#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 0.73 0.00 1.61 0.01 -1.26 -4.96 113.70 109.83 1ss1 s SER 0 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1ss1 s SER 0 Cb 0.00 0.86 0.00 0.00 0.21 0.00 0.00 66.02 67.09 1ss1 s SER 0 CO 0.00 -0.33 0.00 0.41 0.41 0.00 0.00 173.24 173.73 1ss1 n THR 1 N 5.34 0.00 -3.07 1.44 -1.04 -1.26 -5.01 114.28 110.68 1ss1 n THR 1 Ca -0.03 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.80 1ss1 n THR 1 Cb 0.49 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.98 1ss1 n THR 1 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ss1 n ALA 2 N 0.00 2.48 -3.20 2.41 0.00 -1.26 -4.95 120.51 115.99 1ss1 n ALA 2 Ca 0.00 -3.47 -0.22 0.00 0.00 0.00 0.00 53.44 49.75 1ss1 n ALA 2 Cb 0.17 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1ss1 n ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ss1 n ASP 3 N 0.17 0.89 0.00 0.00 8.00 -1.26 -5.03 116.55 119.32 1ss1 n ASP 3 Ca 0.23 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.82 1ss1 n ASP 3 Cb 0.67 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1ss1 n ASP 3 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ss1 n ASN 4 N 0.91 0.00 -3.82 -2.24 6.94 -1.26 -4.86 115.26 110.93 1ss1 n ASN 4 Ca 0.24 0.30 -0.27 0.00 -0.02 0.00 0.00 54.58 54.83 1ss1 n ASN 4 Cb 0.56 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 1ss1 n ASN 4 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1ss1 n LYS 5 N -0.48 -1.38 -0.31 -3.83 0.00 -1.26 -4.15 118.16 106.76 1ss1 n LYS 5 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 58.31 58.96 1ss1 n LYS 5 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 35.03 32.84 1ss1 n LYS 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1ss1 n PHE 6 N -2.87 0.00 0.00 5.64 3.72 -1.26 -4.72 117.46 117.97 1ss1 n PHE 6 Ca -0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 1ss1 n PHE 6 Cb 0.67 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1ss1 n PHE 6 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1ss1 n ASN 7 N 1.33 0.00 -0.04 4.37 4.13 -1.26 -3.40 115.26 120.39 1ss1 n ASN 7 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 1ss1 n ASN 7 Cb 0.14 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.38 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1ss1 h LYS 8 N 0.00 0.00 0.00 3.52 6.56 -1.93 -3.35 116.57 121.37 1ss1 h LYS 8 Ca 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ss1 h LYS 8 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1ss1 h LYS 8 CO 0.00 0.00 -0.00 0.93 -2.06 0.00 0.00 179.45 178.32 1ss1 h GLU 9 N -0.82 -0.01 -0.13 3.15 4.39 -1.96 -3.33 114.58 115.88 1ss1 h GLU 9 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 1ss1 h GLU 9 Cb 0.08 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1ss1 h GLU 9 CO 0.00 0.85 -0.79 1.96 -1.16 0.00 0.00 