#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 3.34 0.45 2.12 -1.05 -1.26 -4.83 118.70 117.47 1l7b s GLU 2 Ca 0.00 -0.04 0.24 0.00 -0.15 0.00 0.00 54.97 55.03 1l7b s GLU 2 Cb 0.00 -4.10 0.45 0.00 -0.44 0.00 0.00 34.13 30.04 1l7b s GLU 2 CO 0.00 -1.91 1.65 -0.22 0.95 0.00 0.00 175.26 175.73 1l7b h LYS 3 N 9.78 0.00 0.00 -4.83 1.63 -2.11 -3.47 116.57 117.57 1l7b h LYS 3 Ca -0.27 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 1l7b h LYS 3 Cb 1.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 1l7b h LYS 3 CO 1.23 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 177.64 1l7b n GLY 4 N 0.98 1.08 2.23 5.01 0.00 -1.26 -4.81 105.19 108.41 1l7b n GLY 4 Ca 0.04 0.37 -0.04 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.32 0.95 -0.02 0.00 -1.26 -4.99 105.19 99.55 1l7b n GLY 5 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.84 0.00 0.00 1.61 4.07 -1.26 -4.95 120.64 118.27 1l7b n GLU 6 Ca -0.02 -1.06 0.00 0.00 -0.06 0.00 0.00 57.16 56.02 1l7b n GLU 6 Cb 0.53 0.09 0.00 0.00 -0.06 0.00 0.00 31.44 32.00 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 0.14 0.00 -2.25 4.31 0.00 -1.26 -4.27 120.51 117.18 1l7b n ALA 7 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.40 1l7b n ALA 7 Cb 0.78 0.10 0.08 0.00 0.00 0.00 0.00 19.45 20.41 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 -0.43 1.62 -4.76 0.00 -0.00 -1.26 -4.98 117.00 107.18 1l7b n LEU 8 Ca 0.00 -2.67 -0.30 0.00 -0.00 0.00 0.00 56.01 53.05 1l7b n LEU 8 Cb 0.00 -0.14 0.12 0.00 -0.00 0.00 0.00 43.42 43.41 1l7b n LEU 8 CO 0.00 0.83 0.69 -0.54 -0.00 0.00 0.00 177.39 178.37 1l7b s LYS 9 N -1.22 1.47 0.00 1.47 1.02 -1.26 -3.73 119.74 117.49 1l7b s LYS 9 Ca 0.35 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.98 1l7b s LYS 9 Cb 0.38 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 1l7b s LYS 9 CO -0.13 -2.05 0.00 0.41 -0.92 0.00 0.00 175.35 172.66 1l7b n GLY 10 N -1.66 0.82 3.45 -3.33 0.00 -1.26 -4.97 105.19 98.24 1l7b n GLY 10 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 2.55 0.05 0.99 2.01 -1.24 -5.04 118.68 117.99 1l7b s LEU 11 Ca 0.00 -0.79 0.08 0.00 0.01 0.00 0.00 54.13 53.43 1l7b s LEU 11 Cb 0.00 -1.29 -0.03 0.00 0.01 0.00 0.00 46.19 44.88 1l7b s LEU 11 CO 0.00 0.12 -0.20 -0.89 1.01 0.00 0.00 176.35 176.40 1l7b s THR 12 N -1.61 2.68 -0.08 5.49 2.01 -1.26 -2.58 115.64 120.30 1l7b s THR 12 Ca 0.21 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1l7b s THR 12 Cb -0.08 -2.13 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1l7b s THR 12 CO 0.11 0.32 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.91 1l7b s PHE 13 N -0.92 1.32 0.08 4.92 0.08 -0.85 -4.61 117.98 118.00 1l7b s PHE 13 Ca 0.14 -0.54 0.05 0.00 0.12 0.00 0.00 56.93 56.71 1l7b s PHE 13 Cb -0.10 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.26 1l7b s PHE 13 CO 0.05 -0.34 -0.06 0.54 -0.10 0.00 0.00 175.22 175.31 1l7b s VAL 14 N 1.10 3.64 -0.21 -0.44 0.11 0.43 0.44 120.40 125.46 1l7b s VAL 14 Ca -0.07 -1.07 -0.02 0.00 -2.93 0.00 0.00 61.98 57.90 1l7b s VAL 14 Cb -0.14 -2.68 0.00 0.00 -1.53 0.00 0.00 36.38 32.03 1l7b s VAL 14 CO -0.01 0.18 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.20 1l7b s ILE 15 N -1.19 2.85 -0.47 7.04 1.09 -1.08 -2.64 121.20 126.80 1l7b s ILE 15 Ca 0.22 -0.68 -0.26 0.00 -1.10 0.00 0.00 60.65 58.82 1l7b s ILE 15 Cb -0.11 -2.27 -0.06 0.00 -1.06 0.00 0.00 42.46 38.96 1l7b s ILE 15 CO 0.14 0.46 2.31 -0.89 -0.10 0.00 0.00 174.94 176.86 1l7b s THR 16 N 1.40 3.06 0.00 2.92 2.01 -1.26 -4.39 115.64 119.38 1l7b s THR 16 Ca 0.05 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1l7b s THR 16 Cb -0.14 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1l7b s THR 16 CO -0.07 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.34 1l7b n GLY 17 N 5.93 0.12 0.00 4.40 0.00 -1.26 -0.82 105.19 113.56 1l7b n GLY 17 Ca 0.34 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 0.00 0.00 0.00 1.61 2.13 -1.26 -4.99 120.64 118.13 1l7b n GLU 18 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1l7b n GLU 18 Cb 0.00 -0.30 0.00 0.00 0.27 0.00 0.00 31.44 31.41 1l7b n GLU 18 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1l7b n LEU 19 N 0.00 0.00 -0.09 4.31 0.00 0.00 -2.35 117.00 118.87 1l7b n LEU 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1l7b n LEU 19 Cb 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 43.42 43.48 1l7b n LEU 19 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.39 177.15 1l7b n SER 20 N 0.00 -0.74 -3.52 1.96 2.88 -1.26 -2.90 113.62 110.03 1l7b n SER 20 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1l7b n SER 20 Cb 0.00 -0.28 0.01 0.00 -0.75 0.00 0.00 64.21 63.19 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 -2.72 1.05 -0.72 -1.46 0.52 -0.99 -4.94 118.95 109.70 1l7b s ARG 21 Ca 0.00 -0.66 -0.26 0.00 -0.52 0.00 0.00 55.73 54.30 1l7b s ARG 21 Cb 0.00 0.31 -0.07 0.00 0.52 0.00 0.00 34.95 35.71 1l7b s ARG 21 CO 0.00 -0.49 2.15 -1.25 0.02 0.00 0.00 175.30 175.73 1l7b s PRO 22 N -2.35 2.21 0.07 3.54 0.04 -1.26 -4.76 135.00 132.49 1l7b s PRO 22 Ca 0.21 0.50 0.26 0.00 0.04 0.00 0.00 61.00 62.01 1l7b s PRO 22 Cb -0.01 -4.73 0.80 0.00 0.04 0.00 0.00 34.50 30.60 1l7b s PRO 22 CO 0.03 -3.50 1.66 2.89 0.04 0.00 0.00 177.00 178.12 1l7b n ARG 23 N 8.96 0.12 0.13 4.56 1.85 -1.26 -3.78 116.66 127.23 1l7b n ARG 23 Ca 0.37 0.07 -0.24 0.00 -1.00 0.00 0.00 57.85 57.04 1l7b n ARG 23 Cb 0.49 -1.61 -0.16 0.00 -1.05 0.00 0.00 32.46 30.13 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 0.50 0.77 2.89 4.81 -1.95 -2.60 114.58 119.00 1l7b h GLU 24 Ca 0.00 -0.85 -0.04 0.00 -0.13 0.00 0.00 59.36 58.34 1l7b h GLU 24 Cb 0.60 0.32 0.01 0.00 0.63 0.00 0.00 28.75 30.31 1l7b h GLU 24 CO 0.00 1.41 -0.37 0.93 -0.73 0.00 0.00 179.01 180.24 1l7b h GLU 25 N 0.05 -1.00 -0.57 1.92 5.08 -1.98 0.41 114.58 118.50 1l7b h GLU 25 Ca -0.24 0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1l7b h GLU 25 Cb 2.08 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 