#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss1 s SER 0 N 0.00 4.88 0.00 1.61 0.01 -1.26 -4.74 113.70 114.19 1ss1 s SER 0 Ca 0.00 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1ss1 s SER 0 Cb 0.00 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.07 1ss1 s SER 0 CO 0.00 0.23 0.00 0.41 0.41 0.00 0.00 173.24 174.29 1ss1 n THR 1 N 1.03 0.00 -1.02 1.44 -1.04 -1.26 -5.04 114.28 108.38 1ss1 n THR 1 Ca -0.13 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.59 1ss1 n THR 1 Cb 0.52 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 69.22 1ss1 n THR 1 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ss1 s ALA 2 N 0.00 0.77 -0.61 2.41 0.00 -1.26 -4.96 121.76 118.11 1ss1 s ALA 2 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1ss1 s ALA 2 Cb 0.00 -3.17 0.42 0.00 0.00 0.00 0.00 23.12 20.36 1ss1 s ALA 2 CO 0.00 -2.97 1.71 -3.47 0.00 0.00 0.00 175.76 171.03 1ss1 n ASP 3 N -4.29 6.60 0.00 0.00 -0.08 -1.26 -4.96 116.55 112.56 1ss1 n ASP 3 Ca 0.05 -3.78 0.00 0.00 -1.51 0.00 0.00 54.79 49.55 1ss1 n ASP 3 Cb 0.56 -0.79 0.00 0.00 2.34 0.00 0.00 41.12 43.23 1ss1 n ASP 3 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1ss1 n ASN 4 N -0.69 0.00 0.00 1.67 0.23 -1.26 -4.62 115.26 110.59 1ss1 n ASN 4 Ca 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.57 1ss1 n ASN 4 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 1ss1 n ASN 4 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1ss1 n LYS 5 N 0.00 -0.55 0.00 -3.83 4.81 -1.26 -4.80 118.16 112.52 1ss1 n LYS 5 Ca 0.00 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1ss1 n LYS 5 Cb 0.00 -4.34 0.00 0.00 0.02 0.00 0.00 35.03 30.71 1ss1 n LYS 5 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1ss1 n PHE 6 N -1.75 0.00 0.00 5.64 3.01 -1.26 -4.91 117.46 118.19 1ss1 n PHE 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ss1 n PHE 6 Cb 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1ss1 n PHE 6 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1ss1 n ASN 7 N 1.22 0.00 -0.24 4.37 5.03 -1.26 -4.26 115.26 120.13 1ss1 n ASN 7 Ca 0.00 0.00 0.15 0.00 0.87 0.00 0.00 54.58 55.60 1ss1 n ASN 7 Cb 0.00 0.00 0.44 0.00 -1.02 0.00 0.00 39.78 39.20 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 1ss1 h LYS 8 N 0.00 0.54 0.04 3.52 2.10 -1.96 0.91 116.57 121.71 1ss1 h LYS 8 Ca 0.00 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1ss1 h LYS 8 Cb 0.00 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 1ss1 h LYS 8 CO 0.00 0.35 -0.02 1.49 -2.00 0.00 0.00 179.45 179.28 1ss1 h GLU 9 N 0.55 -0.05 0.11 0.07 4.81 -1.99 -3.20 114.58 114.88 1ss1 h GLU 9 Ca 0.44 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.49 1ss1 h GLU 9 Cb 0.88 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.28 1ss1 h GLU 9 CO -0.18 0.57 -0.85 1.96 -0.73 0.00 0.00 