#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss1 n SER 0 N 0.00 0.00 -0.22 1.61 7.64 -1.26 -1.94 113.62 119.44 1ss1 n SER 0 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1ss1 n SER 0 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 1ss1 n SER 0 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ss1 n THR 1 N 0.00 1.42 -1.51 0.44 -2.24 -1.26 -5.02 114.28 106.10 1ss1 n THR 1 Ca 0.00 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.29 1ss1 n THR 1 Cb 0.00 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1ss1 n THR 1 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ss1 n ALA 2 N -0.63 0.00 0.00 6.98 0.00 -0.82 -4.67 120.51 121.37 1ss1 n ALA 2 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1ss1 n ALA 2 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 0.00 -3.61 0.00 9.92 -1.26 -4.98 116.55 116.61 1ss1 n ASP 3 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 1ss1 n ASP 3 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1ss1 n ASP 3 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1ss1 s ASN 4 N -1.51 -0.38 0.00 -2.24 -0.87 -1.26 -5.12 114.94 103.57 1ss1 s ASN 4 Ca 0.00 -0.23 0.00 0.00 -1.57 0.00 0.00 52.86 51.06 1ss1 s ASN 4 Cb 0.00 0.57 0.00 0.00 -0.02 0.00 0.00 41.25 41.80 1ss1 s ASN 4 CO 0.00 -0.99 0.00 0.29 -2.57 0.00 0.00 177.10 173.83 1ss1 n LYS 5 N -0.39 0.00 -2.86 -0.60 5.02 -1.26 -4.63 118.16 113.44 1ss1 n LYS 5 Ca -0.10 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.13 1ss1 n LYS 5 Cb 0.62 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.63 1ss1 n LYS 5 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ss1 s PHE 6 N 3.71 -1.33 0.00 2.13 0.40 -1.26 -4.78 117.98 116.85 1ss1 s PHE 6 Ca 0.00 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 1ss1 s PHE 6 Cb 0.00 0.18 0.00 0.00 0.51 0.00 0.00 43.02 43.71 1ss1 s PHE 6 CO 0.00 -1.22 0.00 0.09 0.70 0.00 0.00 175.22 174.79 1ss1 n ASN 7 N 3.05 0.00 0.10 1.36 5.03 -1.26 -2.93 115.26 120.61 1ss1 n ASN 7 Ca 0.19 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.59 1ss1 n ASN 7 Cb 0.55 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.29 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 1ss1 h LYS 8 N 0.00 -0.32 -0.32 3.52 1.57 -2.01 -2.17 116.57 116.85 1ss1 h LYS 8 Ca 0.00 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1ss1 h LYS 8 Cb 0.00 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1ss1 h LYS 8 CO 0.00 -0.21 -0.10 1.05 -0.57 0.00 0.00 179.45 179.62 1ss1 h GLU 9 N -0.99 0.53 0.19 3.15 4.11 -2.02 -3.05 114.58 116.50 1ss1 h GLU 9 Ca -0.03 -0.15 -0.26 0.00 0.07 0.00 0.00 59.36 58.99 1ss1 h GLU 9 Cb 0.25 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 29.47 1ss1 h GLU 9 CO 0.06 0.63 -1.15 0.37 0.07 0.00 0.00 179.01 178.99 1ss1 h GLN 10 N 0.50 0.44 -0.00 1.06 5.75 -1.85 -3.30 115.11 117.71 1ss1 h GLN 10 Ca 0.09 -0.73 0.00 0.00 -0.15 0.00 0.00 58.65 57.87 1ss1 h GLN 10 Cb 0.47 0.27 -0.00 0.00 1.07 0.00 0.00 27.48 29.29 1ss1 h GLN 10 CO 0.03 1.34 0.00 0.37 -2.65 0.00 0.00 178.83 177.92 1ss1 h GLN 11 N -0.08 0.00 -0.96 1.69 4.15 -1.26 -2.15 115.11 116.50 1ss1 h GLN 11 Ca -0.20 0.00 0.22 0.00 0.77 0.00 0.00 58.65 59.44 1ss1 h GLN 11 Cb 1.90 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 29.51 1ss1 h GLN 11 CO 0.22 0.00 0.63 -0.97 -1.93 0.00 0.00 178.83 176.77 1ss1 h ASN 12 N 0.00 0.44 -0.39 -0.69 -1.24 -1.61 0.22 