31.52 1l7b h GLU 25 CO 0.25 -0.66 0.38 -0.24 -1.00 0.00 0.00 179.01 177.74 1l7b h VAL 26 N -1.10 1.02 -0.03 3.13 3.04 -1.71 -0.63 116.25 119.97 1l7b h VAL 26 Ca -0.11 -0.20 -0.15 0.00 -1.01 0.00 0.00 66.70 65.23 1l7b h VAL 26 Cb 0.81 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.46 1l7b h VAL 26 CO 0.17 0.11 -0.66 0.11 -1.01 0.00 0.00 177.57 176.29 1l7b h LYS 27 N 0.58 0.14 0.00 4.17 1.79 -1.11 -0.89 116.57 121.25 1l7b h LYS 27 Ca 0.24 -0.11 -0.05 0.00 -2.18 0.00 0.00 60.65 58.55 1l7b h LYS 27 Cb 0.21 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1l7b h LYS 27 CO -0.07 0.75 -0.23 0.00 -1.08 0.00 0.00 179.45 178.82 1l7b h ALA 28 N 1.22 1.55 0.03 3.86 0.00 0.14 -2.40 119.26 123.65 1l7b h ALA 28 Ca -0.01 -0.21 -0.29 0.00 0.00 0.00 0.00 54.91 54.40 1l7b h ALA 28 Cb 1.18 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1l7b h ALA 28 CO 0.10 0.29 -1.60 -0.07 0.00 0.00 0.00 179.25 177.97 1l7b h LEU 29 N 0.00 0.09 0.18 0.00 4.07 -1.22 -3.28 115.31 115.16 1l7b h LEU 29 Ca -0.00 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1l7b h LEU 29 Cb 0.43 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1l7b h LEU 29 CO 0.03 1.14 -0.17 0.25 -1.08 0.00 0.00 178.44 178.62 1l7b h LEU 30 N 0.02 -0.44 -0.81 1.67 7.12 -0.69 0.15 115.31 122.31 1l7b h LEU 30 Ca -0.25 0.04 0.09 0.00 0.13 0.00 0.00 57.88 57.90 1l7b h LEU 30 Cb 1.98 0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 42.18 1l7b h LEU 30 CO 0.10 -0.25 0.46 0.08 -0.13 0.00 0.00 178.44 178.70 1l7b h ARG 31 N -0.37 0.76 -0.26 1.25 0.11 -1.60 0.37 114.38 114.64 1l7b h ARG 31 Ca -0.00 -0.05 0.02 0.00 0.10 0.00 0.00 59.98 60.06 1l7b h ARG 31 Cb 0.34 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 1l7b h ARG 31 CO -0.03 0.50 0.17 0.00 0.10 0.00 0.00 179.97 180.71 1l7b h ARG 32 N 0.78 0.25 0.00 0.08 2.47 -1.41 0.12 114.38 116.67 1l7b h ARG 32 Ca 0.39 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 1l7b h ARG 32 Cb 0.35 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1l7b h ARG 32 CO -0.24 0.17 0.00 -0.11 0.56 0.00 0.00 179.97 180.34 1l7b n LEU 33 N -4.50 0.00 0.00 3.04 7.94 0.13 -4.84 117.00 118.77 1l7b n LEU 33 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1l7b n LEU 33 Cb 0.14 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.09 1l7b n LEU 33 CO 0.35 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.24 1l7b n GLY 34 N 0.33 2.10 3.72 -3.96 0.00 0.42 -4.51 105.19 103.30 1l7b n GLY 34 Ca 0.05 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.23 1.82 0.35 4.61 0.00 -1.24 -4.77 121.76 122.31 1l7b s ALA 35 Ca 0.00 0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.45 1l7b s ALA 35 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1l7b s ALA 35 CO 0.00 -2.30 0.39 0.15 0.00 0.00 0.00 175.76 173.99 1l7b s LYS 36 N -4.77 2.85 0.17 0.00 1.02 -1.06 -4.06 119.74 113.88 1l7b s LYS 36 Ca 0.64 -1.22 -0.02 0.00 0.02 0.00 0.00 55.97 55.39 1l7b s LYS 36 Cb -0.20 