179.01 179.77 1ss1 h GLN 10 N -0.94 0.22 -0.98 1.92 1.08 -1.71 -3.36 115.11 111.34 1ss1 h GLN 10 Ca -0.01 -0.38 0.07 0.00 -1.45 0.00 0.00 58.65 56.88 1ss1 h GLN 10 Cb 0.64 0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 28.14 1ss1 h GLN 10 CO 0.01 1.18 0.63 0.37 -0.95 0.00 0.00 178.83 180.07 1ss1 h GLN 11 N -0.49 1.11 -0.67 1.46 5.75 0.64 -0.74 115.11 122.17 1ss1 h GLN 11 Ca -0.17 -0.07 0.15 0.00 -0.15 0.00 0.00 58.65 58.41 1ss1 h GLN 11 Cb 1.55 -0.25 -0.04 0.00 1.07 0.00 0.00 27.48 29.81 1ss1 h GLN 11 CO 0.09 0.74 0.46 -0.97 -2.65 0.00 0.00 178.83 176.49 1ss1 h ASN 12 N 1.15 0.25 -0.87 -0.69 -0.73 -1.54 -0.34 115.58 112.80 1ss1 h ASN 12 Ca 0.42 0.01 0.11 0.00 1.87 0.00 0.00 56.30 58.72 1ss1 h ASN 12 Cb 0.17 -0.04 -0.06 0.00 0.27 0.00 0.00 38.32 38.66 1ss1 h ASN 12 CO -0.17 0.13 0.56 0.00 -0.37 0.00 0.00 177.43 177.58 1ss1 h ALA 13 N 1.68 1.71 0.24 1.57 0.00 -1.27 -1.91 119.26 121.28 1ss1 h ALA 13 Ca 0.32 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1ss1 h ALA 13 Cb 0.89 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1ss1 h ALA 13 CO -0.07 0.09 -0.35 0.35 0.00 0.00 0.00 179.25 179.27 1ss1 h PHE 14 N 0.80 -0.94 0.59 0.00 3.57 -1.15 0.60 116.94 120.41 1ss1 h PHE 14 Ca 0.41 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.90 1ss1 h PHE 14 Cb 0.50 0.38 0.01 0.00 2.79 0.00 0.00 35.95 39.63 1ss1 h PHE 14 CO -0.00 -0.47 -0.28 -1.49 -2.23 0.00 0.00 178.31 173.84 1ss1 h TRP 15 N -0.65 -0.73 -0.31 0.41 4.06 -1.59 0.53 115.95 117.67 1ss1 h TRP 15 Ca 0.00 -0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.03 1ss1 h TRP 15 Cb 0.63 0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 29.02 1ss1 h TRP 15 CO -0.25 -0.42 0.31 0.93 -3.56 0.00 0.00 178.44 175.45 1ss1 h GLU 16 N -0.89 0.00 0.10 0.49 4.39 -1.29 1.77 114.58 119.16 1ss1 h GLU 16 Ca -0.08 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.43 1ss1 h GLU 16 Cb 0.64 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1ss1 h GLU 16 CO 0.13 0.00 -0.82 0.82 -1.16 0.00 0.00 179.01 177.98 1ss1 h ILE 17 N 0.00 1.46 0.00 3.13 2.04 0.69 -2.14 117.51 122.69 1ss1 h ILE 17 Ca 0.15 -2.41 -0.09 0.00 1.00 0.00 0.00 64.86 63.51 1ss1 h ILE 17 Cb 0.78 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.82 1ss1 h ILE 17 CO -0.00 0.69 -0.43 0.25 0.00 0.00 0.00 178.15 178.66 1ss1 h LEU 18 N -0.21 0.00 0.12 1.44 5.85 0.38 -3.30 115.31 119.58 1ss1 h LEU 18 Ca -0.13 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1ss1 h LEU 18 Cb 1.