115.58 112.31 1ss1 h ASN 12 Ca 0.00 0.06 0.04 0.00 0.71 0.00 0.00 56.30 57.11 1ss1 h ASN 12 Cb 0.01 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.00 1ss1 h ASN 12 CO -0.00 0.15 0.15 0.00 -1.29 0.00 0.00 177.43 176.44 1ss1 h ALA 13 N 1.61 0.47 0.39 1.57 0.00 -1.61 -0.10 119.26 121.60 1ss1 h ALA 13 Ca 0.51 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 1ss1 h ALA 13 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1ss1 h ALA 13 CO -0.22 -0.23 -0.38 0.35 0.00 0.00 0.00 179.25 178.77 1ss1 h PHE 14 N 0.32 -1.02 -0.42 0.00 3.57 -0.75 0.39 116.94 119.03 1ss1 h PHE 14 Ca 0.18 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1ss1 h PHE 14 Cb 0.14 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1ss1 h PHE 14 CO -0.13 -0.53 0.27 -1.49 -2.23 0.00 0.00 178.31 174.20 1ss1 h TRP 15 N -0.79 0.51 0.22 0.41 4.06 -1.34 0.43 115.95 119.45 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 0.70 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1ss1 h TRP 15 CO -0.20 0.32 -0.11 1.05 -3.56 0.00 0.00 178.44 175.94 1ss1 h GLU 16 N 0.55 -0.29 -0.86 0.49 -0.00 -0.90 0.68 114.58 114.25 1ss1 h GLU 16 Ca 0.16 0.02 0.16 0.00 -0.00 0.00 0.00 59.36 59.70 1ss1 h GLU 16 Cb -0.04 0.07 -0.10 0.00 -0.00 0.00 0.00 28.75 28.67 1ss1 h GLU 16 CO -0.05 -0.04 0.43 0.82 -0.00 0.00 0.00 179.01 180.18 1ss1 h ILE 17 N -0.52 0.68 -0.14 -1.06 1.08 -0.01 0.18 117.51 117.71 1ss1 h ILE 17 Ca -0.03 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 64.20 1ss1 h ILE 17 Cb 0.39 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1ss1 h ILE 17 CO 0.05 0.11 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.46 1ss1 h LEU 18 N 0.58 0.32 0.48 1.44 -0.00 0.11 -3.30 115.31 114.93 1ss1 h LEU 18 Ca 0.49 -0.43 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1ss1 h LEU 18 Cb 0.74 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1ss1 h LEU 18 CO -0.40 0.68 -0.23 0.45 -0.00 0.00 0.00 178.44 178.94 1ss1 h HIS 19 N -0.04 -0.59 -5.08 1.13 3.86 -0.23 -3.45 115.15 110.75 1ss1 h HIS 19 Ca 0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1ss1 h HIS 19 Cb 0.56 0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1ss1 h HIS 19 CO 0.07 -0.29 0.00 1.28 0.86 0.00 0.00 177.93 179.85 1ss1 n LEU 20 N -5.29 0.00 -4.56 2.43 4.77 0.58 -4.65 117.00 110.28 1ss1 n LEU 20 Ca -0.11 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.62 1ss1 n LEU 20 Cb 0.30 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1ss1 n LEU 20 CO 0.33 0.00 1.38 -2.84 -1.33 0.00 0.00 177.39 174.93 1ss1 s PRO 21 N -3.38 2.26 0.00 3.23 0.02 -1.26 -1.55 135.00 134.31 1ss1 s PRO 21 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 61.00 61.16 1ss1 s PRO 21 Cb 0.00 -4.88 0.00 0.00 0.02 0.00 0.00 34.50 29.64 1ss1 s PRO 21 CO 0.00 -3.62 0.00 0.09 -0.33 0.00 0.00 177.00 173.14 1ss1 n ASN 22 N 15.33 0.00 -4.32 2.53 5.03 -1.26 -4.99 115.26 127.59 1ss1 n ASN 22 Ca 0.40 0.00 -0.22 0.00 0.87 0.00 0.00 54.58 55.63 1ss1 n ASN 22 Cb 0.47 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 39.11 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ss1 s LEU 23 N 0.00 2.41 -0.32 3.41 0.20 -0.60 -4.10 118.68 119.67 1ss1 s LEU 23 Ca 0.00 -0.82 -0.29 0.00 0.69 0.00 0.00 54.13 53.70 1ss1 s LEU 23 Cb 0.00 -0.82 -0.07 0.00 -0.43 0.00 0.00 46.19 44.87 1ss1 s LEU 23 CO 0.00 -0.03 2.27 0.59 -0.29 0.00 0.00 176.35 178.90 1ss1 n ASN 24 N 0.47 