179.01 179.87 1ss1 h GLN 10 N -0.90 0.71 -0.69 2.33 1.08 -1.87 -3.23 115.11 112.53 1ss1 h GLN 10 Ca -0.00 -0.59 0.11 0.00 -1.45 0.00 0.00 58.65 56.73 1ss1 h GLN 10 Cb 0.86 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.37 1ss1 h GLN 10 CO 0.00 1.20 0.46 0.37 -0.95 0.00 0.00 178.83 179.91 1ss1 h GLN 11 N 0.48 0.46 -0.94 1.46 -0.00 -1.69 -1.20 115.11 113.68 1ss1 h GLN 11 Ca -0.05 -0.03 0.20 0.00 -0.00 0.00 0.00 58.65 58.77 1ss1 h GLN 11 Cb 1.41 -0.10 -0.08 0.00 0.00 0.00 0.00 27.48 28.70 1ss1 h GLN 11 CO 0.16 0.31 0.61 -0.97 0.00 0.00 0.00 178.83 178.93 1ss1 h ASN 12 N 0.48 0.52 -0.48 -0.69 -1.24 -1.66 0.10 115.58 112.61 1ss1 h ASN 12 Ca 0.33 0.06 0.06 0.00 0.71 0.00 0.00 56.30 57.46 1ss1 h ASN 12 Cb 0.63 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.59 1ss1 h ASN 12 CO -0.10 0.20 0.17 0.00 -1.29 0.00 0.00 177.43 176.41 1ss1 h ALA 13 N 1.61 0.58 0.37 1.57 0.00 -1.40 -1.90 119.26 120.10 1ss1 h ALA 13 Ca 0.51 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 1ss1 h ALA 13 Cb 1.10 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1ss1 h ALA 13 CO -0.24 -0.22 -0.36 0.35 0.00 0.00 0.00 179.25 178.78 1ss1 h PHE 14 N 0.35 -0.98 -0.70 0.00 3.04 -0.92 0.29 116.94 118.01 1ss1 h PHE 14 Ca 0.23 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.19 1ss1 h PHE 14 Cb 0.23 0.38 -0.03 0.00 2.56 0.00 0.00 35.95 39.09 1ss1 h PHE 14 CO -0.16 -0.51 0.45 -1.49 -2.02 0.00 0.00 178.31 174.58 1ss1 h TRP 15 N -0.75 0.91 0.21 0.41 4.06 -1.44 0.39 115.95 119.74 1ss1 h TRP 15 Ca -0.03 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 1ss1 h TRP 15 Cb 0.68 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1ss1 h TRP 15 CO -0.20 0.59 -0.10 1.05 -3.56 0.00 0.00 178.44 176.21 1ss1 h GLU 16 N 0.96 -0.28 -0.57 0.49 4.11 -1.23 0.11 114.58 118.18 1ss1 h GLU 16 Ca 0.26 0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.81 1ss1 h GLU 16 Cb -0.07 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.15 1ss1 h GLU 16 CO -0.05 0.05 0.08 0.82 0.07 0.00 0.00 179.01 179.97 1ss1 h ILE 17 N -0.63 0.62 -0.64 -1.06 2.04 -0.24 0.28 117.51 117.88 1ss1 h ILE 17 Ca -0.03 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1ss1 h ILE 17 Cb 0.45 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1ss1 h ILE 17 CO 0.05 0.04 0.18 -0.07 0.00 0.00 0.00 178.15 178.35 1ss1 h LEU 18 N 0.20 0.94 -0.12 1.44 -0.00 -0.14 -3.16 115.31 114.47 1ss1 h LEU 18 Ca 0.30 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1ss1 h LEU 18 Cb 0.44 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1ss1 h LEU 18 CO -0.42 0.91 -0.06 -0.74 -0.00 0.00 0.00 178.44 178.14 1ss1 h HIS 19 N 0.93 0.29 0.00 1.13 -0.00 0.22 -3.45 115.15 114.27 1ss1 h HIS 19 Ca 0.20 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1ss1 h HIS 19 Cb 0.32 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1ss1 