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1l7b s LYS 36 CO 0.57 0.02 0.12 0.14 -0.92 0.00 0.00 175.35 175.29 1l7b s VAL 37 N -2.28 0.05 0.01 3.17 -7.23 -1.26 -2.01 120.40 110.85 1l7b s VAL 37 Ca 0.44 -1.89 -0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1l7b s VAL 37 Cb -0.07 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.63 1l7b s VAL 37 CO 0.29 -0.23 0.02 0.35 -0.31 0.00 0.00 175.10 175.22 1l7b n THR 38 N -0.19 0.00 -2.07 5.32 -2.24 0.17 -4.80 114.28 110.47 1l7b n THR 38 Ca -0.02 -0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1l7b n THR 38 Cb 0.65 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.87 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 -2.01 -0.58 -3.78 3.42 5.68 -1.26 -2.63 116.55 115.39 1l7b n ASP 39 Ca -0.00 -1.88 -0.11 0.00 -0.50 0.00 0.00 54.79 52.30 1l7b n ASP 39 Cb 0.02 0.17 -0.06 0.00 -1.14 0.00 0.00 41.12 40.12 1l7b n ASP 39 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1l7b s SER 40 N -1.01 0.26 -0.03 -1.12 0.01 -1.26 -4.75 113.70 105.80 1l7b s SER 40 Ca 0.05 -1.19 -0.01 0.00 1.31 0.00 0.00 55.95 56.11 1l7b s SER 40 Cb 0.05 0.58 0.03 0.00 0.21 0.00 0.00 66.02 66.89 1l7b s SER 40 CO -0.02 -1.15 0.05 0.68 0.41 0.00 0.00 173.24 173.21 1l7b s VAL 41 N -3.71 -0.07 0.00 3.43 -7.23 -1.26 -4.74 120.40 106.81 1l7b s VAL 41 Ca 0.28 0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.70 1l7b s VAL 41 Cb 0.01 -0.12 0.00 0.00 0.56 0.00 0.00 36.38 36.83 1l7b s VAL 41 CO 0.13 0.10 0.00 -1.20 -0.31 0.00 0.00 175.10 173.82 1l7b n SER 42 N 4.40 0.15 0.00 4.85 7.64 -1.26 -5.05 113.62 124.35 1l7b n SER 42 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.65 1l7b n SER 42 Cb 0.50 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.76 0.00 0.31 1.43 0.63 -1.26 -4.93 116.66 112.07 1l7b n ARG 43 Ca 0.00 0.00 0.18 0.00 -0.92 0.00 0.00 57.85 57.11 1l7b n ARG 43 Cb 0.02 0.00 0.98 0.00 0.45 0.00 0.00 32.46 33.91 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 0.00 -0.14 6.56 -1.99 -3.36 116.57 117.64 1l7b h LYS 44 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1l7b h LYS 44 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1l7b h LYS 44 CO 0.00 0.00 0.00 2.41 -2.06 0.00 0.00 179.45 179.80 1l7b n THR 45 N -2.87 0.00 -2.67 -0.16 -1.04 -1.26 -4.87 114.28 101.41 1l7b n THR 45 Ca -0.02 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.79 1l7b n THR 45 Cb 0.17 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.70 1l7b n THR 45 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1l7b n SER 46 N 0.00 -5.70 -3.71 8.00 3.41 -1.26 -4.98 113.62 109.38 1l7b n SER 46 Ca 0.00 -0.14 -0.23 0.00 -0.26 0.00 0.00 58.87 58.24 1l7b n SER 46 Cb 0.00 -4.63 -0.17 0.00 -0.26 0.00 0.00 64.21 59.15 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 -3.05 0.46 0.08 7.33 2.02 -1.26 -4.24 117.35 118.69 1l7b s TYR 47 Ca 0.14 -0.14 0.06 0.00 -0.37 0.00 0.00 57.07 56.76 1l7b s TYR 47 Cb -0.06 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.75 