120.71 1l7b n GLU 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1l7b n GLU 6 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1l7b n GLU 6 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1l7b n ALA 7 N -2.11 0.00 -0.01 0.62 0.00 -1.26 -3.11 120.51 114.63 1l7b n ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1l7b n ALA 7 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.52 -4.05 0.00 -0.00 -1.26 -5.02 117.00 107.19 1l7b n LEU 8 Ca 0.00 -0.75 -0.24 0.00 -0.00 0.00 0.00 56.01 55.02 1l7b n LEU 8 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 43.53 1l7b n LEU 8 CO 0.00 0.13 -0.64 1.17 -0.00 0.00 0.00 177.39 178.04 1l7b n LYS 9 N -0.45 -1.27 0.00 1.47 4.81 -1.18 -3.66 118.16 117.87 1l7b n LYS 9 Ca 0.00 -0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.07 1l7b n LYS 9 Cb 0.00 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 33.70 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 2.65 1.90 3.59 3.14 0.00 -1.26 -4.93 105.19 110.28 1l7b n GLY 10 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 2.17 0.07 0.99 1.43 -1.24 -5.06 118.68 117.04 1l7b s LEU 11 Ca 0.00 -1.61 0.06 0.00 -1.03 0.00 0.00 54.13 51.55 1l7b s LEU 11 Cb 0.00 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.81 1l7b s LEU 11 CO 0.00 -0.84 -0.16 -0.89 0.23 0.00 0.00 176.35 174.70 1l7b s THR 12 N -3.09 1.26 -0.03 5.49 2.01 -1.26 -2.63 115.64 117.39 1l7b s THR 12 Ca 0.21 -1.32 0.07 0.00 0.31 0.00 0.00 61.69 60.95 1l7b s THR 12 Cb 0.04 -1.18 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 1l7b s THR 12 CO 0.11 -0.15 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.31 1l7b s PHE 13 N -1.18 2.09 0.11 4.92 0.08 -0.74 -4.63 117.98 118.62 1l7b s PHE 13 Ca 0.01 -0.46 0.05 0.00 0.12 0.00 0.00 56.93 56.64 1l7b s PHE 13 Cb -0.10 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 1l7b s PHE 13 CO 0.03 -0.09 -0.11 0.08 -0.10 0.00 0.00 175.22 175.03 1l7b s VAL 14 N -0.40 1.10 -0.11 -0.44 1.01 0.32 -1.89 120.40 119.99 1l7b s VAL 14 Ca 0.05 -1.72 0.03 0.00 0.00 0.00 0.00 61.98 60.34 1l7b s VAL 14 Cb -0.10 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1l7b s VAL 14 CO 0.00 -0.54 -0.22 0.27 0.00 0.00 0.00 175.10 174.61 1l7b s ILE 15 N -2.46 1.97 -1.03 2.22 -0.00 -1.06 -2.34 121.20 118.50 1l7b s ILE 15 Ca 0.08 -0.96 -0.25 0.00 -0.00 0.00 0.00 60.65 59.52 1l7b s ILE 15 Cb -0.03 -1.72 -0.14 0.00 -0.00 0.00 0.00 42.46 40.57 1l7b s ILE 15 CO 0.01 0.54 2.09 -0.89 -0.00 0.00 0.00 174.94 176.69 1l7b s THR 16 N 0.50 3.24 0.00 8.37 2.01 -1.26 -4.49 115.64 124.01 1l7b s THR 16 Ca -0.15 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1l7b s THR 16 Cb -0.17 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1l7b s THR 16 CO 0.06 -0.46 0.00 0.61 -0.69 0.00 0.00 174.62 174.13 1l7b n GLY 17 N 6.30 -0.47 2.82 4.40 0.00 -1.25 -3.86 105.19 113.12 1l7b n GLY 17 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 1l7b n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1l7b s GLU 18 N 0.00 0.36 0.00 1.61 2.02 -1.26 -4.99 118.70 116.44 1l7b s GLU 18 Ca 0.00 -0.03 0.06 0.00 0.02 0.00 0.00 54.97 55.01 1l7b s GLU 18 Cb 0.00 -0.52 0.29 0.00 0.10 0.00 0.00 34.13 34.01 1l7b s GLU 18 CO 0.00 -1.03 0.96 1.28 0.02 0.00 0.00 175.26 176.48 1l7b n LEU 19 N 5.33 0.00 -0.22 1.80 4.32 -1.25 -3.63 117.00 123.35 1l7b n LEU 19 Ca -0.01 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1l7b n LEU 19 Cb 0.47 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1l7b n LEU 19 CO -0.01 -0.17 0.00 -1.20 -1.22 0.00 0.00 177.39 174.80 1l7b n SER 20 N -1.20 -1.10 -3.33 -1.43 7.64 -1.26 -3.62 113.62 109.32 1l7b n SER 20 Ca 0.03 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.80 1l7b n SER 20 Cb 0.04 -0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 62.88 1l7b n SER 20 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1l7b s ARG 21 N -3.20 1.93 0.00 1.43 0.52 -1.26 -4.97 118.95 113.40 1l7b s ARG 21 Ca 0.00 -1.53 -0.00 0.00 -0.52 0.00 0.00 55.73 53.68 1l7b s ARG 21 Cb 0.00 0.51 -0.02 0.00 0.52 0.00 0.00 34.95 35.96 1l7b s ARG 21 CO 0.00 -0.84 1.30 -0.35 0.02 0.00 0.00 175.30 175.43 1l7b n PRO 22 N -0.51 0.65 0.22 3.54 -0.04 -1.26 -4.57 135.00 133.03 1l7b n PRO 22 Ca -0.03 -0.07 0.02 0.00 -0.04 0.00 0.00 63.50 63.38 1l7b n PRO 22 Cb 0.61 -1.29 0.11 0.00 -0.04 0.00 0.00 33.50 32.89 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 2.53 0.00 0.00 0.54 0.11 -1.98 0.38 114.38 115.96 1l7b h ARG 23 Ca 0.01 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.06 1l7b h ARG 23 Cb 0.62 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.69 1l7b h ARG 23 CO 0.04 0.00 -0.17 0.93 0.10 0.00 0.00 179.97 180.87 1l7b h GLU 24 N 0.00 0.00 0.01 0.08 4.39 -1.99 -1.96 114.58 115.11 1l7b h GLU 24 Ca 0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1l7b h GLU 24 Cb 1.43 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.05 1l7b h GLU 24 CO 0.00 0.89 -0.11 1.05 -1.16 0.00 0.00 179.01 179.68 1l7b h GLU 25 N -1.00 -0.18 0.00 2.33 4.11 -0.64 -1.30 114.58 117.90 1l7b h GLU 25 Ca -0.05 0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.34 1l7b h GLU 25 Cb 0.93 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1l7b h GLU 25 CO -0.03 -0.12 -0.29 -0.24 0.07 0.00 0.00 179.01 178.40 1l7b h VAL 26 N -0.19 1.13 -0.65 -1.06 3.04 -1.61 -2.51 116.25 114.40 1l7b h VAL 26 Ca 0.04 -1.00 -0.01 0.00 -1.01 0.00 0.00 66.70 64.71 1l7b h VAL 26 Cb 0.24 1.55 -0.03 0.00 -2.01 0.00 0.00 31.29 31.04 1l7b h VAL 26 CO -0.11 0.28 0.37 0.11 -1.01 0.00 0.00 177.57 177.21 1l7b h LYS 27 N 0.00 0.90 -0.14 4.17 1.79 -0.45 1.09 116.57 123.93 1l7b h LYS 27 Ca -0.00 -0.10 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 1l7b h LYS 27 Cb 0.53 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1l7b h LYS 27 CO 0.04 0.67 -0.13 0.00 -1.08 0.00 0.00 179.45 178.94 1l7b h ALA 28 N 1.18 1.52 0.00 3.86 0.00 -0.89 -1.36 119.26 123.58 1l7b h ALA 28 Ca 0.23 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1l7b h ALA 28 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1l7b h ALA 28 CO -0.04 0.34 -0.86 -0.07 0.00 0.00 0.00 179.25 178.62 1l7b h LEU 29 N 0.21 0.00 0.10 0.00 4.07 -0.98 -3.05 115.31 115.65 1l7b h LEU 29 Ca 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 1l7b h LEU 29 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1l7b h LEU 29 CO 0.02 0.65 -0.05 0.25 -1.08 0.00 0.00 178.44 178.23 1l7b h LEU 30 N 0.00 -0.11 -0.60 1.67 6.46 0.21 -2.61 115.31 120.33 1l7b h LEU 30 Ca -0.05 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 1l7b h LEU 