#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7b n GLU 2 N 0.00 0.00 -0.11 0.03 2.13 -1.26 -3.63 120.64 117.80 1l7b n GLU 2 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 1l7b n GLU 2 Cb 0.00 0.00 0.28 0.00 0.27 0.00 0.00 31.44 31.99 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 0.00 1.68 0.00 5.31 4.01 -1.26 -4.97 118.16 122.93 1l7b n LYS 3 Ca 0.00 -1.03 0.00 0.00 -0.51 0.00 0.00 58.31 56.77 1l7b n LYS 3 Cb 0.00 -1.32 0.00 0.00 -0.51 0.00 0.00 35.03 33.20 1l7b n LYS 3 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1l7b n GLY 4 N 1.05 0.84 0.00 0.72 0.00 -1.24 -4.64 105.19 101.92 1l7b n GLY 4 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 4.63 0.00 -0.02 0.00 -1.26 -3.32 105.19 105.22 1l7b n GLY 5 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.00 0.00 1.61 4.07 -1.26 -5.04 120.64 120.02 1l7b n GLU 6 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1l7b n GLU 6 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 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 0.00 0.00 -1.11 4.31 0.00 -1.26 -3.90 120.51 118.55 1l7b n ALA 7 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1l7b n ALA 7 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 1.56 -4.16 0.00 -0.00 -1.26 -4.88 117.00 108.25 1l7b n LEU 8 Ca 0.00 -2.18 -0.30 0.00 -0.00 0.00 0.00 56.01 53.53 1l7b n LEU 8 Cb 0.00 -0.23 0.14 0.00 -0.00 0.00 0.00 43.42 43.34 1l7b n LEU 8 CO 0.00 0.51 -0.67 1.17 -0.00 0.00 0.00 177.39 178.40 1l7b n LYS 9 N -0.84 -1.53 0.00 1.47 4.81 -1.25 -3.41 118.16 117.41 1l7b n LYS 9 Ca 0.08 -0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.08 1l7b n LYS 9 Cb 0.58 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 34.10 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 2.38 3.09 3.72 3.14 0.00 -1.26 -4.94 105.19 111.32 1l7b n GLY 10 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 3.10 0.01 0.99 1.02 -1.22 -5.04 118.68 117.54 1l7b s LEU 11 Ca 0.00 -1.07 0.07 0.00 0.02 0.00 0.00 54.13 53.15 1l7b s LEU 11 Cb 0.00 -1.42 -0.03 0.00 0.02 0.00 0.00 46.19 44.76 1l7b s LEU 11 CO 0.00 -0.50 -0.22 -0.89 0.02 0.00 0.00 176.35 174.76 1l7b s THR 12 N -2.59 2.47 -0.18 5.49 2.01 -1.26 -2.71 115.64 118.88 1l7b s THR 12 Ca 0.40 -1.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 1l7b s THR 12 Cb 0.03 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 1l7b s THR 12 CO 0.22 0.46 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.15 1l7b s PHE 13 N -0.77 2.88 0.16 4.92 0.40 0.10 -4.66 117.98 121.00 1l7b s PHE 13 Ca 0.12 -0.93 0.11 0.00 -0.60 0.00 0.00 56.93 55.63 1l7b s PHE 13 Cb -0.10 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 1l7b s PHE 13 CO 0.02 -0.46 -0.22 0.08 0.70 0.00 0.00 175.22 175.35 1l7b s VAL 14 N 1.01 2.54 -0.04 -0.44 1.01 0.98 -2.23 120.40 123.23 1l7b s VAL 14 Ca -0.01 -1.82 0.05 0.00 0.00 0.00 0.00 61.98 60.21 1l7b s VAL 14 Cb -0.15 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1l7b s VAL 14 CO -0.01 -0.02 -0.19 0.27 0.00 0.00 0.00 175.10 175.14 1l7b s ILE 15 N -1.43 1.58 -0.76 2.22 -4.36 -1.10 -1.69 121.20 115.65 1l7b s ILE 15 Ca 0.19 -0.82 -0.26 0.00 -0.26 0.00 0.00 60.65 59.51 1l7b s ILE 15 Cb -0.09 -1.34 -0.10 0.00 1.25 0.00 0.00 42.46 42.19 1l7b s ILE 15 CO 0.10 0.45 2.26 -0.89 0.24 0.00 0.00 174.94 177.09 1l7b s THR 16 