2.73 0.27 3.68 4.13 -1.26 -4.76 115.26 120.52 1ss1 n ASN 24 Ca -0.15 0.11 0.18 0.00 1.68 0.00 0.00 54.58 56.40 1ss1 n ASN 24 Cb 0.56 -1.48 0.87 0.00 -1.54 0.00 0.00 39.78 38.20 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 15.30 0.00 0.00 3.52 -0.00 -1.97 1.36 114.58 132.78 1ss1 h GLU 25 Ca -0.33 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 58.92 1ss1 h GLU 25 Cb 1.27 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.00 1ss1 h GLU 25 CO 1.02 0.00 -0.50 1.05 -0.00 0.00 0.00 179.01 180.58 1ss1 h GLU 26 N 0.00 0.00 -0.03 1.06 4.11 -2.00 -0.59 114.58 117.13 1ss1 h GLU 26 Ca 0.05 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.27 1ss1 h GLU 26 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ss1 h GLU 26 CO -0.00 0.50 -0.86 1.96 0.07 0.00 0.00 179.01 180.68 1ss1 h GLN 27 N 0.00 0.42 0.67 1.06 1.08 0.14 -2.38 115.11 116.10 1ss1 h GLN 27 Ca -0.01 -0.41 -0.03 0.00 -1.45 0.00 0.00 58.65 56.76 1ss1 h GLN 27 Cb 0.96 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 1ss1 h GLN 27 CO 0.07 1.06 -0.42 0.00 -0.95 0.00 0.00 178.83 178.59 1ss1 h ARG 28 N 0.26 -0.99 -0.42 1.46 3.08 -0.44 -0.12 114.38 117.21 1ss1 h ARG 28 Ca -0.06 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1ss1 h ARG 28 Cb 1.47 0.22 -0.09 0.00 0.08 0.00 0.00 29.97 31.66 1ss1 h ARG 28 CO 0.15 -0.66 -0.20 -0.97 -1.07 0.00 0.00 179.97 177.22 1ss1 h ASN 29 N -1.03 -0.69 -0.82 7.04 -1.24 -1.16 0.42 115.58 118.11 1ss1 h ASN 29 Ca -0.08 0.16 0.16 0.00 0.71 0.00 0.00 56.30 57.24 1ss1 h ASN 29 Cb 0.83 0.37 -0.06 0.00 0.73 0.00 0.00 38.32 40.20 1ss1 h ASN 29 CO 0.08 -0.23 0.54 1.23 -1.29 0.00 0.00 177.43 177.76 1ss1 h GLY 30 N -0.12 0.89 1.70 1.57 0.00 -1.16 0.12 103.07 106.06 1ss1 h GLY 30 Ca 0.20 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 1ss1 h GLY 30 CO -0.50 0.06 -0.65 0.74 0.00 0.00 0.00 176.54 176.19 1ss1 h PHE 31 N 0.50 0.40 -0.12 5.60 0.04 0.16 -2.13 116.94 121.40 1ss1 h PHE 31 Ca 0.41 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.98 1ss1 h PHE 31 Cb 0.86 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.94 1ss1 h PHE 31 CO -0.00 0.87 -0.09 0.82 -0.60 0.00 0.00 178.31 179.31 1ss1 h ILE 32 N 0.22 1.34 -0.03 -0.55 2.04 0.18 -0.12 117.51 120.59 1ss1 h ILE 32 Ca -0.01 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 1ss1 h ILE 32 Cb 1.18 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1ss1 h ILE 32 CO 0.11 0.34 0.00 0.06 0.00 0.00 0.00 178.15 178.66 1ss1 h GLN 33 N -0.10 0.06 -0.87 2.37 3.07 -1.23 0.38 115.11 118.79 1ss1 h GLN 33 Ca 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.72 1ss1 h GLN 33 Cb 0.58 -0.01 -0.04 0.00 0.08 0.00 0.00 27.48 28.10 1ss1 h GLN 33 CO 0.02 0.32 0.43 1.03 0.09 0.00 0.00 178.83 180.73 1ss1 h SER 34 N -0.21 1.12 0.30 0.06 0.87 -1.45 -1.85 113.55 112.39 1ss1 h SER 34 Ca 0.01 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1ss1 h SER 34 Cb 0.29 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ss1 h SER 34 CO 0.00 0.93 -0.14 0.25 -0.53 0.00 0.00 176.83 177.34 1ss1 h LEU 35 N 1.23 -0.34 0.33 2.23 5.85 -0.91 -2.86 115.31 120.84 1ss1 h LEU 35 Ca 0.30 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1ss1 h LEU 35 Cb 0.09 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1ss1 h LEU 35 CO -0.04 0.09 -0.49 0.50 -0.34 0.00 0.00 178.44 178.16 1ss1 h LYS 36 N -0.86 -0.82 -0.12 1.25 3.11 -0.19 -1.10 116.57 117.83 