30 Cb 1.54 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.47 1l7b h LEU 30 CO 0.08 0.35 0.39 -0.09 -0.62 0.00 0.00 178.44 178.55 1l7b h ARG 31 N -0.60 0.79 -0.83 1.25 2.43 -1.41 -0.45 114.38 115.56 1l7b h ARG 31 Ca -0.01 -0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.30 1l7b h ARG 31 Cb 0.49 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1l7b h ARG 31 CO 0.02 0.53 0.56 -0.09 -1.51 0.00 0.00 179.97 179.48 1l7b h ARG 32 N 0.81 0.30 -0.32 0.20 2.43 -1.53 0.30 114.38 116.57 1l7b h ARG 32 Ca 0.22 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1l7b h ARG 32 Cb -0.09 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1l7b h ARG 32 CO -0.05 0.20 0.00 -0.11 -1.51 0.00 0.00 179.97 178.50 1l7b n LEU 33 N -4.45 0.32 0.00 3.80 7.94 -0.18 -4.83 117.00 119.59 1l7b n LEU 33 Ca 0.17 -0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1l7b n LEU 33 Cb 0.69 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.48 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 1.88 3.54 -3.96 0.00 0.10 -4.34 105.19 102.56 1l7b n GLY 34 Ca 0.00 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.55 -1.71 4.61 0.00 -1.26 -4.84 120.51 116.76 1l7b n ALA 35 Ca 0.00 0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 1l7b n ALA 35 Cb 0.00 -1.95 0.01 0.00 0.00 0.00 0.00 19.45 17.51 1l7b n ALA 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1l7b s LYS 36 N -2.25 3.39 0.16 0.00 2.47 -1.08 -4.12 119.74 118.31 1l7b s LYS 36 Ca 0.70 1.00 0.08 0.00 -1.56 0.00 0.00 55.97 56.19 1l7b s LYS 36 Cb -0.47 -2.05 -0.04 0.00 -1.46 0.00 0.00 37.83 33.81 1l7b s LYS 36 CO 0.53 -0.74 -0.18 0.14 0.16 0.00 0.00 175.35 175.26 1l7b s VAL 37 N -2.78 1.79 0.00 4.02 -7.23 -1.26 -1.80 120.40 113.14 1l7b s VAL 37 Ca 0.59 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1l7b s VAL 37 Cb -0.13 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.99 1l7b s VAL 37 CO 0.44 -0.31 0.00 0.35 -0.31 0.00 0.00 175.10 175.27 1l7b n THR 38 N 0.33 0.00 -1.57 5.32 -2.24 -0.79 -4.93 114.28 110.40 1l7b n THR 38 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1l7b n THR 38 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.33 0.00 -4.60 3.42 5.75 -1.26 -2.55 116.55 116.98 1l7b n ASP 39 Ca 0.00 -1.00 -0.31 0.00 -0.01 0.00 0.00 54.79 53.47 1l7b n ASP 39 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 1l7b n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1l7b s SER 40 N 0.00 3.77 -0.01 -1.12 1.04 -1.26 -3.94 113.70 112.18 1l7b s SER 40 Ca 0.00 -1.62 -0.04 0.00 0.48 0.00 0.00 55.95 54.78 1l7b s SER 40 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1l7b s SER 40 CO 0.00 -0.81 0.08 0.68 0.98 0.00 0.00 173.24 174.16 1l7b s VAL 41 N -2.94 0.04 0.00 5.02 -7.23 -1.26 -4.83 120.40 109.20 1l7b s VAL 41 Ca 0.14 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 1l7b s VAL 41 Cb 0.03 -0.23 0.00 0.00 0.56 0.00 0.00 36.38 36.74 1l7b s VAL 41 CO 0.07 -0.19 0.00 -1.54 -0.31 0.00 0.00 175.10 173.13 1l7b n SER 42 N 2.37 0.00 0.00 4.85 3.41 -1.21 -5.03 113.62 118.01 1l7b n SER 42 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1l7b n SER 42 Cb 0.58 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1l7b n SER 42 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1l7b n ARG 43 