N -0.16 3.14 -1.51 8.37 2.01 -1.26 -3.44 115.64 122.79 1l7b s THR 16 Ca -0.00 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 61.75 1l7b s THR 16 Cb -0.11 -3.33 0.16 0.00 0.01 0.00 0.00 72.50 69.24 1l7b s THR 16 CO 0.01 -0.31 0.41 0.61 -0.69 0.00 0.00 174.62 174.65 1l7b n GLY 17 N 6.64 -0.29 1.53 4.40 0.00 -1.24 -3.42 105.19 112.81 1l7b n GLY 17 Ca 0.42 0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.51 1l7b n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l7b n GLU 18 N -3.53 -1.86 -0.49 1.61 4.71 -1.22 -5.00 120.64 114.86 1l7b n GLU 18 Ca 0.03 1.67 -0.30 0.00 -0.01 0.00 0.00 57.16 58.55 1l7b n GLU 18 Cb 0.41 -2.08 0.28 0.00 -1.01 0.00 0.00 31.44 29.04 1l7b n GLU 18 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1l7b s LEU 19 N -0.22 -0.80 -1.05 -4.62 1.02 -1.22 -4.73 118.68 107.07 1l7b s LEU 19 Ca -0.01 0.83 -0.07 0.00 0.02 0.00 0.00 54.13 54.90 1l7b s LEU 19 Cb 0.00 -2.30 -0.07 0.00 0.02 0.00 0.00 46.19 43.84 1l7b s LEU 19 CO 0.03 -5.17 2.37 -0.24 0.02 0.00 0.00 176.35 173.36 1l7b n SER 20 N -5.50 5.89 -3.47 2.29 2.88 -1.26 -4.73 113.62 109.72 1l7b n SER 20 Ca 0.13 -2.38 -0.09 0.00 -1.33 0.00 0.00 58.87 55.20 1l7b n SER 20 Cb 0.60 -1.21 -0.01 0.00 -0.75 0.00 0.00 64.21 62.83 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 2.96 1.93 0.00 -1.46 0.52 -1.26 -4.84 118.95 116.79 1l7b s ARG 21 Ca 0.48 -1.29 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1l7b s ARG 21 Cb 0.13 0.57 0.00 0.00 0.52 0.00 0.00 34.95 36.17 1l7b s ARG 21 CO -0.04 -0.87 0.57 -0.35 0.02 0.00 0.00 175.30 174.64 1l7b n PRO 22 N -0.48 0.46 0.00 3.54 -0.04 -1.26 -4.53 135.00 132.69 1l7b n PRO 22 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1l7b n PRO 22 Cb 0.60 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1l7b n PRO 22 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1l7b n ARG 23 N 1.01 0.00 0.00 0.54 5.12 -1.26 0.18 116.66 122.25 1l7b n ARG 23 Ca 0.00 0.06 -0.18 0.00 -1.93 0.00 0.00 57.85 55.81 1l7b n ARG 23 Cb 0.23 -1.83 -0.14 0.00 -1.16 0.00 0.00 32.46 29.56 1l7b n ARG 23 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1l7b h GLU 24 N 0.00 0.18 0.46 5.56 4.81 -1.98 -2.43 114.58 121.19 1l7b h GLU 24 Ca 0.00 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 1l7b h GLU 24 Cb 0.66 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1l7b h GLU 24 CO 0.00 1.15 -0.22 0.93 -0.73 0.00 0.00 179.01 180.14 1l7b h GLU 25 N -0.61 -0.59 -0.46 1.92 4.39 -0.66 -2.30 114.58 116.26 1l7b h GLU 25 Ca -0.09 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.72 1l7b h GLU 25 Cb 1.40 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 30.16 1l7b h GLU 25 CO 0.09 -0.35 0.31 -0.24 -1.16 0.00 0.00 179.01 177.66 1l7b h VAL 26 N -0.70 0.93 -0.11 3.13 3.04 -1.69 0.11 116.25 120.97 1l7b h VAL 26 Ca -0.06 -0.11 -0.03 0.00 -1.01 0.00 0.00 66.70 65.48 1l7b h VAL 26 Cb 0.51 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.36 1l7b h VAL 26 CO 0.10 0.06 -0.09 0.11 -1.01 0.00 0.00 177.57 176.74 1l7b h LYS 27 N 0.32 0.16 -0.25 4.17 1.79 -0.91 0.87 116.57 122.74 1l7b h LYS 27 Ca 0.21 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.54 1l7b h LYS 27 Cb 0.40 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1l7b h LYS 27 CO -0.05 0.26 -0.32 0.00 -1.08 0.00 0.00 179.45 178.27 1l7b h ALA 28 N 1.76 0.98 0.00 3.86 0.00 -0.28 -1.25 119.26 124.33 1l7b h ALA 28 Ca 0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1l7b h ALA 28 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1l7b h ALA 28 CO 0.01 0.60 -0.75 -0.07 0.00 0.00 0.00 179.25 179.05 1l7b h LEU 29 N 0.45 0.00 0.03 0.00 4.07 -0.97 -3.08 115.31 115.81 1l7b h LEU 29 Ca 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1l7b h LEU 29 Cb 0.