#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 2.73 0.00 3.17 2.12 -1.26 -4.78 118.70 120.69 1l7b s GLU 2 Ca 0.00 0.29 0.17 0.00 0.36 0.00 0.00 54.97 55.79 1l7b s GLU 2 Cb 0.00 -4.48 0.70 0.00 0.26 0.00 0.00 34.13 30.61 1l7b s GLU 2 CO 0.00 -2.72 1.50 0.36 -0.54 0.00 0.00 175.26 173.86 1l7b n LYS 3 N 9.16 1.53 -1.34 4.30 2.85 -1.26 -4.86 118.16 128.55 1l7b n LYS 3 Ca 0.21 -0.81 0.00 0.00 -1.05 0.00 0.00 58.31 56.66 1l7b n LYS 3 Cb 0.51 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 1l7b n LYS 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1l7b n GLY 4 N 1.00 4.52 2.78 2.58 0.00 -1.26 -4.59 105.19 110.22 1l7b n GLY 4 Ca 0.14 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.83 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 5.00 -0.27 0.49 -0.02 0.00 -1.26 -4.64 105.19 104.49 1l7b n GLY 5 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.41 0.00 0.00 1.61 2.13 -1.26 -5.04 120.64 114.67 1l7b n GLU 6 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1l7b n GLU 6 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 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 -2.32 0.00 -0.13 4.31 0.00 -1.26 -2.46 120.51 118.65 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 0.27 -4.10 0.00 -0.00 -1.26 -4.94 117.00 106.97 1l7b n LEU 8 Ca 0.00 -0.48 -0.29 0.00 -0.00 0.00 0.00 56.01 55.25 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 0.07 -0.88 1.17 -0.00 0.00 0.00 177.39 177.75 1l7b n LYS 9 N -0.41 -1.17 0.00 1.47 4.81 -1.03 -3.81 118.16 118.02 1l7b n LYS 9 Ca 0.00 -0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.10 1l7b n LYS 9 Cb 0.03 -1.38 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 2.64 1.17 3.54 3.14 0.00 -1.26 -4.93 105.19 109.50 1l7b n GLY 10 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 2.06 0.12 0.99 1.02 -1.25 -5.06 118.68 116.57 1l7b s LEU 11 Ca 0.00 -1.64 0.08 0.00 0.02 0.00 0.00 54.13 52.59 1l7b s LEU 11 Cb 0.00 -0.23 -0.04 0.00 0.02 0.00 0.00 46.19 45.95 1l7b s LEU 11 CO 0.00 -0.89 -0.20 -0.89 0.02 0.00 0.00 176.35 174.40 1l7b s THR 12 N -3.17 1.74 -0.04 5.49 2.01 -1.26 -2.48 115.64 117.93 1l7b s THR 12 Ca 0.23 -1.68 0.05 0.00 0.31 0.00 0.00 61.69 60.60 1l7b s THR 12 Cb 0.03 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1l7b s THR 12 CO 0.13 -0.16 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.35 1l7b s PHE 13 N -1.49 1.88 0.16 4.92 0.08 0.14 -4.65 117.98 119.03 1l7b s PHE 13 Ca 0.10 -0.53 0.07 0.00 0.12 0.00 0.00 56.93 56.69 1l7b s PHE 13 Cb -0.08 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 1l7b s PHE 13 CO 0.05 -0.16 -0.15 0.08 -0.10 0.00 0.00 175.22 174.94 1l7b s VAL 14 N -0.06 1.57 -0.04 -0.44 1.01 0.66 -0.29 120.40 122.80 1l7b s VAL 14 Ca -0.03 -1.98 0.06 0.00 0.00 0.00 0.00 61.98 60.04 1l7b s VAL 14 Cb -0.12 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1l7b s VAL 14 CO 0.02 -0.49 -0.24 -0.63 0.00 0.00 0.00 175.10 173.76 1l7b s ILE 15 N -2.55 1.92 -1.66 2.22 -1.09 -1.02 -2.73 121.20 116.29 1l7b s ILE 15 Ca 0.16 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 1l7b s ILE 15 Cb -0.03 -1.61 0.00 0.00 -1.58 0.00 0.00 42.46 39.24 1l7b s ILE 15 CO 0.05 0.54 0.37 1.07 -1.23 0.00 0.00 174.94 175.74 1l7b n THR 16 N 2.82 0.00 -1.98 2.92 5.66 -1.26 -4.34 114.28 118.09 1l7b n THR 16 Ca -0.17 