N -1.72 0.00 0.00 4.33 0.63 -1.26 -4.91 116.66 113.74 1l7b n ARG 43 Ca 0.00 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 1l7b n ARG 43 Cb 0.00 0.00 0.23 0.00 0.45 0.00 0.00 32.46 33.14 1l7b n ARG 43 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1l7b n LYS 44 N 0.00 0.00 -3.94 -0.14 2.85 -1.26 -4.22 118.16 111.45 1l7b n LYS 44 Ca 0.00 0.32 -0.31 0.00 -1.05 0.00 0.00 58.31 57.27 1l7b n LYS 44 Cb 0.00 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 32.72 1l7b n LYS 44 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1l7b s THR 45 N -3.00 1.76 -0.44 0.58 2.01 -1.26 -5.00 115.64 110.29 1l7b s THR 45 Ca 0.05 -1.80 0.07 0.00 0.31 0.00 0.00 61.69 60.32 1l7b s THR 45 Cb 0.07 -2.20 0.24 0.00 0.01 0.00 0.00 72.50 70.62 1l7b s THR 45 CO 0.20 -0.45 0.66 -1.54 -0.69 0.00 0.00 174.62 172.80 1l7b n SER 46 N 4.51 -1.26 -3.70 3.53 3.41 -1.26 -3.32 113.62 115.53 1l7b n SER 46 Ca -0.03 -2.92 -0.12 0.00 -0.26 0.00 0.00 58.87 55.55 1l7b n SER 46 Cb 0.42 0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 64.70 1l7b n SER 46 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1l7b s TYR 47 N -0.26 -0.45 -0.04 7.33 2.02 -1.26 -4.07 117.35 120.62 1l7b s TYR 47 Ca 0.33 1.01 0.07 0.00 -0.37 0.00 0.00 57.07 58.11 1l7b s TYR 47 Cb 0.18 0.12 -0.01 0.00 -0.40 0.00 0.00 41.96 41.84 1l7b s TYR 47 CO -0.17 -0.30 -0.25 -1.17 -1.57 0.00 0.00 175.55 172.10 1l7b s LEU 48 N 1.55 2.05 -0.71 -1.29 0.20 -1.26 -0.52 118.68 118.69 1l7b s LEU 48 Ca -0.07 -0.48 -0.25 0.00 0.69 0.00 0.00 54.13 54.02 1l7b s LEU 48 Cb -0.10 -1.32 0.05 0.00 -0.43 0.00 0.00 46.19 44.39 1l7b s LEU 48 CO -0.10 0.27 1.16 0.68 -0.29 0.00 0.00 176.35 178.07 1l7b s VAL 49 N -0.35 3.95 -0.82 1.68 -7.23 -0.99 -1.61 120.40 115.03 1l7b s VAL 49 Ca 0.03 0.10 -0.25 0.00 -1.81 0.00 0.00 61.98 60.04 1l7b s VAL 49 Cb -0.12 -4.83 0.01 0.00 0.56 0.00 0.00 36.38 32.00 1l7b s VAL 49 CO 0.01 -1.71 1.58 -0.69 -0.31 0.00 0.00 175.10 173.98 1l7b s VAL 50 N 5.09 3.65 -0.13 1.32 1.01 -0.98 -4.46 120.40 125.89 1l7b s VAL 50 Ca 0.30 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.04 1l7b s VAL 50 Cb -0.11 -4.57 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 1l7b s VAL 50 CO 0.13 -1.50 -0.27 0.61 0.00 0.00 0.00 175.10 174.06 1l7b n GLY 51 N 6.16 -0.41 0.00 4.51 0.00 -1.26 -1.84 105.19 112.35 1l7b n GLY 51 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.19 1.08 0.02 1.61 4.07 -1.26 -5.00 120.64 116.98 1l7b n GLU 52 Ca -0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 1l7b n GLU 52 Cb 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 1l7b n GLU 52 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1l7b n ASN 53 N 0.00 0.30 -0.24 4.31 3.02 -1.26 -4.74 115.26 116.65 1l7b n ASN 53 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1l7b n ASN 53 Cb 0.00 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 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 -2.83 0.75 -1.32 3.52 -0.04 -1.26 -4.80 135.00 129.02 1l7b n PRO 54 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1l7b n PRO 54 Cb 0.00 -1.18 0.09 0.00 -0.04 0.00 0.00 33.50 32.37 1l7b n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1l7b n GLY 55 N 0.19 -0.44 0.04 0.55 0.00 -1.25 -4.80 105.19 99.47 1l7b n GLY 55 