1l7b s TYR 47 CO 0.18 -0.35 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.47 1l7b s LEU 48 N 2.04 2.26 -0.41 -1.29 0.20 -1.26 0.16 118.68 120.38 1l7b s LEU 48 Ca 0.04 -0.61 -0.21 0.00 0.69 0.00 0.00 54.13 54.04 1l7b s LEU 48 Cb -0.13 -0.69 0.02 0.00 -0.43 0.00 0.00 46.19 44.96 1l7b s LEU 48 CO -0.05 0.00 0.66 0.68 -0.29 0.00 0.00 176.35 177.35 1l7b s VAL 49 N -1.14 4.83 -0.84 1.68 -7.23 -1.08 -0.76 120.40 115.85 1l7b s VAL 49 Ca 0.02 0.32 -0.24 0.00 -1.81 0.00 0.00 61.98 60.27 1l7b s VAL 49 Cb -0.10 -4.17 0.06 0.00 0.56 0.00 0.00 36.38 32.73 1l7b s VAL 49 CO 0.03 -0.51 1.26 -0.69 -0.31 0.00 0.00 175.10 174.88 1l7b s VAL 50 N 2.84 4.02 -0.05 1.32 1.01 -1.03 -4.73 120.40 123.77 1l7b s VAL 50 Ca 0.24 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 1l7b s VAL 50 Cb -0.14 -4.91 -0.02 0.00 0.00 0.00 0.00 36.38 31.31 1l7b s VAL 50 CO 0.18 -1.77 -0.12 0.61 0.00 0.00 0.00 175.10 174.00 1l7b n GLY 51 N 5.89 -0.42 0.81 4.51 0.00 -1.26 -3.26 105.19 111.46 1l7b n GLY 51 Ca 0.14 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1l7b n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l7b n GLU 52 N -3.21 -1.99 -0.00 1.61 -0.58 -1.26 -5.04 120.64 110.17 1l7b n GLU 52 Ca -0.05 -0.39 -0.02 0.00 -0.42 0.00 0.00 57.16 56.28 1l7b n GLU 52 Cb 0.17 -0.42 -0.01 0.00 -0.57 0.00 0.00 31.44 30.62 1l7b n GLU 52 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1l7b n ASN 53 N -3.54 1.03 -0.74 1.62 4.13 -1.26 -4.63 115.26 111.87 1l7b n ASN 53 Ca 0.04 0.15 0.03 0.00 1.68 0.00 0.00 54.58 56.47 1l7b n ASN 53 Cb 0.14 -0.41 0.12 0.00 -1.54 0.00 0.00 39.78 38.09 1l7b n ASN 53 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1l7b n PRO 54 N -3.48 1.95 -0.95 3.52 -0.04 -1.26 -4.83 135.00 129.90 1l7b n PRO 54 Ca -0.04 -0.91 -0.34 0.00 -0.04 0.00 0.00 63.50 62.17 1l7b n PRO 54 Cb 0.14 -1.53 0.10 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.44 -1.79 0.15 0.55 0.00 -1.25 -4.79 105.19 98.50 1l7b n GLY 55 Ca 0.08 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.58 1l7b n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1l7b n SER 56 N -1.07 0.57 0.29 1.61 7.64 -1.14 -1.57 113.62 119.95 1l7b n SER 56 Ca 0.08 0.73 0.18 0.00 1.01 0.00 0.00 58.87 60.87 1l7b n SER 56 Cb 0.52 -0.82 0.96 0.00 -1.01 0.00 0.00 64.21 63.86 1l7b n SER 56 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1l7b h LYS 57 N 0.00 0.00 -0.52 1.43 2.10 -1.79 -2.69 116.57 115.10 1l7b h LYS 57 Ca 0.00 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.80 1l7b h LYS 57 Cb 0.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 1l7b h LYS 57 CO 0.00 0.00 0.91 1.25 -2.00 0.00 0.00 179.45 179.61 1l7b h LEU 58 N 0.00 0.00 0.33 7.07 5.85 -1.61 2.42 115.31 129.37 1l7b h LEU 58 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1l7b h LEU 58 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1l7b h LEU 58 CO 0.00 0.00 -0.16 -0.08 -0.34 0.00 0.00 178.44 177.86 1l7b h GLU 59 N 0.00 -0.42 0.00 1.25 4.81 -1.77 -2.62 114.58 115.83 1l7b h GLU 59 Ca 0.25 0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1l7b h GLU 59 Cb 2.06 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 31.51 1l7b h GLU 59 CO -0.00 -0.27 -0.95 -0.22 -0.73 0.00 0.00 179.01 176.85 1l7b h LYS 60 N -1.11 0.00 -0.05 1.92 3.64 -1.07 -2.85 116.57 117.04 1l7b h LYS 60 Ca -0.04 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 1l7b h LYS 60 Cb 0.