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.63 1ss1 h LEU 18 CO 0.16 0.43 -0.06 0.45 -0.34 0.00 0.00 178.44 179.08 1ss1 h HIS 19 N 0.00 -0.15 -4.80 1.25 3.86 0.24 -3.46 115.15 112.09 1ss1 h HIS 19 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ss1 h HIS 19 Cb 0.92 0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1ss1 h HIS 19 CO 0.00 -0.09 0.00 1.28 0.86 0.00 0.00 177.93 179.98 1ss1 n LEU 20 N -4.15 0.00 -4.55 2.43 4.77 -0.80 -4.55 117.00 110.15 1ss1 n LEU 20 Ca -0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.66 1ss1 n LEU 20 Cb 0.06 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1ss1 n LEU 20 CO 0.05 0.00 1.83 -2.65 -1.33 0.00 0.00 177.39 175.29 1ss1 n PRO 21 N -0.56 0.77 0.00 3.23 -0.02 -1.26 -1.08 135.00 136.08 1ss1 n PRO 21 Ca 0.00 -0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 1ss1 n PRO 21 Cb 0.00 -3.24 0.00 0.00 -0.02 0.00 0.00 33.50 30.24 1ss1 n PRO 21 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1ss1 n ASN 22 N 15.82 0.00 -4.45 2.55 5.15 -1.26 -5.05 115.26 128.01 1ss1 n ASN 22 Ca 0.44 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 54.12 1ss1 n ASN 22 Cb 0.45 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.58 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1ss1 s LEU 23 N 0.00 2.57 -0.43 1.20 0.20 -0.24 -3.49 118.68 118.49 1ss1 s LEU 23 Ca 0.00 -0.55 -0.30 0.00 0.69 0.00 0.00 54.13 53.97 1ss1 s LEU 23 Cb 0.00 -1.47 -0.09 0.00 -0.43 0.00 0.00 46.19 44.20 1ss1 s LEU 23 CO 0.00 0.21 2.34 -3.20 -0.29 0.00 0.00 176.35 175.40 1ss1 n ASN 24 N 1.11 2.29 0.26 3.68 5.15 -1.26 -4.73 115.26 121.76 1ss1 n ASN 24 Ca -0.16 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 54.00 1ss1 n ASN 24 Cb 0.52 -1.42 0.86 0.00 -0.53 0.00 0.00 39.78 39.22 1ss1 n ASN 24 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1ss1 h GLU 25 N 15.63 0.00 0.00 1.20 4.11 -1.96 1.53 114.58 135.10 1ss1 h GLU 25 Ca -0.27 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.10 1ss1 h GLU 25 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1ss1 h GLU 25 CO 1.09 0.00 -0.30 1.49 0.07 0.00 0.00 179.01 181.37 1ss1 h GLU 26 N 0.00 0.00 0.04 1.06 4.22 -2.00 0.17 114.58 118.08 1ss1 h GLU 26 Ca 0.05 0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.25 1ss1 h GLU 26 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ss1 h GLU 26 CO -0.00 0.30 -1.04 1.96 -2.18 0.00 0.00 179.01 178.04 1ss1 h GLN 27 N 0.00 0.38 -0.07 1.92 7.50 0.18 -2.31 115.11 122.71 1ss1 h GLN 27 Ca -0.00 -0.47 -0.02 0.00 0.50 0.00 0.00 58.65 58.66 1ss1 h GLN 27 Cb 0.60 0.15 -0.01 0.00 0.05 0.00 0.00 27.48 28.27 1ss1 h GLN 27 CO 0.04 1.15 -0.04 0.00 -1.50 0.00 0.00 178.83 178.48 1ss1 h ARG 28 N 0.19 0.10 0.00 1.46 3.08 0.37 -1.47 114.38 118.12 1ss1 h ARG 28 Ca -0.10 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1ss1 h ARG 28 Cb 1.71 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1ss1 h ARG 28 CO 0.18 0.16 -0.00 -0.97 -1.07 0.00 0.00 179.97 178.27 1ss1 h ASN 29 N 0.10 -0.00 -0.84 7.04 -1.24 -0.67 -3.11 115.58 116.86 1ss1 h ASN 29 Ca 0.02 -0.91 0.19 0.00 0.71 0.00 0.00 56.30 56.32 1ss1 h ASN 29 Cb 0.15 