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.70 1l7b n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1l7b n SER 56 N -1.81 0.16 0.26 1.61 2.88 -1.24 -1.87 113.62 113.61 1l7b n SER 56 Ca 0.13 0.57 0.15 0.00 -1.33 0.00 0.00 58.87 58.39 1l7b n SER 56 Cb 0.50 -0.59 0.83 0.00 -0.75 0.00 0.00 64.21 64.19 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 -0.44 -1.46 2.10 -1.82 -2.73 116.57 112.22 1l7b h LYS 57 Ca 0.00 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.78 1l7b h LYS 57 Cb 0.05 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 1l7b h LYS 57 CO 0.00 0.00 0.90 1.25 -2.00 0.00 0.00 179.45 179.60 1l7b h LEU 58 N 0.00 0.00 0.00 7.07 5.85 -1.68 2.06 115.31 128.61 1l7b h LEU 58 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1l7b h LEU 58 Cb 0.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1l7b h LEU 58 CO 0.00 0.00 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.01 1l7b h GLU 59 N 0.00 0.00 0.03 1.25 4.81 -1.79 -2.68 114.58 116.20 1l7b h GLU 59 Ca 0.21 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.21 1l7b h GLU 59 Cb 2.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.39 1l7b h GLU 59 CO -0.00 0.05 -1.00 -0.22 -0.73 0.00 0.00 179.01 177.11 1l7b h LYS 60 N -1.00 0.30 -0.74 1.92 3.64 -1.21 -2.71 116.57 116.77 1l7b h LYS 60 Ca -0.00 -0.37 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1l7b h LYS 60 Cb 0.05 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1l7b h LYS 60 CO -0.00 1.09 0.24 0.00 -2.27 0.00 0.00 179.45 178.51 1l7b h ALA 61 N 0.78 0.97 -0.31 5.00 0.00 0.30 -1.49 119.26 124.51 1l7b h ALA 61 Ca -0.08 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1l7b h ALA 61 Cb 1.66 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1l7b h ALA 61 CO 0.16 0.65 -0.18 -0.09 0.00 0.00 0.00 179.25 179.79 1l7b h ARG 62 N 1.10 0.57 -3.48 0.00 2.43 -1.49 -3.46 114.38 110.04 1l7b h ARG 62 Ca 0.24 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1l7b h ARG 62 Cb 0.29 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1l7b h ARG 62 CO -0.01 0.72 -0.89 0.00 -1.51 0.00 0.00 179.97 178.28 1l7b n ALA 63 N -2.49 -1.86 -0.31 2.80 0.00 -0.56 -4.89 120.51 113.20 1l7b n ALA 63 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1l7b n ALA 63 Cb 0.37 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.19 1.30 0.00 0.00 -0.00 -1.26 -4.87 117.00 109.98 1l7b n LEU 64 Ca 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 56.01 54.71 1l7b n LEU 64 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1l7b n LEU 64 CO 0.00 0.33 0.00 0.61 -0.00 0.00 0.00 177.39 178.33 1l7b n GLY 65 N -0.30 0.41 3.81 1.47 0.00 -1.26 -5.14 105.19 104.17 1l7b n GLY 65 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 4.41 0.52 1.61 -7.23 -1.26 -5.05 120.40 113.39 1l7b s VAL 66 Ca 0.00 1.49 -0.17 0.00 -1.81 0.00 0.00 61.98 61.49 1l7b s VAL 66 Cb 0.00 -3.81 -0.07 0.00 0.56 0.00 0.00 36.38 33.06 1l7b s VAL 66 CO 0.00 -0.02 0.99 -2.16 -0.31 0.00 0.00 175.10 173.61 1l7b s PRO 67 N -2.47 3.89 -0.07 4.82 0.04 -1.26 -4.69 135.00 135.25 1l7b s PRO 67 Ca 0.52 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.58 1l7b s PRO 67 Cb -0.14 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1l7b s PRO 67 CO 0.19 -0.32 -0.16 0.95 0.04 0.00 0.00 177.00 177.70 1l7b s THR 68 N -2.59 1.38 -0.26 1.26 -4.23 -1.26 -4.01 115.64 105.92 1l7b s THR 68 Ca 0.60 -0.64 -0.10 0.00 -1.18 0.00 0.00 61.69 60.37 1l7b s THR 68 Cb -0.11 -1.