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1l7b h LYS 60 CO 0.07 0.40 -0.60 0.00 -2.27 0.00 0.00 179.45 177.05 1l7b h ALA 61 N 1.47 0.89 0.14 5.00 0.00 0.38 -3.21 119.26 123.94 1l7b h ALA 61 Ca -0.08 -0.54 -0.25 0.00 0.00 0.00 0.00 54.91 54.04 1l7b h ALA 61 Cb 1.47 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1l7b h ALA 61 CO 0.06 0.73 -1.21 -0.09 0.00 0.00 0.00 179.25 178.73 1l7b h ARG 62 N 0.14 0.29 -3.47 0.00 2.43 -1.56 -3.45 114.38 108.76 1l7b h ARG 62 Ca -0.01 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1l7b h ARG 62 Cb 1.09 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1l7b h ARG 62 CO 0.09 1.24 -0.09 0.00 -1.51 0.00 0.00 179.97 179.70 1l7b n ALA 63 N -2.84 -1.09 0.08 2.80 0.00 -1.08 -4.71 120.51 113.68 1l7b n ALA 63 Ca -0.20 0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1l7b n ALA 63 Cb 0.89 -0.59 0.05 0.00 0.00 0.00 0.00 19.45 19.81 1l7b n ALA 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1l7b n LEU 64 N 1.70 4.57 0.00 0.00 4.77 -1.26 -4.31 117.00 122.47 1l7b n LEU 64 Ca 0.00 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 53.64 1l7b n LEU 64 Cb 0.00 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1l7b n LEU 64 CO 0.00 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1l7b n GLY 65 N 0.07 1.31 3.76 -0.72 0.00 -1.26 -5.14 105.19 103.22 1l7b n GLY 65 Ca 0.20 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1l7b n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l7b s VAL 66 N 0.00 2.77 -0.06 1.61 1.01 -1.26 -4.99 120.40 119.48 1l7b s VAL 66 Ca 0.00 0.60 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 1l7b s VAL 66 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1l7b s VAL 66 CO 0.00 0.01 0.69 -2.16 0.00 0.00 0.00 175.10 173.64 1l7b s PRO 67 N -2.65 4.43 -0.01 2.72 0.04 -1.26 -4.65 135.00 133.63 1l7b s PRO 67 Ca 0.64 0.86 0.02 0.00 0.04 0.00 0.00 61.00 62.56 1l7b s PRO 67 Cb -0.33 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.73 1l7b s PRO 67 CO 0.40 0.09 -0.03 0.95 0.04 0.00 0.00 177.00 178.45 1l7b s THR 68 N 0.73 3.91 -0.29 1.26 -4.23 -1.26 -4.00 115.64 111.76 1l7b s THR 68 Ca 0.37 -0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 60.11 1l7b s THR 68 Cb -0.18 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 1l7b s THR 68 CO 0.18 0.41 0.20 -0.76 -0.54 0.00 0.00 174.62 174.10 1l7b s LEU 69 N -1.43 4.12 0.14 4.79 2.01 0.06 -4.82 118.68 123.54 1l7b s LEU 69 Ca 0.18 -0.10 -0.33 0.00 0.01 0.00 0.00 54.13 53.89 1l7b s LEU 69 Cb -0.11 -2.12 -0.12 0.00 0.01 0.00 0.00 46.19 43.84 