#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 -3.67 -0.04 2.12 2.13 -1.26 -4.84 120.64 115.09 1l7b n GLU 2 Ca 0.00 2.88 0.08 0.00 0.66 0.00 0.00 57.16 60.78 1l7b n GLU 2 Cb 0.00 -4.64 0.37 0.00 0.27 0.00 0.00 31.44 27.44 1l7b n GLU 2 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1l7b n LYS 3 N 1.35 1.30 0.00 5.31 5.02 -1.26 -4.83 118.16 125.06 1l7b n LYS 3 Ca -0.20 -0.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.64 1l7b n LYS 3 Cb 0.34 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 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 0.87 2.67 0.27 0.72 0.00 -1.26 -5.10 105.19 103.36 1l7b n GLY 4 Ca 0.12 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.44 2.72 -0.02 0.00 -1.26 -4.93 105.19 101.26 1l7b n GLY 5 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.27 1.04 0.00 1.61 4.07 -1.26 -4.95 120.64 116.88 1l7b n GLU 6 Ca -0.14 -1.93 0.00 0.00 -0.06 0.00 0.00 57.16 55.03 1l7b n GLU 6 Cb 0.46 -0.91 0.00 0.00 -0.06 0.00 0.00 31.44 30.93 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 0.23 0.00 -2.42 4.31 0.00 -1.26 -2.67 120.51 118.71 1l7b n ALA 7 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1l7b n ALA 7 Cb 0.72 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.21 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 1.23 -4.96 0.00 -0.00 -1.26 -4.90 117.00 107.11 1l7b n LEU 8 Ca 0.00 -2.26 -0.27 0.00 -0.00 0.00 0.00 56.01 53.47 1l7b n LEU 8 Cb 0.00 -0.04 0.15 0.00 -0.00 0.00 0.00 43.42 43.54 1l7b n LEU 8 CO 0.00 0.63 0.73 -0.75 -0.00 0.00 0.00 177.39 178.00 1l7b s LYS 9 N -0.54 1.08 0.00 1.47 2.20 -1.09 -3.85 119.74 119.01 1l7b s LYS 9 Ca 0.34 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 1l7b s LYS 9 Cb 0.38 -2.06 0.00 0.00 -1.51 0.00 0.00 37.83 34.64 1l7b s LYS 9 CO -0.15 -2.00 0.00 0.41 -0.36 0.00 0.00 175.35 173.25 1l7b n GLY 10 N -3.36 2.21 3.69 5.54 0.00 -1.26 -4.58 105.19 107.43 1l7b n GLY 10 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 3.41 -0.19 0.99 1.43 -1.26 -4.98 118.68 118.09 1l7b s LEU 11 Ca 0.00 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.70 1l7b s LEU 11 Cb 0.00 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1l7b s LEU 11 CO 0.00 0.09 0.03 -0.89 0.23 0.00 0.00 176.35 175.81 1l7b s THR 12 N -1.72 4.41 -0.19 5.49 2.01 -1.26 -1.53 115.64 122.85 1l7b s THR 12 Ca 0.28 -0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 1l7b s THR 12 Cb -0.09 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 1l7b s THR 12 CO 0.19 0.45 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.17 1l7b s PHE 13 N 0.61 2.97 0.04 4.92 0.40 0.48 -4.58 117.98 122.82 1l7b s PHE 13 Ca 0.01 -0.66 0.07 0.00 -0.60 0.00 0.00 56.93 55.75 1l7b s PHE 13 Cb -0.13 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.33 1l7b s PHE 13 CO 0.02 -0.33 -0.18 0.08 0.70 0.00 0.00 175.22 175.51 1l7b s VAL 14 N 1.00 2.82 -0.18 -0.44 1.01 0.14 -1.29 