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.47 1l7b s THR 68 CO 0.31 0.41 0.15 -0.22 -0.54 0.00 0.00 174.62 174.73 1l7b s LEU 69 N 0.45 3.93 0.29 4.79 2.96 -0.63 -4.82 118.68 125.64 1l7b s LEU 69 Ca -0.13 -0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.48 1l7b s LEU 69 Cb -0.15 -2.07 -0.12 0.00 0.50 0.00 0.00 46.19 44.35 1l7b s LEU 69 CO 0.04 0.00 1.44 0.41 -1.32 0.00 0.00 176.35 176.93 1l7b n THR 70 N 4.72 1.31 0.25 3.68 -1.04 -1.26 -2.32 114.28 119.61 1l7b n THR 70 Ca -0.15 -0.33 0.13 0.00 -2.04 0.00 0.00 64.05 61.67 1l7b n THR 70 Cb 0.52 -1.68 0.65 0.00 -1.82 0.00 0.00 70.33 68.00 1l7b n THR 70 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1l7b h GLU 71 N 3.88 0.00 -0.12 -2.82 4.22 -1.58 -2.98 114.58 115.18 1l7b h GLU 71 Ca -0.46 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.02 1l7b h GLU 71 Cb 1.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 1l7b h GLU 71 CO 0.73 0.13 -0.18 0.93 -2.18 0.00 0.00 179.01 178.44 1l7b h GLU 72 N 0.00 -0.22 -0.99 1.92 4.39 -1.89 0.28 114.58 118.07 1l7b h GLU 72 Ca -0.00 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.75 1l7b h GLU 72 Cb 0.50 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.14 1l7b h GLU 72 CO 0.02 -0.15 0.65 0.93 -1.16 0.00 0.00 179.01 179.30 1l7b h GLU 73 N -0.23 1.22 -0.32 2.33 4.39 -1.90 0.27 114.58 120.34 1l7b h GLU 73 Ca 0.10 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1l7b h GLU 73 Cb 0.37 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1l7b h GLU 73 CO -0.26 0.81 0.13 1.25 -1.16 0.00 0.00 179.01 179.78 1l7b h LEU 74 N 1.26 0.44 -1.25 1.33 5.85 -1.26 -2.20 115.31 119.48 1l7b h LEU 74 Ca 0.39 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 1l7b h LEU 74 Cb -0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1l7b h LEU 74 CO -0.12 0.48 -0.34 0.22 -0.34 0.00 0.00 178.44 178.33 1l7b h TYR 75 N 0.37 0.00 0.00 1.25 3.20 0.21 -2.60 116.97 119.40 1l7b h TYR 75 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1l7b h TYR 75 Cb 0.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1l7b h TYR 75 CO -0.01 0.34 0.00 -2.13 -1.64 0.00 0.00 178.16 174.73 1l7b n ARG 76 N -3.82 0.00 -0.09 1.82 0.63 0.88 -2.67 116.66 113.41 1l7b n ARG 76 Ca -0.01 0.22 0.26 0.00 -0.92 0.00 0.00 57.85 57.40 1l7b n ARG 76 Cb 0.42 -1.17 0.68 0.00 0.45 0.00 0.00 32.46 32.84 1l7b n ARG 76 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1l7b h LEU 77 N 0.00 0.00 0.00 6.15 3.38 -1.56 -0.04 115.31 123.24 1l7b h LEU 77 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1l7b h LEU 77 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1l7b h LEU 77 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.42 1l7b n LEU 78 N -3.73 0.00 -0.03 1.67 0.00 -0.98 0.58 117.00 114.51 1l7b n LEU 78 Ca 0.16 0.79 -0.09 0.00 0.00 0.00 0.00 56.01 56.87 1l7b n LEU 78 Cb 0.99 -0.29 -0.03 0.00 0.00 0.00 0.00 43.42 44.09 1l7b n LEU 78 CO 0.30 -0.29 0.87 -0.33 0.00 0.00 0.00 177.39 177.94 1l7b h GLU 79 N 0.00 0.07 0.00 1.96 5.08 -1.21 0.99 114.58 121.47 1l7b h GLU 79 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1l7b