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.52 1l7b h LEU 29 CO 0.06 0.35 -0.01 0.25 -1.08 0.00 0.00 178.44 178.01 1l7b h LEU 30 N 0.00 -0.03 -0.49 1.67 7.12 0.11 -2.51 115.31 121.18 1l7b h LEU 30 Ca -0.05 -0.56 -0.02 0.00 0.13 0.00 0.00 57.88 57.39 1l7b h LEU 30 Cb 1.30 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.42 1l7b h LEU 30 CO 0.04 0.56 0.25 -0.09 -0.13 0.00 0.00 178.44 179.07 1l7b h ARG 31 N -0.64 0.70 -0.76 1.25 1.12 -1.37 -1.72 114.38 112.97 1l7b h ARG 31 Ca -0.00 -0.10 0.12 0.00 -1.11 0.00 0.00 59.98 58.89 1l7b h ARG 31 Cb 0.59 -0.13 -0.05 0.00 -0.01 0.00 0.00 29.97 30.37 1l7b h ARG 31 CO 0.01 0.58 0.50 -0.09 -3.11 0.00 0.00 179.97 177.85 1l7b h ARG 32 N 0.65 0.52 -0.28 0.20 9.65 -1.58 0.12 114.38 123.66 1l7b h ARG 32 Ca 0.17 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1l7b h ARG 32 Cb 0.10 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 1l7b h ARG 32 CO -0.02 0.35 0.00 -0.11 2.80 0.00 0.00 179.97 182.98 1l7b n LEU 33 N -4.50 0.28 0.00 3.80 7.94 -0.65 -4.78 117.00 119.10 1l7b n LEU 33 Ca 0.14 -0.14 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1l7b n LEU 33 Cb 0.44 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1l7b n LEU 33 CO 0.32 0.07 0.00 0.61 -1.11 0.00 0.00 177.39 177.28 1l7b n GLY 34 N 0.19 1.15 3.67 -3.96 0.00 0.03 -4.13 105.19 102.14 1l7b n GLY 34 Ca 0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 0.82 -1.84 4.61 0.00 -1.25 -4.76 120.51 118.09 1l7b n ALA 35 Ca 0.00 0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.22 1l7b n ALA 35 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 19.45 17.19 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 -2.69 3.97 -0.00 0.00 2.20 -1.10 -4.12 119.74 117.99 1l7b s LYS 36 Ca 0.72 0.98 0.07 0.00 -0.36 0.00 0.00 55.97 57.37 1l7b s LYS 36 Cb -0.44 -2.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.72 1l7b s LYS 36 CO 0.50 -0.26 -0.21 0.14 -0.36 0.00 0.00 175.35 175.16 1l7b s VAL 37 N -2.58 1.65 0.00 4.02 -7.23 -1.26 0.01 120.40 115.00 1l7b s VAL 37 Ca 0.59 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 1l7b s VAL 37 Cb -0.10 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1l7b s VAL 37 CO 0.30 0.41 0.00 0.41 -0.31 0.00 0.00 175.10 175.91 1l7b n THR 38 N 2.43 0.00 -1.23 5.32 -1.04 -0.95 -4.97 114.28 113.85 1l7b n THR 38 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1l7b n THR 38 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 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 -0.82 0.00 -0.90 8.00 5.75 -1.26 -2.72 116.55 124.60 1l7b n ASP 39 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.36 1l7b n ASP 39 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1l7b n ASP 39 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1l7b n SER 40 N 0.00 0.99 -3.75 -1.12 7.64 -1.26 -3.68 113.62 112.44 1l7b n SER 40 Ca 0.00 -0.45 -0.15 0.00 