120.40 123.46 1l7b s VAL 14 Ca 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 1l7b s VAL 14 Cb -0.15 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1l7b s VAL 14 CO 0.01 0.34 -0.11 -0.63 0.00 0.00 0.00 175.10 174.71 1l7b s ILE 15 N -0.92 2.89 -0.87 2.22 1.09 -0.43 -1.86 121.20 123.32 1l7b s ILE 15 Ca 0.15 -0.67 -0.25 0.00 -1.10 0.00 0.00 60.65 58.77 1l7b s ILE 15 Cb -0.11 -2.26 -0.11 0.00 -1.06 0.00 0.00 42.46 38.92 1l7b s ILE 15 CO 0.05 0.48 2.21 -0.89 -0.10 0.00 0.00 174.94 176.70 1l7b s THR 16 N 1.12 3.18 0.00 2.92 2.01 -1.26 -4.33 115.64 119.28 1l7b s THR 16 Ca 0.01 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1l7b s THR 16 Cb -0.14 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1l7b s THR 16 CO -0.03 -0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.13 1l7b n GLY 17 N 6.74 0.23 3.15 4.40 0.00 -1.25 -3.83 105.19 114.62 1l7b n GLY 17 Ca 0.44 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.68 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 0.53 1.34 1.61 -1.05 -1.26 -5.05 118.70 114.83 1l7b s GLU 18 Ca 0.00 0.61 -0.22 0.00 -0.15 0.00 0.00 54.97 55.21 1l7b s GLU 18 Cb 0.00 0.30 0.34 0.00 -0.44 0.00 0.00 34.13 34.33 1l7b s GLU 18 CO 0.00 -0.91 0.77 1.28 0.95 0.00 0.00 175.26 177.34 1l7b n LEU 19 N 5.41 0.00 0.00 1.83 4.77 -1.25 -4.41 117.00 123.35 1l7b n LEU 19 Ca 0.04 -0.77 0.06 0.00 -0.03 0.00 0.00 56.01 55.31 1l7b n LEU 19 Cb 0.54 -0.92 0.30 0.00 -2.33 0.00 0.00 43.42 41.01 1l7b n LEU 19 CO -0.05 -2.74 0.68 -0.24 -1.33 0.00 0.00 177.39 173.72 1l7b n SER 20 N -5.03 0.00 -5.00 -1.43 2.88 -1.26 -4.72 113.62 99.06 1l7b n SER 20 Ca 0.12 0.28 -0.17 0.00 -1.33 0.00 0.00 58.87 57.77 1l7b n SER 20 Cb 0.53 -0.38 0.01 0.00 -0.75 0.00 0.00 64.21 63.62 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 -2.77 2.78 -0.89 -1.46 0.52 -1.26 -4.81 118.95 111.06 1l7b s ARG 21 Ca 0.10 -1.28 -0.10 0.00 -0.52 0.00 0.00 55.73 53.93 1l7b s ARG 21 Cb 0.09 -2.72 -0.07 0.00 0.52 0.00 0.00 34.95 32.76 1l7b s ARG 21 CO 0.22 -0.29 2.07 -0.35 0.02 0.00 0.00 175.30 176.96 1l7b n PRO 22 N -1.84 1.96 0.26 3.54 -0.04 -1.26 -4.71 135.00 132.91 1l7b n PRO 22 Ca 0.08 -1.57 0.02 0.00 -0.04 0.00 0.00 63.50 61.99 1l7b n PRO 22 Cb 0.59 -2.58 0.12 0.00 -0.04 0.00 0.00 33.50 31.60 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 6.68 0.00 0.00 0.54 -0.00 -1.93 0.26 114.38 119.93 1l7b h ARG 23 Ca 0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.44 1l7b h ARG 23 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.26 1l7b h ARG 23 CO 1.58 0.00 -0.12 1.49 -0.00 0.00 0.00 179.97 182.91 1l7b h GLU 24 N 0.00 0.00 0.30 0.08 4.57 -1.98 -2.69 114.58 114.86 1l7b h GLU 24 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1l7b h GLU 24 Cb 1.57 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.15 1l7b h GLU 24 CO 0.00 0.49 -0.21 0.93 -1.18 0.00 0.00 179.01 179.04 1l7b h GLU 25 N -1.00 -0.49 -0.65 1.92 