1ss1 h LYS 36 Ca -0.04 0.06 0.04 0.00 -2.81 0.00 0.00 60.65 57.89 1ss1 h LYS 36 Cb 0.52 0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.93 1ss1 h LYS 36 CO 0.07 -0.55 0.32 0.38 -2.81 0.00 0.00 179.45 176.86 1ss1 h ASP 37 N -0.85 0.00 -3.05 4.20 3.04 -1.46 -3.34 116.42 114.96 1ss1 h ASP 37 Ca -0.04 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.20 1ss1 h ASP 37 Cb 0.78 0.00 -0.40 0.00 -1.04 0.00 0.00 39.33 38.67 1ss1 h ASP 37 CO -0.15 0.00 -0.76 -0.62 -2.04 0.00 0.00 179.24 175.67 1ss1 s ASP 38 N -4.87 3.72 0.22 4.15 -1.08 -0.42 -4.57 116.67 113.81 1ss1 s ASP 38 Ca -0.04 -1.42 0.01 0.00 -0.52 0.00 0.00 52.55 50.59 1ss1 s ASP 38 Cb 0.12 -0.66 0.19 0.00 -1.46 0.00 0.00 42.92 41.11 1ss1 s ASP 38 CO 0.39 -0.41 1.53 1.55 0.52 0.00 0.00 175.17 178.75 1ss1 h PRO 39 N 8.22 0.36 0.00 4.34 0.13 -1.67 -2.88 132.00 140.50 1ss1 h PRO 39 Ca -0.16 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1ss1 h PRO 39 Cb 1.03 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ss1 h PRO 39 CO 0.44 0.85 0.00 1.03 -0.23 0.00 0.00 178.00 180.09 1ss1 h SER 40 N 0.27 0.00 0.58 1.44 0.87 -1.88 -1.65 113.55 113.18 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 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1ss1 h SER 40 CO 0.10 0.00 -0.43 0.00 -0.53 0.00 0.00 176.83 175.97 1ss1 n GLN 41 N -2.53 0.01 -0.22 2.24 6.02 -1.09 -4.39 117.38 117.41 1ss1 n GLN 41 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.11 1ss1 n GLN 41 Cb 0.20 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.17 1ss1 n GLN 41 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ss1 n SER 42 N -1.51 -0.04 -0.05 1.08 7.64 -0.62 0.84 113.62 120.96 1ss1 n SER 42 Ca 0.06 1.11 -0.12 0.00 1.01 0.00 0.00 58.87 60.92 1ss1 n SER 42 Cb 0.34 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 1ss1 n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ss1 h ALA 43 N 1.31 0.20 -0.40 -0.43 0.00 -1.83 0.30 119.26 118.41 1ss1 h ALA 43 Ca 0.41 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1ss1 h ALA 43 Cb 0.89 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1ss1 h ALA 43 CO -0.60 -0.05 0.13 -0.97 0.00 0.00 0.00 179.25 177.75 1ss1 h ASN 44 N -0.01 0.52 0.00 0.00 -1.24 0.15 0.55 115.58 115.56 1ss1 h ASN 44 Ca 0.04 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 1ss1 h ASN 44 Cb 0.45 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1ss1 h ASN 44 CO 0.01 0.50 -0.00 -0.07 -1.29 0.00 0.00 177.43 176.58 1ss1 h LEU 45 N 0.57 -0.01 0.43 0.34 -0.00 -0.91 -2.94 115.31 112.80 1ss1 h LEU 45 Ca 0.14 -0.87 -0.01 0.00 -0.00 0.00 0.00 57.88 57.14 1ss1 h LEU 45 Cb 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 1ss1 h LEU 45 CO -0.01 0.90 -0.40 0.25 -0.00 0.00 0.00 178.44 179.17 1ss1 h LEU 46 N -0.93 -1.09 -1.23 1.67 5.85 -0.29 0.90 115.31 120.19 1ss1 h LEU 46 Ca -0.00 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1ss1 h LEU 46 Cb 0.88 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 1ss1 h LEU 46 CO 0.00 -0.56 0.54 0.00 -0.34 0.00 0.00 178.44 178.08 1ss1 h ALA 47 N -0.49 1.52 -0.47 1.25 0.00 -1.06 0.31 119.26 120.31 1ss1 h ALA 47 Ca -0.04 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1ss1 h ALA 47 Cb 0.74 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ss1 h ALA 47 CO -0.05 0.39 -0.23 0.93 0.00 0.00 0.00 179.25 180.29 1ss1 h GLU 48 N 0.99 0.99 0.03 0.00 4.39 -1.29 -1.83 114.58 117.87 1ss1 h GLU 48 Ca 0.33 -0.43 -0.27 0.00 0.34 0.00 0.00 59.36 59.33 1ss1 h GLU 48 Cb 0.07 -0.03 0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1ss1 h GLU 48 CO -0.10 1.11 -1.07 0.00 -1.16 0.00 0.00 179.01 177.79 1ss1 h ALA 49 N 0.87 0.09 -0.12 3.43 0.00 -0.28 -1.35 119.26 121.90 1ss1 h ALA 49 Ca 0.11 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ss1 h ALA 49 Cb 0.82 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ss1 h ALA 49 CO 0.07 0.66 0.06 0.87 0.00 0.00 0.00 179.25 180.91 1ss1 h LYS 50 N 0.34 0.17 -0.25 0.00 1.79 -0.41 -0.36 116.57 117.85 1ss1 h LYS 50 Ca -0.14 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.17 1ss1 h LYS 50 Cb 1.73 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 32.34 1ss1 h LYS 50 CO 0.21 0.24 -0.35 0.87 -1.08 0.00 0.00 179.45 179.34 1ss1 h LYS 51 N 0.06 0.67 -0.27 3.15 1.57 -1.43 -3.15 116.57 117.17 1ss1 h LYS 51 Ca 0.04 -0.39 0.04 0.00 -1.87 0.00 0.00 60.65 58.47 1ss1 h LYS 51 Cb 0.13 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1ss1 h LYS 51 CO -0.00 1.01 0.05 1.25 -0.57 0.00 0.00 179.45 181.19 1ss1 h LEU 52 N 0.39 0.01 -0.35 2.94 5.85 -1.17 -1.96 115.31 121.02 1ss1 h LEU 52 Ca 0.03 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.87 1ss1 h LEU 52 Cb 0.93 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 1ss1 h LEU 52 CO 0.08 0.04 -0.20 -1.13 -0.34 0.00 0.00 178.44 176.89 1ss1 h ASN 53 N 0.16 -0.68 0.31 1.25 -0.73 -1.08 -1.16 115.58 113.66 1ss1 h ASN 53 Ca 0.13 0.15 -0.01 0.00 1.87 0.00 0.00 56.30 58.43 1ss1 h ASN 53 Cb 0.13 0.35 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1ss1 h ASN 53 CO -0.17 -0.24 -0.17 0.44 -0.37 0.00 0.00 177.43 176.93 1ss1 h ASP 54 N -0.15 -0.40 -0.45 1.15 3.32 -1.45 0.62 116.42 119.05 1ss1 h ASP 54 Ca 0.18 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.34 1ss1 h ASP 54 Cb 0.42 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1ss1 h ASP 54 CO -0.44 -0.28 0.31 0.00 -1.72 0.00 0.00 179.24 177.11 1ss1 h ALA 55 N 0.23 2.20 -0.03 3.45 0.00 -0.99 -2.14 119.26 121.99 1ss1 h ALA 55 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ss1 h ALA 55 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ss1 h ALA 55 CO 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1ss1 n GLN 56 N -4.45 1.07 -4.12 0.00 10.64 -0.47 -4.98 117.38 115.08 1ss1 n GLN 56 Ca 0.07 -1.39 -0.35 0.00 -1.83 0.00 0.00 57.00 53.50 1ss1 n GLN 56 Cb 0.40 -1.28 -0.10 0.00 -0.86 0.00 0.00 30.24 28.41 1ss1 n GLN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ss1 s ALA 57 N -1.20 3.37 0.05 2.61 0.00 0.21 -4.95 121.76 121.85 1ss1 s ALA 57 Ca 0.17 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1ss1 s ALA 57 Cb 0.12 -1.79 -0.26 0.00 0.00 0.00 0.00 23.12 21.19 1ss1 s ALA 57 CO 0.18 0.31 1.02 -1.00 0.00 0.00 0.00 175.76 176.27 1ss1 h PRO 58 N 6.22 0.19 0.00 0.00 0.13 -1.86 -3.45 132.00 133.23 1ss1 h PRO 58 Ca -0.41 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1ss1 h PRO 58 Cb 1.18 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ss1 h PRO 58 CO 0.65 1.08 0.00 1.63 -0.23 0.00 0.00 178.00 181.14 1ss1 n LYS 59 N -3.43 0.00 0.00 0.86 4.76 -1.26 -5.21 118.16 113.88 1ss1 n LYS 59 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1ss1 n LYS 59 Cb 1.02 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.21 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03