1.01 0.00 0.00 58.87 59.28 1l7b n SER 40 Cb 0.11 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.15 1l7b n SER 40 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1l7b s VAL 41 N 0.83 -0.07 -0.38 0.44 -7.23 -1.26 -4.56 120.40 108.17 1l7b s VAL 41 Ca 0.00 0.22 0.11 0.00 -1.81 0.00 0.00 61.98 60.51 1l7b s VAL 41 Cb 0.00 -0.17 0.35 0.00 0.56 0.00 0.00 36.38 37.12 1l7b s VAL 41 CO 0.00 0.09 0.78 -0.24 -0.31 0.00 0.00 175.10 175.42 1l7b n SER 42 N 4.33 0.50 -0.45 4.85 2.88 -1.26 -4.93 113.62 119.54 1l7b n SER 42 Ca -0.24 -3.08 -0.01 0.00 -1.33 0.00 0.00 58.87 54.21 1l7b n SER 42 Cb 0.51 -0.34 -0.01 0.00 -0.75 0.00 0.00 64.21 63.62 1l7b n SER 42 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1l7b n ARG 43 N 0.28 -1.63 0.00 -1.46 1.74 -1.26 -4.26 116.66 110.07 1l7b n ARG 43 Ca 0.22 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1l7b n ARG 43 Cb 0.67 -3.48 0.00 0.00 -1.02 0.00 0.00 32.46 28.63 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 -0.40 0.00 -2.95 5.56 5.02 -1.26 -5.00 118.16 119.12 1l7b n LYS 44 Ca -0.01 -0.12 -0.08 0.00 -2.02 0.00 0.00 58.31 56.08 1l7b n LYS 44 Cb 0.10 -0.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.82 1l7b n LYS 44 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1l7b s THR 45 N 0.00 -0.72 -0.33 -0.18 2.01 -1.26 -5.02 115.64 110.14 1l7b s THR 45 Ca 0.00 -1.19 0.17 0.00 0.31 0.00 0.00 61.69 60.98 1l7b s THR 45 Cb 0.00 -0.26 0.45 0.00 0.01 0.00 0.00 72.50 72.69 1l7b s THR 45 CO 0.00 -0.26 0.92 -1.20 -0.69 0.00 0.00 174.62 173.40 1l7b n SER 46 N 3.15 1.35 -4.66 3.53 7.64 -1.26 -4.03 113.62 119.33 1l7b n SER 46 Ca 0.19 -2.75 -0.35 0.00 1.01 0.00 0.00 58.87 56.97 1l7b n SER 46 Cb 0.54 -0.53 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 -3.02 3.30 -0.32 1.43 2.02 -1.25 -3.63 117.35 115.89 1l7b s TYR 47 Ca 0.29 0.16 -0.09 0.00 -0.37 0.00 0.00 57.07 57.05 1l7b s TYR 47 Cb 0.45 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1l7b s TYR 47 CO 0.02 0.17 0.14 -1.17 -1.57 0.00 0.00 175.55 173.14 1l7b s LEU 48 N 0.50 4.12 -0.43 -1.29 2.96 -1.24 -0.01 118.68 123.30 1l7b s LEU 48 Ca 0.05 -0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 53.03 1l7b s LEU 48 Cb -0.12 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.62 1l7b s LEU 48 CO 0.00 -0.22 1.14 -0.69 -1.32 0.00 0.00 176.35 175.26 1l7b s VAL 49 N 1.57 4.27 1.07 1.68 1.01 -0.68 -1.53 120.40 127.79 1l7b s VAL 49 Ca 0.04 1.35 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 1l7b s VAL 49 Cb -0.17 -4.52 0.08 0.00 0.00 0.00 0.00 36.38 31.77 1l7b s VAL 49 CO 0.05 -0.84 0.12 0.52 0.00 0.00 0.00 175.10 174.95 1l7b n VAL 50 N 6.57 0.00 0.00 2.92 0.31 -1.09 -4.76 118.33 122.28 1l7b n VAL 50 Ca 0.12 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1l7b n VAL 50 Cb 0.48 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 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 1.88 -0.14 0.00 2.92 0.00 -1.26 -4.31 105.19 104.28 1l7b n GLY 51 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1l7b n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1l7b n GLU 52 N -1.85 0.00 0.03 1.61 0.00 -1.26 -5.06 120.64 114.11 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 0.68 0.00 -1.84 4.13 -1.26 -4.71 115.26 112.25 1l7b n ASN 53 Ca 0.00 0.09 0.01 0.00 1.68 0.00 0.00 54.58 56.36 