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.72 1l7b n THR 16 Cb 0.52 -0.95 -0.02 0.00 -1.55 0.00 0.00 70.33 68.33 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 -0.86 0.25 0.00 1.09 0.00 -1.26 -4.69 105.19 99.71 1l7b n GLY 17 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.21 0.00 0.30 1.61 2.13 -1.26 -4.99 120.64 116.22 1l7b n GLU 18 Ca -0.12 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.86 1l7b n GLU 18 Cb 0.54 0.00 0.83 0.00 0.27 0.00 0.00 31.44 33.07 1l7b n GLU 18 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1l7b h LEU 19 N 0.00 0.00 -0.25 4.31 3.38 -1.92 -2.83 115.31 118.01 1l7b h LEU 19 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1l7b h LEU 19 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1l7b h LEU 19 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1l7b n SER 20 N -3.05 -0.77 -3.47 -0.43 3.41 -1.26 -3.64 113.62 104.41 1l7b n SER 20 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.51 1l7b n SER 20 Cb 0.40 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1l7b n SER 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1l7b s ARG 21 N -2.59 1.91 0.00 4.33 1.70 -1.26 -4.94 118.95 118.10 1l7b s ARG 21 Ca 0.00 -1.33 0.00 0.00 -0.47 0.00 0.00 55.73 53.93 1l7b s ARG 21 Cb 0.00 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.94 1l7b s ARG 21 CO 0.00 -0.86 0.92 -0.35 -1.08 0.00 0.00 175.30 173.93 1l7b n PRO 22 N -0.48 0.55 0.16 3.89 -0.04 -1.26 -4.54 135.00 133.27 1l7b n PRO 22 Ca -0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1l7b n PRO 22 Cb 0.60 -1.23 0.09 0.00 -0.04 0.00 0.00 33.50 32.93 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 1.40 0.03 -0.07 0.54 -4.01 -1.26 0.23 116.66 113.53 1l7b n ARG 23 Ca 0.00 0.48 -0.16 0.00 -1.04 0.00 0.00 57.85 57.14 1l7b n ARG 23 Cb 0.27 -2.23 -0.13 0.00 -3.04 0.00 0.00 32.46 27.34 1l7b n ARG 23 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 1l7b h GLU 24 N 0.00 0.01 -0.09 2.89 4.39 -1.99 -2.35 114.58 117.44 1l7b h GLU 24 Ca 0.00 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1l7b h GLU 24 Cb 1.25 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.86 1l7b h GLU 24 CO 0.00 1.01 -0.20 1.49 -1.16 0.00 0.00 179.01 180.15 1l7b h GLU 25 N -0.97 -0.26 -0.58 2.33 4.57 -0.60 -0.50 114.58 118.56 1l7b h GLU 25 Ca -0.08 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1l7b h GLU 25 Cb 1.09 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.71 1l7b h GLU 25 CO -0.04 -0.17 0.31 -0.24 -1.18 0.00 0.00 179.01 177.68 1l7b h VAL 26 N -0.27 1.18 -0.96 0.32 3.04 -1.64 -1.76 116.25 116.15 1l7b h VAL 26 Ca 0.09 -0.47 0.19 0.00 -1.01 0.00 0.00 66.70 65.50 1l7b h VAL 26 Cb 0.40 0.41 -0.11 0.00 -2.01 0.00 0.00 31.29 29.98 1l7b h VAL 26 CO -0.25 0.20 0.55 0.50 -1.01 0.00 0.00 177.57 177.56 1l7b h LYS 27 N 0.81 0.66 -0.45 4.17 1.63 -0.53 1.44 116.57 124.30 1l7b h LYS 27 Ca 0.21 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.88 1l7b h LYS 27 Cb 0.04 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1l7b h LYS 27 CO -0.03 0.44 -0.08 0.00 -3.45 0.00 0.00 179.45 176.33 1l7b h ALA 28 N 1.64 1.01 -0.03 5.00 0.00 -0.86 0.22 119.26 126.23 1l7b h ALA 28 Ca 0.56 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1l7b h ALA 28 Cb 0.89 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1l7b