1l7b s LEU 69 CO 0.08 -0.09 1.71 0.41 1.01 0.00 0.00 176.35 179.47 1l7b n THR 70 N 5.07 0.15 0.26 5.49 -1.04 -1.26 -2.45 114.28 120.50 1l7b n THR 70 Ca -0.14 -0.03 0.15 0.00 -2.04 0.00 0.00 64.05 62.00 1l7b n THR 70 Cb 0.51 -1.82 0.64 0.00 -1.82 0.00 0.00 70.33 67.84 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 7.12 0.00 -0.05 -2.82 4.22 -1.83 -3.09 114.58 118.14 1l7b h GLU 71 Ca -0.45 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.02 1l7b h GLU 71 Cb 1.24 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 1l7b h GLU 71 CO 0.93 0.07 -0.24 0.93 -2.18 0.00 0.00 179.01 178.52 1l7b h GLU 72 N 0.00 -0.33 -0.91 1.92 4.39 -1.88 0.21 114.58 117.97 1l7b h GLU 72 Ca -0.00 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.89 1l7b h GLU 72 Cb 0.56 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.18 1l7b h GLU 72 CO 0.01 -0.22 0.49 1.49 -1.16 0.00 0.00 179.01 179.62 1l7b h GLU 73 N -0.34 0.63 -0.59 2.33 4.81 -1.93 0.40 114.58 119.89 1l7b h GLU 73 Ca 0.08 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1l7b h GLU 73 Cb 0.45 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1l7b h GLU 73 CO -0.25 0.42 0.06 1.25 -0.73 0.00 0.00 179.01 179.76 1l7b h LEU 74 N 0.65 0.93 -1.02 1.64 5.85 -1.18 -2.20 115.31 119.98 1l7b h LEU 74 Ca 0.52 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 1l7b h LEU 74 Cb 0.79 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1l7b h LEU 74 CO -0.39 0.95 -0.47 0.22 -0.34 0.00 0.00 178.44 178.41 1l7b h TYR 75 N 0.91 0.06 0.00 1.25 3.20 0.26 -2.48 116.97 120.17 1l7b h TYR 75 Ca 0.18 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1l7b h TYR 75 Cb 0.44 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1l7b h TYR 75 CO 0.03 0.51 0.00 -2.13 -1.64 0.00 0.00 178.16 174.93 1l7b n ARG 76 N -3.98 0.00 0.01 1.82 0.63 0.75 -2.85 116.66 113.04 1l7b n ARG 76 Ca -0.02 0.19 0.22 0.00 -0.92 0.00 0.00 57.85 57.32 1l7b n ARG 76 Cb 0.50 -0.93 0.61 0.00 0.45 0.00 0.00 32.46 33.08 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 0.42 6.15 3.38 -1.57 0.16 115.31 123.85 1l7b h LEU 77 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 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 -0.20 0.25 0.09 0.00 0.00 178.44 178.58 1l7b h LEU 78 N 0.00 -0.48 0.11 1.67 5.85 -1.47 0.64 115.31 121.63 1l7b h LEU 78 Ca 0.28 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1l7b h LEU 78 Cb 1.76 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.92 1l7b h LEU 78 CO -0.00 -0.32 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.39 1l7b h GLU 79 N -0.61 -0.14 0.00 1.25 4.39 -0.99 1.53 114.58 120.00 1l7b h GLU 79 Ca -0.06 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1l7b h GLU 79 Cb 0.44 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1l7b h GLU 79 CO 0.10 -0.07 0.19 0.00 -1.16 0.00 0.00 179.01 178.06 1l7b n ALA 80 N -2.17 0.71 -0.03 3.43 0.00 0.41 0.14 120.51 123.01 1l7b n ALA 80 Ca -0.08 0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1l7b