h GLU 79 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1l7b h GLU 79 CO 0.00 0.05 0.12 0.00 -1.00 0.00 0.00 179.01 178.18 1l7b n ALA 80 N -2.29 0.81 -0.04 3.43 0.00 -0.07 0.08 120.51 122.43 1l7b n ALA 80 Ca -0.03 0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 1l7b n ALA 80 Cb 0.09 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1l7b n ALA 80 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1l7b n ARG 81 N -1.72 1.01 -0.10 0.00 0.63 0.20 -4.63 116.66 112.05 1l7b n ARG 81 Ca -0.00 0.03 -0.12 0.00 -0.92 0.00 0.00 57.85 56.83 1l7b n ARG 81 Cb 0.14 -1.17 -0.04 0.00 0.45 0.00 0.00 32.46 31.83 1l7b n ARG 81 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1l7b h THR 82 N 0.00 1.30 0.00 5.15 1.35 0.17 -3.47 112.91 117.41 1l7b h THR 82 Ca -0.19 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 1l7b h THR 82 Cb 1.33 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1l7b h THR 82 CO -0.02 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1l7b n GLY 83 N 0.04 0.66 3.36 5.82 0.00 0.11 -5.03 105.19 110.15 1l7b n GLY 83 Ca -0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.85 1.15 0.34 1.61 2.20 -1.26 -5.08 119.74 117.85 1l7b s LYS 84 Ca 0.00 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 1l7b s LYS 84 Cb 0.00 0.52 -0.11 0.00 -1.51 0.00 0.00 37.83 36.73 1l7b s LYS 84 CO 0.00 -0.47 1.45 -1.59 -0.36 0.00 0.00 175.35 174.38 1l7b s LYS 85 N -3.70 4.19 0.60 4.03 -2.85 -1.25 -4.69 119.74 116.06 1l7b s LYS 85 Ca 0.02 2.46 0.29 0.00 -1.00 0.00 0.00 55.97 57.74 1l7b s LYS 85 Cb 0.01 -3.01 1.60 0.00 -2.06 0.00 0.00 37.83 34.36 1l7b s LYS 85 CO -0.12 -0.45 1.88 0.00 0.10 0.00 0.00 175.35 176.77 1l7b h ALA 86 N 3.52 1.24 0.03 0.59 0.00 -1.97 -0.77 119.26 121.91 1l7b h ALA 86 Ca -0.49 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1l7b h ALA 86 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1l7b h ALA 86 CO 0.68 -0.24 -0.19 0.93 0.00 0.00 0.00 179.25 180.42 1l7b h GLU 87 N 0.00 0.06 0.00 0.00 5.08 -2.04 -3.50 114.58 114.18 1l7b h GLU 87 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1l7b h GLU 87 Cb 0.52 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1l7b h GLU 87 CO 0.00 1.05 0.00 0.39 -1.00 0.00 0.00 179.01 179.45 1l7b n GLU 88 N -4.51 0.00 0.00 2.33 -0.58 -0.30 -5.05 120.64 112.53 1l7b n GLU 88 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1l7b n GLU 88 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 1l7b n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1l7b n LEU 89 N 0.00 0.00 0.00 -4.62 -0.00 -1.26 -3.88 117.00 107.23 1l7b n LEU 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1l7b n LEU 89 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1l7b n LEU 89 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 177.91 1l7b n VAL 90 N 0.00 0.00 -0.03 1.96 0.31 -1.26 -4.36 118.33 114.95 1l7b n VAL 90 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1l7b n VAL 90 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 1l7b n VAL 90 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1l7b h GLY 91 N 0.00 0.43 0.00 2.92 0.00 -2.00 -3.52 103.07 100.90 1l7b h GLY 91 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1l7b h GLY 91 CO 0.00 0.53 0.00 -1.14 0.00 0.00 0.00 176.54 175.93