h HIS 19 CO 0.02 0.59 0.00 1.28 -0.00 0.00 0.00 177.93 179.82 1ss1 n LEU 20 N -4.69 0.00 -4.56 0.26 4.77 0.89 -4.67 117.00 108.99 1ss1 n LEU 20 Ca -0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.54 1ss1 n LEU 20 Cb 0.28 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1ss1 n LEU 20 CO 0.37 0.00 1.96 -2.84 -1.33 0.00 0.00 177.39 175.55 1ss1 s PRO 21 N 0.00 2.37 0.00 3.23 0.02 -1.26 -1.03 135.00 138.33 1ss1 s PRO 21 Ca 0.00 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.54 1ss1 s PRO 21 Cb 0.00 -4.52 0.00 0.00 0.02 0.00 0.00 34.50 30.00 1ss1 s PRO 21 CO 0.00 -2.97 0.00 -1.71 -0.33 0.00 0.00 177.00 171.99 1ss1 n ASN 22 N 14.74 0.00 -4.76 2.53 2.85 -1.26 -4.91 115.26 124.45 1ss1 n ASN 22 Ca 0.34 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.41 1ss1 n ASN 22 Cb 0.52 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.52 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1ss1 s LEU 23 N 0.00 4.44 -0.23 1.20 2.96 -0.20 -4.83 118.68 122.02 1ss1 s LEU 23 Ca 0.00 2.60 -0.34 0.00 -0.22 0.00 0.00 54.13 56.16 1ss1 s LEU 23 Cb 0.00 -3.64 -0.11 0.00 0.50 0.00 0.00 46.19 42.94 1ss1 s LEU 23 CO 0.00 -0.48 2.04 0.59 -1.32 0.00 0.00 176.35 177.18 1ss1 n ASN 24 N 1.10 2.78 -0.10 3.68 4.13 -1.26 -4.77 115.26 120.83 1ss1 n ASN 24 Ca 0.01 0.65 0.16 0.00 1.68 0.00 0.00 54.58 57.07 1ss1 n ASN 24 Cb 0.42 -1.33 0.56 0.00 -1.54 0.00 0.00 39.78 37.89 1ss1 n ASN 24 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1ss1 h GLU 25 N 11.13 0.28 0.00 3.52 9.09 -1.91 1.57 114.58 138.27 1ss1 h GLU 25 Ca -0.39 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 58.98 1ss1 h GLU 25 Cb 1.29 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1ss1 h GLU 25 CO 0.98 0.19 -0.11 1.49 0.05 0.00 0.00 179.01 181.61 1ss1 h GLU 26 N 0.29 0.00 -0.05 1.06 4.57 -2.00 0.29 114.58 118.75 1ss1 h GLU 26 Ca 0.31 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.24 1ss1 h GLU 26 Cb 0.83 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.43 1ss1 h GLU 26 CO -0.08 0.11 -0.95 0.37 -1.18 0.00 0.00 179.01 177.28 1ss1 h GLN 27 N 0.00 0.71 0.55 1.92 5.75 0.18 -2.10 115.11 122.12 1ss1 h GLN 27 Ca -0.00 -0.69 -0.02 0.00 -0.15 0.00 0.00 58.65 57.78 1ss1 h GLN 27 Cb 0.21 0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 1ss1 h GLN 27 CO 0.01 1.28 -0.31 0.00 -2.65 0.00 0.00 178.83 177.17 1ss1 h ARG 28 N 0.43 -0.77 -0.51 1.69 3.08 0.19 -0.64 114.38 117.84 1ss1 h ARG 28 Ca -0.10 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.07 1ss1 h ARG 28 Cb 1.59 0.18 -0.06 0.00 0.08 0.00 0.00 29.97 31.76 1ss1 h ARG 28 CO 0.19 -0.52 0.17 -0.97 -1.07 0.00 0.00 179.97 177.77 1ss1 h ASN 29 N -0.80 0.16 -0.80 7.04 -1.24 -0.62 -0.63 115.58 118.69 1ss1 h ASN 29 Ca -0.07 0.07 0.06 0.00 0.71 0.00 0.00 56.30 57.07 1ss1 h ASN 29 Cb 0.64 0.06 -0.05 0.00 