4.39 -0.91 -2.23 114.58 115.60 1l7b h GLU 25 Ca -0.02 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.72 1l7b h GLU 25 Cb 0.55 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 1l7b h GLU 25 CO -0.01 -0.33 0.43 -0.24 -1.16 0.00 0.00 179.01 177.70 1l7b h VAL 26 N -0.51 1.17 -0.10 3.13 3.04 -1.51 -1.72 116.25 119.74 1l7b h VAL 26 Ca -0.02 -0.31 -0.05 0.00 -1.01 0.00 0.00 66.70 65.31 1l7b h VAL 26 Cb 0.44 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 1l7b h VAL 26 CO 0.01 0.16 -0.16 0.11 -1.01 0.00 0.00 177.57 176.68 1l7b h LYS 27 N 0.89 0.16 -0.13 4.17 1.79 -1.11 1.24 116.57 123.57 1l7b h LYS 27 Ca 0.24 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.54 1l7b h LYS 27 Cb -0.10 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1l7b h LYS 27 CO -0.05 0.32 -0.49 0.00 -1.08 0.00 0.00 179.45 178.15 1l7b h ALA 28 N 1.70 0.92 0.00 3.86 0.00 -0.73 0.11 119.26 125.12 1l7b h ALA 28 Ca 0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1l7b h ALA 28 Cb 0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1l7b h ALA 28 CO 0.02 0.66 -1.15 1.25 0.00 0.00 0.00 179.25 180.03 1l7b h LEU 29 N 0.27 0.00 0.02 0.00 5.85 -1.10 -3.13 115.31 117.23 1l7b h LEU 29 Ca 0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1l7b h LEU 29 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1l7b h LEU 29 CO 0.08 0.33 -0.15 0.25 -0.34 0.00 0.00 178.44 178.61 1l7b h LEU 30 N 0.00 0.09 -0.51 2.25 7.12 0.17 -3.16 115.31 121.27 1l7b h LEU 30 Ca -0.08 -0.96 -0.02 0.00 0.13 0.00 0.00 57.88 56.95 1l7b h LEU 30 Cb 1.33 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 41.40 1l7b h LEU 30 CO 0.03 1.05 0.26 -0.09 -0.13 0.00 0.00 178.44 179.55 1l7b h ARG 31 N -0.84 0.72 -0.70 1.25 2.43 -0.94 0.65 114.38 116.94 1l7b h ARG 31 Ca -0.03 -0.10 0.20 0.00 -0.81 0.00 0.00 59.98 59.25 1l7b h ARG 31 Cb 1.09 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1l7b h ARG 31 CO 0.03 0.59 0.64 0.00 -1.51 0.00 0.00 179.97 179.71 1l7b h ARG 32 N 0.68 0.00 -1.00 0.20 3.08 -1.65 1.01 114.38 116.70 1l7b h ARG 32 Ca 0.18 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.85 1l7b h ARG 32 Cb 0.09 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.92 1l7b h ARG 32 CO -0.02 0.00 0.48 -0.11 -1.07 0.00 0.00 179.97 179.24 1l7b n LEU 33 N -3.85 5.74 0.00 3.04 7.94 0.22 -5.00 117.00 125.09 1l7b n LEU 33 Ca 0.14 -3.04 0.00 0.00 -1.11 0.00 0.00 56.01 52.00 1l7b n LEU 33 Cb 0.89 -0.75 0.00 0.00 0.53 0.00 0.00 43.42 44.09 1l7b n LEU 33 CO 0.31 0.90 0.00 0.61 -1.11 0.00 0.00 177.39 178.10 1l7b n GLY 34 N -0.70 2.27 2.03 -3.96 0.00 0.35 -4.25 105.19 100.93 1l7b n GLY 34 Ca 0.44 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 9.02 -1.27 -1.52 4.61 0.00 -1.25 -4.20 120.51 125.90 1l7b n ALA 35 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1l7b n ALA 35 Cb 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 19.45 19.15 1l7b