n ALA 80 Cb 0.09 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 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 1.17 -0.04 0.00 0.63 0.22 -4.68 116.66 112.23 1l7b n ARG 81 Ca -0.01 0.03 -0.13 0.00 -0.92 0.00 0.00 57.85 56.82 1l7b n ARG 81 Cb 0.20 -1.14 -0.08 0.00 0.45 0.00 0.00 32.46 31.89 1l7b n ARG 81 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1l7b h THR 82 N 0.00 1.36 0.00 5.15 2.02 0.32 -3.47 112.91 118.29 1l7b h THR 82 Ca -0.15 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.77 1l7b h THR 82 Cb 1.27 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1l7b h THR 82 CO -0.01 0.36 0.00 0.61 0.37 0.00 0.00 175.52 176.85 1l7b n GLY 83 N 0.21 0.57 3.45 2.16 0.00 0.12 -5.03 105.19 106.67 1l7b n GLY 83 Ca -0.07 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 1l7b n GLY 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1l7b s LYS 84 N -1.06 1.29 0.37 1.61 2.20 -1.26 -5.10 119.74 117.78 1l7b s LYS 84 Ca 0.00 -0.99 -0.28 0.00 -0.36 0.00 0.00 55.97 54.34 1l7b s LYS 84 Cb 0.00 0.46 -0.11 0.00 -1.51 0.00 0.00 37.83 36.68 1l7b s LYS 84 CO 0.00 -0.52 1.42 0.15 -0.36 0.00 0.00 175.35 176.04 1l7b s LYS 85 N -3.91 4.17 0.36 4.03 3.01 -1.26 -4.76 119.74 121.37 1l7b s LYS 85 Ca 0.12 2.43 0.20 0.00 -1.01 0.00 0.00 55.97 57.71 1l7b s LYS 85 Cb 0.01 -2.98 0.42 0.00 -1.01 0.00 0.00 37.83 34.27 1l7b s LYS 85 CO -0.02 -0.43 1.61 0.00 0.51 0.00 0.00 175.35 177.02 1l7b h ALA 86 N 3.08 0.85 0.00 5.17 0.00 -1.98 -3.07 119.26 123.31 1l7b h ALA 86 Ca -0.50 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 53.93 1l7b h ALA 86 Cb 1.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1l7b h ALA 86 CO 0.64 0.40 -1.06 0.93 0.00 0.00 0.00 179.25 180.17 1l7b h GLU 87 N 0.00 0.00 -1.61 0.00 5.08 -2.06 -3.47 114.58 112.52 1l7b h GLU 87 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 1l7b h GLU 87 Cb 1.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1l7b h GLU 87 CO 0.04 0.64 -0.31 0.39 -1.00 0.00 0.00 179.01 178.77 1l7b n GLU 88 N -3.18 -1.00 0.00 2.33 1.02 -1.16 -4.87 120.64 113.78 1l7b n GLU 88 Ca -0.04 0.69 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1l7b n GLU 88 Cb 0.88 -4.87 0.00 0.00 -0.02 0.00 0.00 31.44 27.43 1l7b n GLU 88 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1l7b n LEU 89 N -1.78 0.00 0.00 -4.62 -0.00 -1.26 -5.04 117.00 104.30 1l7b n LEU 89 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1l7b n LEU 89 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1l7b n LEU 89 CO 0.18 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 178.09 1l7b n VAL 90 N 0.00 0.00 0.00 1.47 0.31 -1.26 -4.77 118.33 114.08 1l7b n VAL 90 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1l7b n VAL 90 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 -0.63 0.00 2.92 0.00 -1.26 -5.27 105.19 100.95 1l7b n GLY 91 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1l7b n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06