1l7b n ASN 53 Cb 0.00 -0.21 0.06 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 -3.11 0.71 -0.83 3.52 -0.04 -1.26 -4.77 135.00 129.22 1l7b n PRO 54 Ca -0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1l7b n PRO 54 Cb 0.01 -1.04 0.15 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.22 -0.44 0.00 0.55 0.00 -1.26 -4.80 105.19 99.46 1l7b n GLY 55 Ca 0.02 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.60 0.00 0.15 1.61 2.88 -1.26 -2.53 113.62 110.87 1l7b n SER 56 Ca 0.12 0.26 0.19 0.00 -1.33 0.00 0.00 58.87 58.11 1l7b n SER 56 Cb 0.52 -0.32 0.76 0.00 -0.75 0.00 0.00 64.21 64.42 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 -1.01 -1.46 2.10 -1.88 -1.66 116.57 112.66 1l7b h LYS 57 Ca 0.00 0.00 0.29 0.00 -2.00 0.00 0.00 60.65 58.94 1l7b h LYS 57 Cb 0.05 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.34 1l7b h LYS 57 CO 0.00 0.00 0.96 1.37 -2.00 0.00 0.00 179.45 179.78 1l7b h LEU 58 N 0.00 0.00 0.00 7.07 8.10 -1.79 1.56 115.31 130.25 1l7b h LEU 58 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.14 1l7b h LEU 58 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.21 1l7b h LEU 58 CO -0.00 0.00 -0.05 -0.08 -4.11 0.00 0.00 178.44 174.20 1l7b h GLU 59 N 0.00 0.00 -0.27 0.17 4.81 -1.61 -2.83 114.58 114.86 1l7b h GLU 59 Ca 0.48 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.59 1l7b h GLU 59 Cb 2.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.76 1l7b h GLU 59 CO -0.01 0.00 -0.35 -0.22 -0.73 0.00 0.00 179.01 177.70 1l7b h LYS 60 N -0.63 0.59 -0.55 1.92 1.63 -1.54 -2.68 116.57 115.31 1l7b h LYS 60 Ca 0.00 -0.28 -0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1l7b h LYS 60 Cb 0.05 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 1l7b h LYS 60 CO 0.00 0.86 0.33 0.00 -3.45 0.00 0.00 179.45 177.19 1l7b h ALA 61 N 1.12 0.70 -0.89 5.00 0.00 0.20 -0.54 119.26 124.85 1l7b h ALA 61 Ca 0.05 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1l7b h ALA 61 Cb 0.84 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1l7b h ALA 61 CO 0.07 0.18 0.58 0.00 0.00 0.00 0.00 179.25 180.08 1l7b h ARG 62 N 0.74 1.03 -5.97 0.00 -0.00 -1.33 -3.46 114.38 105.38 1l7b h ARG 62 Ca 0.20 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.98 59.57 1l7b h ARG 62 Cb -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 29.97 29.73 1l7b h ARG 62 CO -0.04 0.68 -0.94 0.00 0.00 0.00 0.00 179.97 179.67 1l7b n ALA 63 N -2.40 -1.95 0.49 0.04 0.00 -0.21 -4.76 120.51 111.71 1l7b n ALA 63 Ca 0.13 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 1l7b n ALA 63 Cb 0.16 -0.65 0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 1.06 3.67 0.00 0.00 -0.00 -1.26 -4.28 117.00 116.19 1l7b n LEU 64 Ca -0.01 -1.88 0.00 0.00 -0.00 0.00 0.00 56.01 54.12 1l7b n LEU 64 Cb 0.48 -0.58 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 1l7b n LEU 64 CO 0.06 0.59 0.00 0.61 -0.00 0.00 0.00 177.39 178.65 1l7b n GLY 65 N 0.12 0.60 3.91 1.47 0.00 -1.26 -5.15 105.19 104.87 1l7b n GLY 65 Ca 0.13 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 4.59 0.19 1.61 -7.23 -1.26 -5.08 120.40 113.23 1l7b s VAL 66 Ca 0.00 0.19 -0.13 0.00 -1.81 0.00 0.00 61.98 60.23 1l7b s VAL 66 Cb 0.00 -3.77 -0.07 0.00 0.56 0.00 0.00 36.38 33.10 1l7b s VAL 66 CO 0.00 -0.77 0.57 -2.16 -0.31 0.00 0.00 175.10 172.42 