h ALA 28 CO -0.40 0.60 -0.68 -0.07 0.00 0.00 0.00 179.25 178.70 1l7b h LEU 29 N 0.73 0.18 -0.01 0.00 4.07 0.33 -1.95 115.31 118.67 1l7b h LEU 29 Ca 0.13 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1l7b h LEU 29 Cb 0.56 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1l7b h LEU 29 CO 0.03 0.80 -0.01 -0.07 -1.08 0.00 0.00 178.44 178.12 1l7b h LEU 30 N 0.11 0.02 -0.62 1.67 3.38 0.23 -2.59 115.31 117.50 1l7b h LEU 30 Ca -0.01 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.42 1l7b h LEU 30 Cb 1.21 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1l7b h LEU 30 CO 0.10 0.58 0.38 -0.09 0.09 0.00 0.00 178.44 179.50 1l7b h ARG 31 N -0.54 0.74 -0.51 1.13 2.43 -0.61 0.22 114.38 117.25 1l7b h ARG 31 Ca 0.00 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.24 1l7b h ARG 31 Cb 0.57 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1l7b h ARG 31 CO 0.00 0.49 0.35 0.00 -1.51 0.00 0.00 179.97 179.30 1l7b h ARG 32 N 0.76 0.19 -0.35 0.20 3.08 -1.35 0.14 114.38 117.05 1l7b h ARG 32 Ca 0.25 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1l7b h ARG 32 Cb 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1l7b h ARG 32 CO -0.10 0.13 0.00 -0.11 -1.07 0.00 0.00 179.97 178.82 1l7b n LEU 33 N -4.44 0.35 0.00 3.04 7.94 0.07 -4.85 117.00 119.10 1l7b n LEU 33 Ca 0.08 -0.18 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 1l7b n LEU 33 Cb 0.44 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.21 1l7b n LEU 33 CO 0.35 0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.33 1l7b n GLY 34 N 0.18 1.83 3.55 -3.96 0.00 0.48 -4.31 105.19 102.96 1l7b n GLY 34 Ca 0.00 -0.18 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.77 -1.48 4.61 0.00 -1.26 -4.86 120.51 116.74 1l7b n ALA 35 Ca 0.00 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 1l7b n ALA 35 Cb 0.00 -1.93 0.05 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.48 2.79 0.07 0.00 1.02 -1.03 -4.04 119.74 117.06 1l7b s LYS 36 Ca 0.60 1.19 0.04 0.00 0.02 0.00 0.00 55.97 57.82 1l7b s LYS 36 Cb -0.73 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 1l7b s LYS 36 CO 0.59 -1.24 -0.12 0.14 -0.92 0.00 0.00 175.35 173.81 1l7b s VAL 37 N -2.68 0.92 0.00 3.17 -7.23 -1.26 -0.69 120.40 112.63 1l7b s VAL 37 Ca 0.63 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1l7b s VAL 37 Cb -0.17 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.78 1l7b s VAL 37 CO 0.48 -0.33 0.00 0.35 -0.31 0.00 0.00 175.10 175.29 1l7b n THR 38 N 1.21 0.00 -1.26 5.32 -2.24 0.60 -4.90 114.28 113.01 1l7b n THR 38 Ca -0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1l7b n THR 38 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.00 0.00 -4.22 3.42 5.75 -1.26 -2.44 116.55 116.79 1l7b n ASP 39 Ca 0.00 -0.93 -0.14 0.00 -0.01 0.00 0.00 54.79 53.70 1l7b n ASP 39 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1l7b n ASP 39 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1l7b s SER 40 N 0.00 1.68 0.03 -1.12 0.15 -1.26 -4.17 113.70 109.01 1l7b s SER 40 Ca 0.00 -0.93 0.04 0.00 0.70 0.00 0.00 55.95 55.76 1l7b s SER 40 Cb 0.00 -0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1l7b s SER 40 CO 0.00 -0.29 -0.12 0.68 1.20 0.00 0.00 173.24 174.70 1l7b s VAL 41 N -2.93 0.96 0.00 4.45 -7.23 -1.26 -4.86 120.40 109.53 1l7b s VAL 41 Ca 