n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1l7b n LYS 36 N 1.54 0.86 -4.47 0.00 5.02 -0.58 -4.49 118.16 116.03 1l7b n LYS 36 Ca 0.00 0.31 -0.30 0.00 -2.02 0.00 0.00 58.31 56.30 1l7b n LYS 36 Cb 0.14 -1.76 -0.12 0.00 -0.02 0.00 0.00 35.03 33.26 1l7b n LYS 36 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1l7b s VAL 37 N -1.43 2.78 0.26 -0.18 -7.23 -1.26 -0.39 120.40 112.95 1l7b s VAL 37 Ca 0.65 -1.38 -0.09 0.00 -1.81 0.00 0.00 61.98 59.35 1l7b s VAL 37 Cb -0.56 -2.22 0.04 0.00 0.56 0.00 0.00 36.38 34.20 1l7b s VAL 37 CO 0.56 0.21 0.51 0.41 -0.31 0.00 0.00 175.10 176.48 1l7b n THR 38 N 1.14 0.00 -1.46 5.32 -1.04 -0.41 -4.92 114.28 112.91 1l7b n THR 38 Ca -0.16 -0.73 0.00 0.00 -2.04 0.00 0.00 64.05 61.12 1l7b n THR 38 Cb 0.52 0.68 0.00 0.00 -1.82 0.00 0.00 70.33 69.71 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 -1.40 0.00 -4.37 8.00 5.75 -1.26 -1.31 116.55 121.96 1l7b n ASP 39 Ca -0.05 -1.00 -0.18 0.00 -0.01 0.00 0.00 54.79 53.54 1l7b n ASP 39 Cb 0.40 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.39 1l7b n ASP 39 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1l7b s SER 40 N 0.00 1.72 0.03 -1.12 0.01 -1.26 -3.95 113.70 109.13 1l7b s SER 40 Ca 0.00 -1.36 0.02 0.00 1.31 0.00 0.00 55.95 55.91 1l7b s SER 40 Cb 0.00 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 1l7b s SER 40 CO 0.00 -0.66 -0.06 0.68 0.41 0.00 0.00 173.24 173.61 1l7b s VAL 41 N -3.54 0.41 0.00 3.43 -7.23 -1.26 -4.84 120.40 107.37 1l7b s VAL 41 Ca 0.36 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 1l7b s VAL 41 Cb 0.08 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.56 1l7b s VAL 41 CO 0.14 -0.26 0.00 -1.20 -0.31 0.00 0.00 175.10 173.47 1l7b n SER 42 N 1.93 0.00 0.00 4.85 7.64 -1.23 -5.03 113.62 121.79 1l7b n SER 42 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1l7b n SER 42 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 -1.50 0.00 0.00 1.43 0.63 -1.26 -4.91 116.66 111.05 1l7b n ARG 43 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 1l7b n ARG 43 Cb 0.00 0.00 0.57 0.00 0.45 0.00 0.00 32.46 33.48 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 -1.76 0.58 -3.85 -0.14 2.85 -1.26 -4.38 118.16 110.20 1l7b n LYS 44 Ca 0.00 0.01 -0.30 0.00 -1.05 0.00 0.00 58.31 56.97 1l7b n LYS 44 Cb 0.00 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 32.73 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 -2.05 1.26 -0.44 0.58 2.01 -1.26 -5.00 115.64 110.74 1l7b s THR 45 Ca 0.28 -1.37 0.08 0.00 0.31 0.00 0.00 61.69 60.99 1l7b s THR 45 Cb 0.13 -1.78 0.28 0.00 0.01 0.00 0.00 72.50 71.15 1l7b s THR 45 CO 0.23 -0.40 0.82 -1.20 -0.69 0.00 0.00 174.62 173.38 1l7b n SER 46 N 4.72 -1.30 -3.67 3.53 7.64 -1.26 -3.49 113.62 119.79 1l7b n SER 46 Ca -0.05 -3.19 -0.12 0.00 1.01 0.00 0.00 58.87 56.51 1l7b n SER 46 Cb 0.43 0.78 -0.12 0.00 -1.01 0.00 0.00 64.21 64.29 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 -0.50 -0.10 1.43 2.02 -1.25 -3.85 117.35 114.65 1l7b s TYR 47 Ca 0.32 1.09 0.02 0.00 -0.37 0.00 0.00 57.07 58.13 1l7b s TYR 47 Cb 0.25 0.06 -0.01 0.00 -0.40 0.00 0.00 41.96 41.85 1l7b s TYR 47 CO -0.14 -0.37 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.13 1l7b s LEU 48 N 2.31 2.50 -0.25 -1.29 0.20 -1.25 0.25 118.68 121.14 1l7b s LEU 48 Ca -0.01 -0.37 -0.22 0.00 0.69 0.00 0.00 54.13 54.22 1l7b s LEU 48 Cb -0.12 -1.52 -0.01 0.00 -0.43 0.00 0.00 46.19 44.11 1l7b s LEU 48 CO -0.10 0.22 0.70 0.54 -0.29 0.00 0.00 176.35 177.42 1l7b s VAL 49 N 0.04 4.93 1.04 1.68 0.11 -0.78 -1.61 120.40 125.81 1l7b s VAL 49 Ca -0.07 1.28 -0.16 0.00 -2.93 0.00 0.00 61.98 60.10 1l7b s VAL 49 Cb -0.15 -4.00 0.08 0.00 -1.53 0.00 0.00 36.38 30.78 1l7b s VAL 49 CO 0.05 -0.02 0.22 0.52 -3.33 0.00 0.00 175.10 172.54 1l7b n VAL 50 N 5.23 0.00 0.09 2.04 0.31 -1.09 -4.80 118.33 120.11 1l7b n VAL 50 Ca 0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1l7b n VAL 50 Cb 0.48 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 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 1.75 -0.19 0.00 2.92 0.00 -1.26 -4.41 105.19 103.99 1l7b n GLY 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.30 0.00 0.05 1.61 0.00 -1.26 -4.57 120.64 113.17 1l7b n GLU 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1l7b n GLU 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1l7b n GLU 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1l7b n ASN 53 N 0.00 0.76 -0.87 4.31 3.02 -1.26 -4.77 115.26 116.44 1l7b n ASN 53 Ca 0.00 0.16 -0.01 0.00 -0.03 0.00 0.00 54.58 54.70 1l7b n ASN 53 Cb 0.00 -0.19 0.05 0.00 -0.61 0.00 0.00 39.78 39.03 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 -3.32 1.45 -1.49 3.52 -0.04 -1.26 -4.84 135.00 129.02 1l7b n PRO 54 Ca 0.00 -0.47 -0.29 0.00 -0.04 0.00 0.00 63.50 62.70 1l7b n PRO 54 Cb 0.00 -1.47 0.11 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.15 1.60 0.00 0.55 0.00 -1.26 -4.79 107.32 103.57 1l7b s GLY 55 Ca 0.08 -0.30 0.14 0.00 0.00 0.00 0.00 44.72 44.65 1l7b s GLY 55 CO 0.02 0.19 1.37 -1.26 0.00 0.00 0.00 173.10 173.42 1l7b n SER 56 N -3.62 0.00 0.28 1.64 2.88 -1.26 -2.90 113.62 110.63 1l7b n SER 56 Ca 0.07 0.09 0.18 0.00 -1.33 0.00 0.00 58.87 57.88 1l7b n SER 56 Cb 0.57 -0.29 0.92 0.00 -0.75 0.00 0.00 64.21 64.66 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 -0.76 -1.46 2.10 -1.89 -2.39 116.57 112.17 1l7b h LYS 57 Ca 0.00 0.00 0.22 0.00 -2.00 0.00 0.00 60.65 58.87 1l7b h LYS 57 Cb 0.13 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.43 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 -1.85 1.55 115.31 127.93 1l7b h LEU 58 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1l7b h LEU 58 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 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 -0.06 1.25 4.22 -1.75 -2.67 114.58 115.58 1l7b h GLU 59 Ca 0.36 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.60 1l7b h GLU 59 Cb 2.