1l7b s PRO 67 N -4.82 3.93 -0.10 4.82 0.04 -1.24 -4.68 135.00 132.95 1l7b s PRO 67 Ca 0.49 0.44 0.03 0.00 0.04 0.00 0.00 61.00 62.01 1l7b s PRO 67 Cb -0.10 -2.81 0.01 0.00 0.04 0.00 0.00 34.50 31.64 1l7b s PRO 67 CO 0.45 0.40 -0.20 0.95 0.04 0.00 0.00 177.00 178.65 1l7b s THR 68 N -1.61 1.76 -0.25 1.26 -4.23 -1.26 -3.59 115.64 107.71 1l7b s THR 68 Ca 0.42 -0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 60.01 1l7b s THR 68 Cb -0.13 -1.55 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 1l7b s THR 68 CO 0.20 0.49 0.11 -0.22 -0.54 0.00 0.00 174.62 174.66 1l7b s LEU 69 N 0.56 3.73 0.40 4.79 2.96 -0.58 -4.74 118.68 125.80 1l7b s LEU 69 Ca -0.15 -0.08 -0.27 0.00 -0.22 0.00 0.00 54.13 53.41 1l7b s LEU 69 Cb -0.17 -2.01 -0.10 0.00 0.50 0.00 0.00 46.19 44.42 1l7b s LEU 69 CO 0.05 -0.00 1.46 -0.89 -1.32 0.00 0.00 176.35 175.65 1l7b s THR 70 N 1.45 2.07 0.08 3.68 2.01 -1.26 -2.67 115.64 120.99 1l7b s THR 70 Ca 0.06 0.07 0.26 0.00 0.31 0.00 0.00 61.69 62.39 1l7b s THR 70 Cb -0.15 -3.04 0.28 0.00 0.01 0.00 0.00 72.50 69.60 1l7b s THR 70 CO 0.06 0.01 1.84 -0.08 -0.69 0.00 0.00 174.62 175.76 1l7b h GLU 71 N 2.74 0.00 -0.63 4.92 4.81 -1.86 -3.17 114.58 121.40 1l7b h GLU 71 Ca -0.51 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 58.85 1l7b h GLU 71 Cb 1.25 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.52 1l7b h GLU 71 CO 0.63 0.16 -0.05 0.93 -0.73 0.00 0.00 179.01 179.94 1l7b h GLU 72 N 0.00 0.07 -0.81 1.92 4.39 -1.91 0.50 114.58 118.74 1l7b h GLU 72 Ca -0.00 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1l7b h GLU 72 Cb 0.72 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 1l7b h GLU 72 CO 0.02 0.05 0.54 0.93 -1.16 0.00 0.00 179.01 179.38 1l7b h GLU 73 N 0.07 1.04 -0.33 2.33 4.39 -1.94 -1.39 114.58 118.75 1l7b h GLU 73 Ca 0.32 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.99 1l7b h GLU 73 Cb 0.52 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1l7b h GLU 73 CO -0.58 0.69 0.12 1.25 -1.16 0.00 0.00 179.01 179.34 1l7b h LEU 74 N 1.08 0.15 -1.12 1.33 7.12 -0.19 -0.98 115.31 122.71 1l7b h LEU 74 Ca 0.31 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.32 1l7b h LEU 74 Cb -0.08 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.03 1l7b h LEU 74 CO -0.07 0.12 0.31 1.88 -0.13 0.00 0.00 178.44 180.55 1l7b h TYR 75 N 0.27 0.92 0.00 1.25 0.05 -0.43 -0.63 116.97 118.40 1l7b h TYR 75 Ca 0.15 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1l7b h TYR 75 Cb 0.11 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.56 1l7b h TYR 75 CO -0.13 0.68 0.00 -2.13 -1.05 0.00 0.00 178.16 175.53 1l7b n ARG 76 N -4.34 0.00 -0.19 4.88 0.63 -0.48 0.46 116.66 117.62 1l7b n ARG 76 Ca 0.06 0.18 0.30 0.00 -0.92 0.00 0.00 57.85 57.47 1l7b n ARG 76 Cb 0.14 -1.11 0.72 0.00 0.45 0.00 0.00 32.46 32.65 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 0.18 6.15 -0.00 -1.32 -1.27 115.31 119.05 1l7b h LEU 77 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 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 -0.08 0.25 -0.00 0.00 0.00 178.44 178.61 1l7b h LEU 78 N 0.00 -0.20 -1.98 1.67 6.46 -1.03 -0.60 115.31 119.62 1l7b h LEU 78 Ca 0.44 0.01 0.34 0.00 -0.12 0.00 0.00 57.88 58.55 1l7b h LEU 78 Cb 1.91 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 41.84 1l7b h LEU 78 CO -0.00 0.22 0.84 -0.33 -0.62 0.00 0.00 178.44 178.54 1l7b h GLU 79 N -0.96 0.01 0.00 1.25 5.08 0.73 0.29 114.58 120.97 1l7b h GLU 79 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1l7b h GLU 79 Cb 0.