0.12 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1l7b s VAL 41 Cb 0.00 -0.88 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1l7b s VAL 41 CO 0.00 -0.01 0.00 -1.20 -0.31 0.00 0.00 175.10 173.58 1l7b n SER 42 N 2.02 0.00 0.00 4.85 7.64 -1.20 -5.02 113.62 121.91 1l7b n SER 42 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1l7b n SER 42 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1l7b n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1l7b n ARG 43 N -0.66 0.00 0.00 1.43 1.74 -1.26 -4.91 116.66 112.99 1l7b n ARG 43 Ca 0.00 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.13 1l7b n ARG 43 Cb 0.00 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 31.65 1l7b n ARG 43 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1l7b n LYS 44 N -1.49 0.04 -3.94 5.56 4.76 -1.26 -4.35 118.16 117.48 1l7b n LYS 44 Ca 0.00 0.30 -0.30 0.00 -2.87 0.00 0.00 58.31 55.45 1l7b n LYS 44 Cb 0.00 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.53 1l7b n LYS 44 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1l7b s THR 45 N -2.89 1.41 -0.44 -0.18 -4.23 -1.26 -5.01 115.64 103.04 1l7b s THR 45 Ca 0.06 -0.92 0.08 0.00 -1.18 0.00 0.00 61.69 59.72 1l7b s THR 45 Cb 0.06 -1.58 0.29 0.00 1.34 0.00 0.00 72.50 72.61 1l7b s THR 45 CO 0.16 0.08 0.84 -1.20 -0.54 0.00 0.00 174.62 173.97 1l7b n SER 46 N 4.75 -1.33 -3.72 3.99 7.64 -1.26 -3.25 113.62 120.44 1l7b n SER 46 Ca -0.13 -3.23 -0.13 0.00 1.01 0.00 0.00 58.87 56.38 1l7b n SER 46 Cb 0.46 0.84 -0.14 0.00 -1.01 0.00 0.00 64.21 64.36 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 -0.46 -0.25 -0.15 1.43 2.02 -1.26 -4.30 117.35 114.38 1l7b s TYR 47 Ca 0.31 0.66 0.02 0.00 -0.37 0.00 0.00 57.07 57.69 1l7b s TYR 47 Cb 0.26 -0.05 0.01 0.00 -0.40 0.00 0.00 41.96 41.78 1l7b s TYR 47 CO -0.13 -0.22 -0.21 -1.17 -1.57 0.00 0.00 175.55 172.25 1l7b s LEU 48 N 1.42 2.09 -0.85 -1.29 1.98 -1.26 -0.25 118.68 120.53 1l7b s LEU 48 Ca -0.07 -0.60 -0.25 0.00 -2.89 0.00 0.00 54.13 50.31 1l7b s LEU 48 Cb -0.11 -1.43 0.01 0.00 0.66 0.00 0.00 46.19 45.32 1l7b s LEU 48 CO -0.07 0.06 1.55 0.68 -1.89 0.00 0.00 176.35 176.68 1l7b s VAL 49 N 0.93 3.68 -0.73 1.68 -7.23 -1.11 -1.88 120.40 115.75 1l7b s VAL 49 Ca -0.04 -0.17 -0.26 0.00 -1.81 0.00 0.00 61.98 59.70 1l7b s VAL 49 Cb -0.15 -4.65 -0.08 0.00 0.56 0.00 0.00 36.38 32.06 1l7b s VAL 49 CO -0.04 -1.57 2.20 -0.69 -0.31 0.00 0.00 175.10 174.69 1l7b s VAL 50 N 6.79 3.18 0.00 1.32 1.01 -1.01 -4.57 120.40 127.12 1l7b s VAL 50 Ca 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1l7b s VAL 50 Cb -0.06 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1l7b s VAL 50 CO 0.04 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1l7b n GLY 51 N 6.49 -0.46 0.00 4.51 0.00 -1.26 -2.92 105.19 111.54 1l7b n GLY 51 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.35 -0.01 -0.00 1.61 4.07 -1.26 -5.02 120.64 117.68 1l7b n GLU 52 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 1l7b n GLU 52 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 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 -1.34 0.21 -0.95 4.31 3.02 -1.26 -4.70 115.26 114.55 1l7b n ASN 53 Ca 0.00 0.03 0.06 0.00 -0.03 0.00 0.00 54.58 54.65 1l7b n ASN 53 Cb 0.00 -0.08 0.21 0.00 -0.61 0.00 0.00 39.78 39.30 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 -3.12 2.37 -0.68 3.52 -0.04 -1.26 -4.94 135.00 130.84 1l7b n PRO 54 Ca -0.03 -1.67 -0.32 0.00 -0.04 0.00 0.00 63.50 61.44 1l7b n PRO 54 Cb 0.48 -1.51 0.17 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.99 -1.67 0.00 0.55 0.00 -1.24 -4.84 105.19 98.98 1l7b n GLY 55 Ca 0.15 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.81 0.00 0.30 1.61 2.88 -1.07 -3.28 113.62 111.26 1l7b n SER 56 Ca 0.06 0.03 0.16 0.00 -1.33 0.00 0.00 58.87 57.79 1l7b n SER 56 Cb 0.55 -0.31 0.86 0.00 -0.75 0.00 0.00 64.21 64.55 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 -0.61 -1.46 -0.00 -1.84 -2.38 116.57 110.28 1l7b h LYS 57 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 60.65 60.83 1l7b h LYS 57 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.45 1l7b h LYS 57 CO 0.00 0.00 0.89 -0.07 -0.00 0.00 0.00 179.45 180.27 1l7b h LEU 58 N 0.00 0.00 0.43 7.07 4.07 -1.91 1.80 115.31 126.76 1l7b h LEU 58 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1l7b h LEU 58 Cb 0.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1l7b h LEU 58 CO 0.00 0.00 -0.21 -0.33 -1.08 0.00 0.00 178.44 176.82 1l7b h GLU 59 N 0.00 -0.55 0.03 1.13 4.39 -1.76 -1.80 114.58 116.02 1l7b h GLU 59 Ca 0.29 0.04 -0.25 0.00 0.34 0.00 0.00 59.36 59.78 1l7b h GLU 59 Cb 2.07 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 30.81 1l7b h GLU 59 CO -0.00 -0.37 -1.26 -0.22 -1.16 0.00 0.00 179.01 176.00 1l7b h LYS 60 N -1.08 0.06 -0.74 2.33 3.64 -1.28 -2.77 116.57 116.73 1l7b h LYS 60 Ca -0.06 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 1l7b h LYS 60 Cb 0.44 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1l7b h LYS 60 CO 0.10 0.92 0.24 0.00 -2.27 0.00 0.00 179.45 178.44 1l7b h ALA 61 N 0.89 1.03 -0.17 5.00 0.00 0.25 -1.82 119.26 124.44 1l7b h ALA 61 Ca -0.12 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1l7b h ALA 61 Cb 1.88 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1l7b h ALA 61 CO 0.13 0.66 -0.57 -0.09 0.00 0.00 0.00 179.25 179.38 1l7b h ARG 62 N 1.09 0.54 -3.25 0.00 2.43 -1.40 -3.46 114.38 110.34 1l7b h ARG 62 Ca 0.24 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1l7b h ARG 62 Cb 0.29 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1l7b h ARG 62 CO -0.01 0.96 -0.84 0.00 -1.51 0.00 0.00 179.97 178.57 1l7b n ALA 63 N -2.52 -1.77 -0.30 2.80 0.00 -0.68 -4.88 120.51 113.16 1l7b n ALA 63 Ca -0.03 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1l7b n ALA 63 Cb 0.61 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.44 1.22 0.00 0.00 -0.00 -1.26 -4.87 117.00 109.65 1l7b n LEU 64 Ca 0.00 -1.22 0.00 0.00 -0.00 0.00 0.00 56.01 54.79 1l7b n LEU 64 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1l7b n LEU 64 CO 0.00 0.30 0.00 0.61 -0.00 0.00 0.00 177.39 178.30 1l7b n GLY 65 N -0.26 0.37 3.83 1.47 0.00 -1.26 -5.14 105.19 104.20 1l7b n GLY 65 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 4.23 0.23 1.61 -7.23 -1.26 -5.05 120.40 112.93 1l7b s VAL 66 Ca 0.00 0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 60.81 1l7b s VAL 66 Cb 0.00 -3.55 -0.07 0.00 0.56 0.00 0.00 36.38 33.32 1l7b s VAL 66 CO 0.00 -0.92 0.58 -2.16 -0.31 0.00 0.00 175.10 172.28 1l7b s PRO 67 N -5.01 3.86 0.00 4.82 0.04 -1.26 -4.76 135.00 132.70 1l7b s PRO 67 Ca 0.57 0.37 0.06 0.00 0.04 0.00 