0.73 0.00 0.00 38.32 39.69 1ss1 h ASN 29 CO 0.09 0.12 0.52 1.23 -1.29 0.00 0.00 177.43 178.10 1ss1 h GLY 30 N 0.34 1.11 1.66 1.57 0.00 -1.15 -0.19 103.07 106.41 1ss1 h GLY 30 Ca 0.25 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1ss1 h GLY 30 CO -0.26 0.26 -0.18 0.74 0.00 0.00 0.00 176.54 177.10 1ss1 h PHE 31 N 0.87 0.44 -0.36 5.60 0.04 0.38 -2.09 116.94 121.82 1ss1 h PHE 31 Ca 0.34 -0.07 -0.17 0.00 2.80 0.00 0.00 57.97 60.87 1ss1 h PHE 31 Cb 0.23 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 1ss1 h PHE 31 CO -0.00 0.57 -0.43 0.82 -0.60 0.00 0.00 178.31 178.68 1ss1 h ILE 32 N 0.37 1.27 -0.00 -0.55 2.04 -0.10 -0.08 117.51 120.46 1ss1 h ILE 32 Ca 0.07 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.32 1ss1 h ILE 32 Cb 0.53 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1ss1 h ILE 32 CO 0.03 0.53 -0.00 1.56 0.00 0.00 0.00 178.15 180.28 1ss1 h GLN 33 N 0.74 0.01 -0.54 2.37 4.20 -1.08 0.96 115.11 121.78 1ss1 h GLN 33 Ca 0.05 -0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1ss1 h GLN 33 Cb 1.02 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 1ss1 h GLN 33 CO 0.10 0.37 -0.05 1.03 -0.67 0.00 0.00 178.83 179.61 1ss1 h SER 34 N -0.35 0.94 -0.08 1.46 0.87 -1.44 -2.31 113.55 112.64 1ss1 h SER 34 Ca 0.00 -0.28 -0.13 0.00 -1.23 0.00 0.00 61.79 60.15 1ss1 h SER 34 Cb 0.36 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1ss1 h SER 34 CO 0.00 1.03 -0.47 0.25 -0.53 0.00 0.00 176.83 177.11 1ss1 h LEU 35 N 0.87 0.56 0.54 2.23 5.85 -0.98 -2.23 115.31 122.15 1ss1 h LEU 35 Ca 0.15 -0.66 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1ss1 h LEU 35 Cb 0.58 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1ss1 h LEU 35 CO 0.04 1.13 -0.47 0.50 -0.34 0.00 0.00 178.44 179.30 1ss1 h LYS 36 N 0.03 -0.96 -0.11 1.25 1.63 0.10 -3.11 116.57 115.40 1ss1 h LYS 36 Ca -0.04 0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1ss1 h LYS 36 Cb 1.12 0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.97 1ss1 h LYS 36 CO 0.10 -0.64 0.06 0.38 -3.45 0.00 0.00 179.45 175.89 1ss1 h ASP 37 N -0.99 0.15 -3.47 4.20 2.03 -1.54 -3.39 116.42 113.40 1ss1 h ASP 37 Ca -0.06 -0.12 -0.72 0.00 -0.73 0.00 0.00 57.03 55.40 1ss1 h ASP 37 Cb 0.85 -0.04 -0.21 0.00 -0.83 0.00 0.00 39.33 39.10 1ss1 h ASP 37 CO -0.02 0.23 -0.40 -0.62 -1.03 0.00 0.00 179.24 177.40 1ss1 s ASP 38 N -5.44 6.12 0.15 4.15 -1.08 -0.84 -4.93 116.67 114.81 1ss1 s ASP 38 Ca -0.14 -0.95 0.15 0.00 -0.52 0.00 0.00 52.55 51.09 1ss1 s ASP 38 Cb 0.06 -2.17 -0.07 0.00 -1.46 0.00 0.00 42.92 39.29 1ss1 s ASP 38 CO 0.69 -0.49 1.14 1.55 0.52 0.00 0.00 175.17 178.57 1ss1 h PRO 39 N 8.66 0.00 0.00 4.34 0.13 -1.77 -3.22 132.00 140.14 1ss1 h PRO 39 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ss1 h PRO 39 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ss1 h PRO 39 CO 0.76 0.48 0.00 1.03 -0.23 0.00 0.00 178.00 180.04 1ss1 h SER 40 N 0.00 0.00 0.48 1.44 0.87 -1.91 -2.29 113.55 112.14 1ss1 h SER 40 Ca -0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1ss1 h SER 40 Cb 1.