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.14 1ss1 h ASN 29 CO 0.01 0.91 0.57 1.23 -1.29 0.00 0.00 177.43 178.86 1ss1 h GLY 30 N -0.93 0.66 1.88 1.57 0.00 -1.15 0.39 103.07 105.49 1ss1 h GLY 30 Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1ss1 h GLY 30 CO 0.00 0.01 -0.49 0.74 0.00 0.00 0.00 176.54 176.80 1ss1 h PHE 31 N 0.33 0.16 -0.19 5.60 0.04 -1.33 -2.12 116.94 119.43 1ss1 h PHE 31 Ca 0.43 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 61.07 1ss1 h PHE 31 Cb 1.15 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 1ss1 h PHE 31 CO -0.00 0.60 -0.19 0.82 -0.60 0.00 0.00 178.31 178.94 1ss1 h ILE 32 N 0.11 1.33 0.00 -0.55 2.04 -0.18 0.12 117.51 120.38 1ss1 h ILE 32 Ca 0.00 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 1ss1 h ILE 32 Cb 0.91 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1ss1 h ILE 32 CO 0.07 0.41 -0.00 1.56 0.00 0.00 0.00 178.15 180.19 1ss1 h GLN 33 N 0.13 -0.00 -0.62 2.37 4.20 -1.33 1.27 115.11 121.12 1ss1 h GLN 33 Ca 0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1ss1 h GLN 33 Cb 0.73 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1ss1 h GLN 33 CO 0.05 0.25 0.24 1.03 -0.67 0.00 0.00 178.83 179.72 1ss1 h SER 34 N -0.25 0.86 -0.08 1.46 0.87 -1.44 -2.35 113.55 112.61 1ss1 h SER 34 Ca -0.00 -0.17 -0.14 0.00 -1.23 0.00 0.00 61.79 60.25 1ss1 h SER 34 Cb 0.25 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1ss1 h SER 34 CO 0.00 0.80 -0.48 0.25 -0.53 0.00 0.00 176.83 176.87 1ss1 h LEU 35 N 0.86 0.57 0.21 2.23 5.85 -0.69 -3.07 115.31 121.27 1ss1 h LEU 35 Ca 0.20 -0.66 0.01 0.00 0.84 0.00 0.00 57.88 58.27 1ss1 h LEU 35 Cb 0.21 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1ss1 h LEU 35 CO -0.02 1.14 -0.46 0.11 -0.34 0.00 0.00 178.44 178.87 1ss1 h LYS 36 N 0.04 -0.73 0.00 1.25 1.79 0.17 -1.49 116.57 117.59 1ss1 h LYS 36 Ca -0.04 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1ss1 h LYS 36 Cb 1.14 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1ss1 h LYS 36 CO 0.10 -0.49 0.00 -3.47 -1.08 0.00 0.00 179.45 174.51 1ss1 n ASP 37 N -5.49 0.32 -3.68 0.86 2.03 -0.89 -4.62 116.55 105.07 1ss1 n ASP 37 Ca -0.09 0.60 -0.13 0.00 0.52 0.00 0.00 54.79 55.69 1ss1 n ASP 37 Cb 0.41 -0.66 -0.13 0.00 -0.72 0.00 0.00 41.12 40.02 1ss1 n ASP 37 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ss1 s ASP 38 N -3.60 0.11 0.27 1.67 2.15 -0.56 -4.06 116.67 112.65 1ss1 s ASP 38 Ca 0.03 0.60 0.23 0.00 0.43 0.00 0.00 52.55 53.84 1ss1 s ASP 38 Cb 0.07 0.64 0.12 0.00 -0.30 0.00 0.00 42.92 43.45 1ss1 s ASP 38 CO 0.26 -0.22 1.23 1.55 -0.17 0.00 0.00 175.17 177.82 1ss1 h PRO 39 N 7.91 0.00 0.00 4.34 0.13 -1.82 -3.29 132.00 139.28 1ss1 h PRO 39 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1ss1 h PRO 39 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ss1 h PRO 39 CO 0.21 0.00 0.00 1.03 -0.23 0.00 0.00 178.00 179.01 1ss1 h SER 40 N 0.00 0.00 0.99 1.44 0.87 -1.95 -1.93 113.55 112.97 1ss1 h SER 40 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ss1 h SER 40 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1ss1 h SER 40 CO 0.00 0.00 -0.73 1.56 -0.53 0.00 0.00 176.83 177.13 1ss1 h GLN 41 N 0.00 0.00 -1.29 2.24 4.20 -1.91 -3.38 115.11 114.97 1ss1 h GLN 41 Ca 0.00 0.00 0.46 0.00 0.06 0.00 0.00 58.65 59.17 1ss1 h GLN 41 Cb 0.40 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.03 1ss1 h GLN 41 CO 0.00 0.00 0.81 -1.13 -0.67 0.00 0.00 178.83 177.84 1ss1 n SER 42 N -2.39 0.24 0.01 1.46 3.41 -0.72 0.35 113.62 115.98 1ss1 n SER 42 Ca 0.02 1.45 -0.18 0.00 -0.26 0.00 0.00 58.87 59.90 1ss1 n SER 42 Cb 0.49 -0.71 -0.12 0.00 -0.26 0.00 0.00 64.21 63.61 1ss1 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ss1 h ALA 43 N 1.69 0.04 -0.36 7.33 0.00 -1.80 -1.30 119.26 124.85 1ss1 h ALA 43 Ca 0.87 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 1ss1 h ALA 43 Cb 2.70 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 20.53 1ss1 h ALA 43 CO -0.54 0.35 -0.22 -0.97 0.00 0.00 0.00 179.25 177.87 1ss1 h ASN 44 N -0.16 0.72 0.01 0.00 -1.24 -0.36 -1.60 115.58 112.96 1ss1 h ASN 44 Ca -0.09 -0.25 -0.13 0.00 0.71 0.00 0.00 56.30 56.53 1ss1 h ASN 44 Cb 1.37 -0.20 0.01 0.00 0.73 0.00 0.00 38.32 40.24 1ss1 h ASN 44 CO 0.12 0.93 -0.53 -0.07 -1.29 0.00 0.00 177.43 176.59 1ss1 h LEU 45 N 0.62 0.45 -1.29 0.34 4.07 -0.33 -1.57 115.31 117.60 1ss1 h LEU 45 Ca 0.09 -0.78 -0.05 0.00 0.08 0.00 0.00 57.88 57.21 1ss1 h LEU 45 Cb 0.71 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1ss1 h LEU 45 CO 0.05 1.18 -0.08 -0.07 -1.08 0.00 0.00 178.44 178.44 1ss1 h LEU 46 N -0.23 0.36 0.01 1.67 -0.00 -1.24 0.46 115.31 116.34 1ss1 h LEU 46 Ca -0.07 -0.07 -0.17 0.00 -0.00 0.00 0.00 57.88 57.57 1ss1 h LEU 46 Cb 1.27 -0.09 0.01 0.00 -0.00 0.00 0.00 40.66 41.85 1ss1 h LEU 46 CO 0.10 0.49 -0.68 0.00 -0.00 0.00 0.00 178.44 178.35 1ss1 h ALA 47 N 1.56 0.07 -0.22 1.53 0.00 -1.34 -1.52 119.26 119.34 1ss1 h ALA 47 Ca 0.07 -0.60 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 1ss1 h ALA 47 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ss1 h ALA 47 CO 0.02 0.40 -0.49 1.05 0.00 0.00 0.00 179.25 180.22 1ss1 h GLU 48 N -0.06 0.72 -0.29 0.00 4.11 -1.09 -1.96 114.58 116.01 1ss1 h GLU 48 Ca -0.09 -0.48 -0.08 0.00 0.07 0.00 0.00 59.36 58.78 1ss1 h GLU 48 Cb 1.39 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1ss1 h GLU 48 CO 0.13 1.10 -0.14 0.00 0.07 0.00 0.00 179.01 180.18 1ss1 h ALA 49 N 0.61 0.41 0.41 1.06 0.00 -0.19 -0.43 119.26 121.13 1ss1 h ALA 49 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ss1 h ALA 49 Cb 1.