0.00 61.00 62.04 1l7b s PRO 67 Cb -0.13 -2.67 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 1l7b s PRO 67 CO 0.53 0.32 -0.18 0.95 0.04 0.00 0.00 177.00 178.66 1l7b s THR 68 N -1.78 1.44 -0.24 1.26 -4.23 -1.26 -4.12 115.64 106.71 1l7b s THR 68 Ca 0.47 -0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 60.07 1l7b s THR 68 Cb -0.12 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.51 1l7b s THR 68 CO 0.20 0.33 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.38 1l7b s LEU 69 N -0.62 3.19 0.25 4.79 0.20 -0.79 -4.80 118.68 120.89 1l7b s LEU 69 Ca 0.07 -0.53 -0.31 0.00 0.69 0.00 0.00 54.13 54.04 1l7b s LEU 69 Cb -0.07 -1.77 -0.13 0.00 -0.43 0.00 0.00 46.19 43.79 1l7b s LEU 69 CO -0.00 -0.08 1.44 0.41 -0.29 0.00 0.00 176.35 177.83 1l7b n THR 70 N 4.80 0.94 0.21 3.68 -1.04 -1.26 -2.39 114.28 119.21 1l7b n THR 70 Ca -0.17 -0.24 0.10 0.00 -2.04 0.00 0.00 64.05 61.70 1l7b n THR 70 Cb 0.50 -1.55 0.26 0.00 -1.82 0.00 0.00 70.33 67.72 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 4.33 0.00 0.26 -2.82 4.22 -1.77 -3.29 114.58 115.50 1l7b h GLU 71 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1l7b h GLU 71 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1l7b h GLU 71 CO 0.76 0.18 -0.24 0.93 -2.18 0.00 0.00 179.01 178.46 1l7b h GLU 72 N 0.00 -0.51 -0.68 1.92 4.39 -1.89 0.28 114.58 118.10 1l7b h GLU 72 Ca -0.00 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.83 1l7b h GLU 72 Cb 0.98 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.71 1l7b h GLU 72 CO 0.02 -0.34 0.45 1.49 -1.16 0.00 0.00 179.01 179.47 1l7b h GLU 73 N -0.53 0.52 -0.58 2.33 4.81 -1.96 -0.09 114.58 119.08 1l7b h GLU 73 Ca -0.01 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1l7b h GLU 73 Cb 0.49 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1l7b h GLU 73 CO -0.05 0.34 -0.01 1.25 -0.73 0.00 0.00 179.01 179.82 1l7b h LEU 74 N 0.53 1.01 -1.86 1.64 6.46 -1.35 -2.12 115.31 119.61 1l7b h LEU 74 Ca 0.31 -0.31 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1l7b h LEU 74 Cb 0.51 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1l7b h LEU 74 CO -0.10 1.07 -0.13 0.22 -0.62 0.00 0.00 178.44 178.88 1l7b h TYR 75 N 0.91 0.00 0.00 1.25 3.20 0.89 -1.62 116.97 121.61 1l7b h TYR 75 Ca 0.16 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1l7b h TYR 75 Cb 0.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1l7b h TYR 75 CO 0.04 0.13 0.00 -2.13 -1.64 0.00 0.00 178.16 174.56 1l7b n ARG 76 N -4.06 0.00 -0.34 1.82 3.00 -0.82 -2.66 116.66 113.59 1l7b n ARG 76 Ca -0.02 0.39 0.35 0.00 -0.00 0.00 0.00 57.85 58.57 1l7b n ARG 76 Cb 0.21 -1.20 0.73 0.00 0.00 0.00 0.00 32.46 32.20 1l7b n ARG 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1l7b h LEU 77 N 0.00 0.05 0.00 6.15 -0.00 -1.48 0.99 115.31 121.01 1l7b h LEU 77 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1l7b h LEU 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1l7b h LEU 77 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.33 1l7b n LEU 78 N -4.22 0.00 -0.25 1.67 7.94 -0.61 0.27 117.00 121.80 1l7b n LEU 78 Ca 0.26 0.75 0.05 0.00 -1.11 0.00 0.00 56.01 55.96 1l7b n LEU 78 Cb 1.25 -0.25 0.19 0.00 0.53 0.00 0.00 43.42 45.14 1l7b n LEU 78 CO 0.39 -0.25 1.00 -0.33 -1.11 0.00 0.00 177.39 177.09 1l7b h GLU 79 N 0.00 0.39 0.00 1.96 