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.40 1l7b h GLU 59 CO -0.00 0.00 -0.80 -0.22 -2.18 0.00 0.00 179.01 175.81 1l7b h LYS 60 N -0.55 0.42 -0.61 1.92 3.64 -1.61 -2.85 116.57 116.93 1l7b h LYS 60 Ca 0.00 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 58.95 1l7b h LYS 60 Cb 0.01 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1l7b h LYS 60 CO 0.00 1.03 0.17 0.00 -2.27 0.00 0.00 179.45 178.38 1l7b h ALA 61 N 0.86 0.80 -0.82 5.00 0.00 0.20 -1.46 119.26 123.84 1l7b h ALA 61 Ca -0.05 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1l7b h ALA 61 Cb 1.40 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1l7b h ALA 61 CO 0.14 0.49 0.54 -0.09 0.00 0.00 0.00 179.25 180.33 1l7b h ARG 62 N 0.88 1.03 -6.10 0.00 2.43 -1.45 -3.46 114.38 107.70 1l7b h ARG 62 Ca 0.19 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1l7b h ARG 62 Cb 0.32 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1l7b h ARG 62 CO -0.00 0.68 -0.58 0.00 -1.51 0.00 0.00 179.97 178.55 1l7b n ALA 63 N -2.41 -1.76 0.89 2.80 0.00 -0.55 -4.74 120.51 114.74 1l7b n ALA 63 Ca 0.10 0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 1l7b n ALA 63 Cb 0.08 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 18.69 1l7b n ALA 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1l7b n LEU 64 N 1.86 2.44 0.00 0.00 7.94 -1.26 -4.33 117.00 123.65 1l7b n LEU 64 Ca -0.03 -1.23 0.00 0.00 -1.11 0.00 0.00 56.01 53.64 1l7b n LEU 64 Cb 0.25 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 43.69 1l7b n LEU 64 CO 0.06 0.43 0.00 0.61 -1.11 0.00 0.00 177.39 177.37 1l7b n GLY 65 N 0.26 1.11 3.82 -3.96 0.00 -1.26 -5.14 105.19 100.02 1l7b n GLY 65 Ca 0.03 -0.07 -0.31 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 3.99 0.07 1.61 -7.23 -1.26 -5.03 120.40 112.55 1l7b s VAL 66 Ca 0.00 0.70 -0.20 0.00 -1.81 0.00 0.00 61.98 60.67 1l7b s VAL 66 Cb 0.00 -3.40 -0.07 0.00 0.56 0.00 0.00 36.38 33.48 1l7b s VAL 66 CO 0.00 -0.80 0.58 -2.16 -0.31 0.00 0.00 175.10 172.42 1l7b s PRO 67 N -4.87 4.23 -0.07 4.82 0.04 -1.25 -4.70 135.00 133.20 1l7b s PRO 67 Ca 0.59 0.76 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1l7b s PRO 67 Cb -0.14 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.16 1l7b s PRO 67 CO 0.52 0.61 -0.14 0.95 0.04 0.00 0.00 177.00 178.99 1l7b s THR 68 N -1.04 1.25 -0.27 1.26 -4.23 -1.26 -3.77 115.64 107.59 1l7b s THR 68 Ca 0.30 -0.54 -0.14 0.00 -1.18 0.00 0.00 61.69 60.12 1l7b s THR 68 Cb -0.20 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 1l7b s THR 68 CO 0.19 0.38 0.34 -0.76 -0.54 0.00 0.00 174.62 174.23 1l7b s LEU 69 N 0.63 4.04 0.39 4.79 2.01 -0.64 -4.86 118.68 125.05 1l7b s LEU 69 Ca -0.15 0.25 -0.27 0.00 0.01 0.00 0.00 54.13 53.97 1l7b s LEU 69 Cb -0.16 -2.37 -0.10 0.00 0.01 0.00 0.00 46.19 43.57 1l7b s LEU 69 CO 0.04 -0.15 1.43 -0.89 