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ss1 h ALA 49 CO 0.11 0.29 -0.20 0.87 0.00 0.00 0.00 179.25 180.33 1ss1 h LYS 50 N 0.35 -0.53 -0.30 0.00 1.57 -1.32 -1.58 116.57 114.76 1ss1 h LYS 50 Ca 0.06 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1ss1 h LYS 50 Cb 0.66 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1ss1 h LYS 50 CO 0.04 -0.25 0.16 1.57 -0.57 0.00 0.00 179.45 180.40 1ss1 h LYS 51 N -0.76 0.41 0.58 3.15 5.09 -1.43 -2.73 116.57 120.88 1ss1 h LYS 51 Ca -0.06 -0.03 -0.03 0.00 0.09 0.00 0.00 60.65 60.62 1ss1 h LYS 51 Cb 0.53 -0.09 0.01 0.00 0.10 0.00 0.00 32.23 32.77 1ss1 h LYS 51 CO 0.09 0.30 -0.28 1.25 -2.09 0.00 0.00 179.45 178.73 1ss1 h LEU 52 N 0.41 -0.66 -0.60 7.07 5.85 -0.88 -2.15 115.31 124.35 1ss1 h LEU 52 Ca 0.11 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1ss1 h LEU 52 Cb 0.02 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.11 1ss1 h LEU 52 CO -0.02 -0.45 -0.11 -1.13 -0.34 0.00 0.00 178.44 176.39 1ss1 h ASN 53 N -0.80 -0.49 0.29 1.25 -1.24 -0.97 0.31 115.58 113.92 1ss1 h ASN 53 Ca -0.08 0.17 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 1ss1 h ASN 53 Cb 0.60 0.35 -0.00 0.00 0.73 0.00 0.00 38.32 40.00 1ss1 h ASN 53 CO 0.13 -0.18 -0.17 0.44 -1.29 0.00 0.00 177.43 176.36 1ss1 h ASP 54 N 0.02 -0.41 -0.20 1.15 3.32 -1.47 0.52 116.42 119.36 1ss1 h ASP 54 Ca 0.30 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1ss1 h ASP 54 Cb 0.46 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1ss1 h ASP 54 CO -0.60 -0.27 0.11 0.00 -1.72 0.00 0.00 179.24 176.76 1ss1 h ALA 55 N 0.27 0.26 -0.18 3.45 0.00 -0.65 -3.05 119.26 119.36 1ss1 h ALA 55 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ss1 h ALA 55 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ss1 h ALA 55 CO 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.08 1ss1 n GLN 56 N -4.89 1.93 -1.35 0.00 -0.00 0.10 -4.94 117.38 108.23 1ss1 n GLN 56 Ca -0.04 -1.39 -0.36 0.00 -0.00 0.00 0.00 57.00 55.21 1ss1 n GLN 56 Cb 0.07 -1.43 -0.14 0.00 -0.00 0.00 0.00 30.24 28.74 1ss1 n GLN 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ss1 n ALA 57 N 0.63 0.29 -0.96 2.61 0.00 0.18 -4.87 120.51 118.38 1ss1 n ALA 57 Ca 0.17 -0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.04 1ss1 n ALA 57 Cb 0.41 -2.05 0.25 0.00 0.00 0.00 0.00 19.45 18.06 1ss1 n ALA 57 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ss1 s PRO 58 N 8.03 -1.43 0.00 0.00 0.02 -1.23 -5.02 135.00 135.37 1ss1 s PRO 58 Ca 1.22 0.00 0.00 0.00 0.02 0.00 0.00 61.00 62.25 1ss1 s PRO 58 Cb -1.12 -1.57 0.00 0.00 0.02 0.00 0.00 34.50 31.84 1ss1 s PRO 58 CO 0.44 -3.86 0.00 1.17 -0.33 0.00 0.00 177.00 174.42 1ss1 n LYS 59 N -4.88 2.87 0.00 5.54 4.81 -1.26 -5.03 118.16 120.22 1ss1 n LYS 59 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1ss1 n LYS 59 Cb 0.59 -0.25 0.00 0.00 0.02 0.00 0.00 35.03 35.40 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57