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1l7b h GLU 79 CO 0.04 0.01 -0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1l7b h ALA 80 N 1.42 0.00 -0.99 3.43 0.00 -1.30 -0.08 119.26 121.74 1l7b h ALA 80 Ca 0.56 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.66 1l7b h ALA 80 Cb 2.21 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 19.82 1l7b h ALA 80 CO -0.01 0.00 -0.23 -0.09 0.00 0.00 0.00 179.25 178.92 1l7b h ARG 81 N -0.45 0.00 -0.14 0.00 9.65 -0.32 0.75 114.38 123.87 1l7b h ARG 81 Ca 0.00 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1l7b h ARG 81 Cb 0.00 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1l7b h ARG 81 CO 0.00 0.00 -0.01 1.15 2.80 0.00 0.00 179.97 183.91 1l7b h THR 82 N 0.00 1.27 0.00 0.20 2.02 -0.58 -3.47 112.91 112.35 1l7b h THR 82 Ca 0.48 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1l7b h THR 82 Cb 0.75 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1l7b h THR 82 CO -1.01 0.26 0.00 0.61 0.37 0.00 0.00 175.52 175.75 1l7b n GLY 83 N -0.22 0.51 0.00 2.16 0.00 0.26 -4.93 105.19 102.96 1l7b n GLY 83 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.81 0.00 -4.43 1.61 4.81 -1.19 -5.02 118.16 111.12 1l7b n LYS 84 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1l7b n LYS 84 Cb 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 1l7b n LYS 84 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1l7b s LYS 85 N 3.28 1.43 0.57 1.64 1.02 -1.26 -4.85 119.74 121.56 1l7b s LYS 85 Ca 0.00 -1.32 0.27 0.00 0.02 0.00 0.00 55.97 54.94 1l7b s LYS 85 Cb 0.00 -1.89 1.67 0.00 -0.52 0.00 0.00 37.83 37.10 1l7b s LYS 85 CO 0.00 0.45 2.21 0.00 -0.92 0.00 0.00 175.35 177.09 1l7b h ALA 86 N 3.97 1.56 0.00 5.17 0.00 -1.95 1.00 119.26 129.01 1l7b h ALA 86 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1l7b h ALA 86 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1l7b h ALA 86 CO 0.39 0.03 -0.36 0.93 0.00 0.00 0.00 179.25 180.24 1l7b h GLU 87 N 0.00 0.00 0.00 0.00 4.39 -2.04 -3.49 114.58 113.44 1l7b h GLU 87 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1l7b h GLU 87 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1l7b h GLU 87 CO 0.00 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.24 1l7b n GLU 88 N -2.82 0.00 0.00 2.33 1.02 0.34 -3.02 120.64 118.49 1l7b n GLU 88 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1l7b n GLU 88 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 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 0.00 0.00 0.00 -4.62 -0.00 -1.26 -4.78 117.00 106.34 1l7b n LEU 89 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 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 -1.04 0.00 -1.66 1.47 0.31 -1.17 -4.61 118.33 111.64 1l7b n VAL 90 Ca 0.00 0.00 -0.50 0.00 -0.01 0.00 0.00 64.34 63.83 1l7b n VAL 90 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 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 0.98 0.00 2.92 0.00 -1.26 -5.26 105.19 102.57 1l7b n GLY 91 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1l7b n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18