1.01 0.00 0.00 176.35 177.80 1l7b s THR 70 N 1.95 2.19 0.25 5.49 2.01 -1.26 -2.69 115.64 123.59 1l7b s THR 70 Ca 0.14 0.19 0.36 0.00 0.31 0.00 0.00 61.69 62.68 1l7b s THR 70 Cb -0.16 -3.12 0.40 0.00 0.01 0.00 0.00 72.50 69.63 1l7b s THR 70 CO 0.10 0.04 2.08 -0.08 -0.69 0.00 0.00 174.62 176.07 1l7b h GLU 71 N 2.88 0.00 -0.73 4.92 4.81 -1.87 -3.13 114.58 121.46 1l7b h GLU 71 Ca -0.50 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 58.87 1l7b h GLU 71 Cb 1.24 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.49 1l7b h GLU 71 CO 0.63 0.01 -0.23 1.49 -0.73 0.00 0.00 179.01 180.19 1l7b h GLU 72 N 0.00 -0.04 -0.18 1.92 4.81 -1.92 0.79 114.58 119.96 1l7b h GLU 72 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1l7b h GLU 72 Cb 0.39 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1l7b h GLU 72 CO 0.00 -0.02 0.01 1.49 -0.73 0.00 0.00 179.01 179.76 1l7b h GLU 73 N -0.04 0.25 0.18 1.92 4.57 -1.94 -2.54 114.58 116.97 1l7b h GLU 73 Ca 0.33 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 1l7b h GLU 73 Cb 0.55 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1l7b h GLU 73 CO -0.77 0.27 -0.08 1.25 -1.18 0.00 0.00 179.01 178.50 1l7b h LEU 74 N 0.25 -0.20 -1.55 1.64 6.46 0.43 -1.73 115.31 120.60 1l7b h LEU 74 Ca 0.06 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1l7b h LEU 74 Cb 0.15 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1l7b h LEU 74 CO 0.00 -0.13 0.32 1.88 -0.62 0.00 0.00 178.44 179.90 1l7b h TYR 75 N -0.26 0.57 0.00 1.25 0.05 -1.03 0.22 116.97 117.78 1l7b h TYR 75 Ca -0.02 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1l7b h TYR 75 Cb 0.20 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1l7b h TYR 75 CO -0.06 0.35 0.00 -2.13 -1.05 0.00 0.00 178.16 175.27 1l7b n ARG 76 N -4.47 0.00 0.21 4.88 0.63 -0.86 0.22 116.66 117.28 1l7b n ARG 76 Ca 0.05 0.21 0.18 0.00 -0.92 0.00 0.00 57.85 57.37 1l7b n ARG 76 Cb 0.10 -1.06 0.81 0.00 0.45 0.00 0.00 32.46 32.76 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 -1.38 -0.69 115.31 122.77 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 -0.09 0.25 0.09 0.00 0.00 178.44 178.69 1l7b h LEU 78 N 0.00 0.00 -1.87 1.67 6.46 -0.95 -1.80 115.31 118.82 1l7b h LEU 78 Ca 0.09 0.00 0.27 0.00 -0.12 0.00 0.00 57.88 58.12 1l7b h LEU 78 Cb 0.78 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.67 1l7b h LEU 78 CO -0.00 0.25 0.78 -0.08 -0.62 0.00 0.00 178.44 178.77 1l7b h GLU 79 N -0.42 0.00 0.00 1.25 4.81 -0.05 0.32 114.58 120.50 1l7b h GLU 79 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1l7b h GLU 79 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1l7b h GLU 79 CO 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1l7b h ALA 80 N 1.32 0.00 -0.94 2.92 0.00 -1.25 -0.67 119.26 120.64 1l7b h ALA 80 Ca 0.44 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.57 1l7b h ALA 80 Cb 1.99 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.61 