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1ss1 h SER 40 CO 0.07 0.00 -0.26 0.00 -0.53 0.00 0.00 176.83 176.10 1ss1 n GLN 41 N -2.62 0.37 -0.40 2.24 6.02 -1.22 -4.13 117.38 117.63 1ss1 n GLN 41 Ca 0.03 -0.17 0.39 0.00 -0.01 0.00 0.00 57.00 57.24 1ss1 n GLN 41 Cb 0.34 -1.50 0.73 0.00 1.02 0.00 0.00 30.24 30.83 1ss1 n GLN 41 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ss1 h SER 42 N 0.42 0.00 0.06 1.08 0.87 -1.52 0.61 113.55 115.07 1ss1 h SER 42 Ca 0.00 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 1ss1 h SER 42 Cb 0.46 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1ss1 h SER 42 CO 0.00 0.00 -0.79 0.00 -0.53 0.00 0.00 176.83 175.51 1ss1 h ALA 43 N 1.14 0.01 -0.48 6.23 0.00 -1.83 -0.73 119.26 123.61 1ss1 h ALA 43 Ca 0.65 -0.65 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1ss1 h ALA 43 Cb 2.79 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.63 1ss1 h ALA 43 CO -0.01 0.42 -0.21 -0.91 0.00 0.00 0.00 179.25 178.55 1ss1 h ASN 44 N -0.10 1.00 0.04 0.00 4.21 -0.18 -1.82 115.58 118.71 1ss1 h ASN 44 Ca -0.12 -0.37 -0.16 0.00 1.21 0.00 0.00 56.30 56.87 1ss1 h ASN 44 Cb 1.53 -0.27 0.01 0.00 -1.12 0.00 0.00 38.32 38.47 1ss1 h ASN 44 CO 0.15 1.16 -0.63 -0.07 -1.29 0.00 0.00 177.43 176.75 1ss1 h LEU 45 N 0.84 0.50 0.51 1.61 -0.00 -0.98 -2.68 115.31 115.10 1ss1 h LEU 45 Ca 0.11 -0.81 -0.02 0.00 -0.00 0.00 0.00 57.88 57.16 1ss1 h LEU 45 Cb 0.78 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 1ss1 h LEU 45 CO 0.06 1.25 -0.37 0.25 -0.00 0.00 0.00 178.44 179.63 1ss1 h LEU 46 N -0.20 -0.96 -0.25 1.67 7.12 -1.15 0.18 115.31 121.72 1ss1 h LEU 46 Ca -0.09 0.07 0.03 0.00 0.13 0.00 0.00 57.88 58.02 1ss1 h LEU 46 Cb 1.38 0.30 -0.03 0.00 -0.53 0.00 0.00 40.66 41.78 1ss1 h LEU 46 CO 0.12 -0.55 0.05 0.00 -0.13 0.00 0.00 178.44 177.93 1ss1 h ALA 47 N -0.49 0.26 -1.01 1.25 0.00 -1.47 0.28 119.26 118.09 1ss1 h ALA 47 Ca -0.05 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ss1 h ALA 47 Cb 0.72 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1ss1 h ALA 47 CO 0.02 -0.37 0.66 0.93 0.00 0.00 0.00 179.25 180.49 1ss1 h GLU 48 N 0.15 1.22 -0.20 0.00 4.39 -1.34 0.85 114.58 119.65 1ss1 h GLU 48 Ca 0.12 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 1ss1 h GLU 48 Cb 0.12 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1ss1 h GLU 48 CO -0.15 0.81 -0.50 0.00 -1.16 0.00 0.00 179.01 178.00 1ss1 h ALA 49 N 1.42 0.33 0.48 3.43 0.00 -0.01 -1.06 119.26 123.85 1ss1 h ALA 49 Ca 0.41 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ss1 h ALA 49 Cb 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ss1 