5.08 -1.21 1.12 114.58 121.92 1l7b h GLU 79 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1l7b h GLU 79 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1l7b h GLU 79 CO 0.00 0.26 0.00 0.00 -1.00 0.00 0.00 179.01 178.27 1l7b n ALA 80 N -2.54 1.15 -0.07 3.43 0.00 0.30 0.38 120.51 123.17 1l7b n ALA 80 Ca 0.14 0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.52 1l7b n ALA 80 Cb 0.43 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.74 0.31 -0.10 0.00 0.00 0.32 -4.62 116.66 110.82 1l7b n ARG 81 Ca 0.00 0.09 -0.14 0.00 -0.00 0.00 0.00 57.85 57.81 1l7b n ARG 81 Cb 0.05 -1.15 -0.04 0.00 0.00 0.00 0.00 32.46 31.32 1l7b n ARG 81 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 1l7b h THR 82 N -0.18 1.29 0.00 5.15 1.35 0.70 -3.47 112.91 117.75 1l7b h THR 82 Ca -0.31 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 1l7b h THR 82 Cb 1.39 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1l7b h THR 82 CO -0.10 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 1l7b n GLY 83 N 0.21 0.62 3.15 5.82 0.00 0.16 -5.04 105.19 110.11 1l7b n GLY 83 Ca -0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.86 0.71 -0.62 1.61 2.20 -1.25 -5.06 119.74 116.46 1l7b s LYS 84 Ca 0.00 -0.94 -0.26 0.00 -0.36 0.00 0.00 55.97 54.41 1l7b s LYS 84 Cb 0.00 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.58 1l7b s LYS 84 CO 0.00 -0.19 1.85 -1.59 -0.36 0.00 0.00 175.35 175.06 1l7b s LYS 85 N -3.44 2.63 0.51 4.03 -2.85 -1.26 -4.65 119.74 114.71 1l7b s LYS 85 Ca 0.02 0.58 0.19 0.00 -1.00 0.00 0.00 55.97 55.76 1l7b s LYS 85 Cb 0.04 -4.40 1.27 0.00 -2.06 0.00 0.00 37.83 32.68 1l7b s LYS 85 CO -0.08 -2.74 2.05 0.00 0.10 0.00 0.00 175.35 174.68 1l7b h ALA 86 N 14.83 2.21 -0.76 0.59 0.00 -1.96 -0.19 119.26 133.98 1l7b h ALA 86 Ca -0.25 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1l7b h ALA 86 Cb 1.16 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1l7b h ALA 86 CO 1.22 -0.30 0.50 0.93 0.00 0.00 0.00 179.25 181.60 1l7b h GLU 87 N 0.09 0.86 -0.14 0.00 3.07 -2.02 -3.45 114.58 113.00 1l7b h GLU 87 Ca 0.16 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.92 1l7b h GLU 87 Cb 0.52 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1l7b h GLU 87 CO -0.02 0.57 -0.05 0.39 -1.40 0.00 0.00 179.01 178.51 1l7b n GLU 88 N -4.46 -1.92 0.00 2.33 -0.58 -0.08 -4.64 120.64 111.27 1l7b n GLU 88 Ca 0.10 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 1l7b n GLU 88 Cb 0.15 -4.92 0.00 0.00 -0.57 0.00 0.00 31.44 26.10 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 -0.31 0.00 -4.04 -4.62 7.94 -1.26 -5.02 117.00 109.70 1l7b n LEU 89 Ca -0.03 -0.39 -0.29 0.00 -1.11 0.00 0.00 56.01 54.20 1l7b n LEU 89 Cb 0.49 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.42 1l7b n LEU 89 CO 0.04 0.00 -0.16 0.52 -1.11 0.00 0.00 177.39 176.68 1l7b n VAL 90 N -0.82 -2.38 -3.02 1.96 0.31 -1.26 -2.61 118.33 110.52 1l7b n VAL 90 Ca 0.00 -0.33 -0.02 0.00 -0.01 0.00 0.00 64.34 63.98 1l7b n VAL 90 Cb 0.00 -2.36 0.00 0.00 -0.91 0.00 0.00 33.84 30.57 1l7b n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1l7b n GLY 91 N -1.81 -1.26 3.18 2.92 0.00 -1.26 -5.22 105.19 101.74 1l7b n GLY 91 Ca -0.18 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1l7b n GLY 91 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76