1l7b h ALA 80 CO -0.00 0.00 -0.08 -0.09 0.00 0.00 0.00 179.25 179.08 1l7b h ARG 81 N -0.42 0.02 0.31 0.00 2.43 -0.40 0.30 114.38 116.62 1l7b h ARG 81 Ca 0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1l7b h ARG 81 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1l7b h ARG 81 CO 0.00 0.01 -0.15 1.79 -1.51 0.00 0.00 179.97 180.12 1l7b h THR 82 N 0.02 0.72 0.00 0.20 1.35 -0.52 -3.47 112.91 111.21 1l7b h THR 82 Ca 0.52 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1l7b h THR 82 Cb 0.95 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1l7b h THR 82 CO -0.90 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.07 1l7b n GLY 83 N -0.59 0.65 0.00 5.82 0.00 0.11 -4.99 105.19 106.19 1l7b n GLY 83 Ca -0.10 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1l7b n GLY 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1l7b n LYS 84 N -2.61 0.00 -4.11 1.61 3.00 -1.24 -5.04 118.16 109.78 1l7b n LYS 84 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 1l7b n LYS 84 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 34.87 1l7b n LYS 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1l7b s LYS 85 N 2.78 2.81 0.22 1.64 1.02 -1.26 -4.96 119.74 121.99 1l7b s LYS 85 Ca 0.00 -0.93 -0.15 0.00 0.02 0.00 0.00 55.97 54.91 1l7b s LYS 85 Cb 0.00 -2.62 0.25 0.00 -0.52 0.00 0.00 37.83 34.94 1l7b s LYS 85 CO 0.00 -0.29 1.59 0.00 -0.92 0.00 0.00 175.35 175.73 1l7b h ALA 86 N 7.91 0.29 -0.27 5.17 0.00 -1.92 0.18 119.26 130.62 1l7b h ALA 86 Ca -0.40 0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1l7b h ALA 86 Cb 1.12 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1l7b h ALA 86 CO 0.60 -0.52 0.02 0.93 0.00 0.00 0.00 179.25 180.28 1l7b h GLU 87 N -0.05 0.11 0.00 0.00 5.08 -2.00 -3.45 114.58 114.27 1l7b h GLU 87 Ca 0.32 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1l7b h GLU 87 Cb 0.57 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1l7b h GLU 87 CO -0.79 0.07 0.00 -1.91 -1.00 0.00 0.00 179.01 175.38 1l7b n GLU 88 N -5.13 0.00 0.00 2.33 2.13 0.62 -4.84 120.64 115.75 1l7b n GLU 88 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1l7b n GLU 88 Cb 0.13 -3.23 0.00 0.00 0.27 0.00 0.00 31.44 28.61 1l7b n GLU 88 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 1l7b n LEU 89 N 0.00 0.00 0.00 4.31 -0.00 -1.26 -4.86 117.00 115.19 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 0.55 -0.00 0.00 0.00 177.39 177.94 1l7b n VAL 90 N 0.00 0.00 0.00 1.47 3.14 -1.26 -4.80 118.33 116.88 1l7b n VAL 90 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1l7b n VAL 90 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1l7b n VAL 90 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1l7b n GLY 91 N -0.18 0.44 0.28 7.55 0.00 -1.26 -5.29 105.19 106.73 1l7b n GLY 91 Ca 0.00 -1.22 0.15 0.00 0.00 0.00 0.00 46.02 44.95 1l7b n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18