h ALA 49 CO -0.14 0.51 -0.23 0.87 0.00 0.00 0.00 179.25 180.26 1ss1 h LYS 50 N 0.39 -0.62 -0.47 0.00 1.79 -0.03 -1.14 116.57 116.49 1ss1 h LYS 50 Ca -0.01 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1ss1 h LYS 50 Cb 1.11 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1ss1 h LYS 50 CO 0.11 -0.32 0.30 0.87 -1.08 0.00 0.00 179.45 179.32 1ss1 h LYS 51 N -0.88 0.63 0.20 3.15 1.57 -0.95 -2.74 116.57 117.56 1ss1 h LYS 51 Ca -0.07 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1ss1 h LYS 51 Cb 0.58 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1ss1 h LYS 51 CO 0.11 0.44 -0.29 1.25 -0.57 0.00 0.00 179.45 180.39 1ss1 h LEU 52 N 0.63 -0.82 -0.37 2.94 5.85 -1.20 -2.05 115.31 120.30 1ss1 h LEU 52 Ca 0.17 0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.05 1ss1 h LEU 52 Cb -0.03 0.30 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 1ss1 h LEU 52 CO -0.03 -0.40 -0.27 -1.13 -0.34 0.00 0.00 178.44 176.27 1ss1 h ASN 53 N -0.56 -0.88 -0.35 1.25 -1.24 -1.08 -1.33 115.58 111.38 1ss1 h ASN 53 Ca 0.01 0.17 0.07 0.00 0.71 0.00 0.00 56.30 57.26 1ss1 h ASN 53 Cb 0.55 0.43 -0.06 0.00 0.73 0.00 0.00 38.32 39.97 1ss1 h ASN 53 CO -0.12 -0.28 -0.04 0.44 -1.29 0.00 0.00 177.43 176.13 1ss1 h ASP 54 N -0.21 -0.24 -0.96 1.15 3.32 -1.31 0.62 116.42 118.80 1ss1 h ASP 54 Ca 0.18 0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.41 1ss1 h ASP 54 Cb 0.49 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.16 1ss1 h ASP 54 CO -0.49 -0.08 0.62 0.00 -1.72 0.00 0.00 179.24 177.57 1ss1 h ALA 55 N 1.33 1.51 -0.43 3.45 0.00 -0.55 -2.21 119.26 122.36 1ss1 h ALA 55 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ss1 h ALA 55 Cb 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ss1 h ALA 55 CO -0.33 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1ss1 n GLN 56 N -4.53 2.46 -0.86 0.00 -0.00 -0.60 -4.86 117.38 108.99 1ss1 n GLN 56 Ca 0.16 -2.26 0.00 0.00 -0.00 0.00 0.00 57.00 54.90 1ss1 n GLN 56 Cb 0.25 -1.47 0.00 0.00 -0.00 0.00 0.00 30.24 29.02 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 1.34 0.00 -0.71 2.61 0.00 0.21 -4.89 120.51 119.07 1ss1 n ALA 57 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.38 1ss1 n ALA 57 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1ss1 n ALA 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ss1 n PRO 58 N -0.76 1.57 -2.86 0.00 -0.04 -1.26 -4.68 135.00 126.97 1ss1 n PRO 58 Ca 0.00 -1.39 -0.01 0.00 -0.04 0.00 0.00 63.50 62.07 1ss1 n PRO 58 Cb 0.00 -2.49 -0.00 0.00 -0.04 0.00 0.00 33.50 30.96 1ss1 n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ss1 n LYS 59 N 5.09 -1.51 0.00 0.54 5.02 -1.26 -5.15 118.16 120.89 1ss1 n LYS 59 Ca 0.39 1.33 0.00 0.00 -2.02 0.00 0.00 58.31 58.01 1ss1 n LYS 59 Cb 0.18 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88