#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 -5.62 -3.93 1.61 7.64 -1.26 -4.98 113.62 107.07 1ss1 n SER 0 Ca 0.00 -0.03 -0.27 0.00 1.01 0.00 0.00 58.87 59.58 1ss1 n SER 0 Cb 0.00 -4.65 -0.17 0.00 -1.01 0.00 0.00 64.21 58.39 1ss1 n SER 0 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ss1 s THR 1 N -2.98 1.09 -4.60 0.44 -4.23 -1.26 -5.07 115.64 99.02 1ss1 s THR 1 Ca 0.01 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1ss1 s THR 1 Cb -0.01 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.75 1ss1 s THR 1 CO 0.02 0.37 0.00 0.00 -0.54 0.00 0.00 174.62 174.47 1ss1 n ALA 2 N 4.75 0.00 0.00 3.99 0.00 -1.26 -5.02 120.51 122.98 1ss1 n ALA 2 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1ss1 n ALA 2 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1ss1 n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ss1 n ASP 3 N 0.00 1.67 0.00 0.00 -0.08 -1.26 -5.09 116.55 111.80 1ss1 n ASP 3 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ss1 n ASP 3 Cb 0.00 0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.55 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 -1.45 0.00 0.00 1.67 0.23 -1.26 -4.82 115.26 109.62 1ss1 n ASN 4 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1ss1 n ASN 4 Cb 0.19 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 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 0.00 -4.07 -3.83 0.00 -1.26 -4.93 118.16 104.06 1ss1 n LYS 5 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 58.31 57.93 1ss1 n LYS 5 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 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 0.00 -1.18 0.00 5.64 3.01 -1.26 -4.92 117.46 118.76 1ss1 n PHE 6 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1ss1 n PHE 6 Cb 0.00 -2.45 0.00 0.00 -0.01 0.00 0.00 39.48 37.02 1ss1 n PHE 6 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1ss1 n ASN 7 N -1.99 0.00 0.00 4.37 0.23 -1.26 -3.14 115.26 113.46 1ss1 n ASN 7 Ca -0.16 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 53.88 1ss1 n ASN 7 Cb 0.53 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.22 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1ss1 h LYS 8 N 0.00 -0.10 -0.07 -3.83 2.10 -1.99 -2.95 116.57 109.72 1ss1 h LYS 8 Ca 0.00 0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.53 1ss1 h LYS 8 Cb 0.00 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 1ss1 h LYS 8 CO 0.00 -0.07 -0.54 0.93 -2.00 0.00 0.00 179.45 177.77 1ss1 h GLU 9 N -0.94 0.21 0.23 0.07 5.08 -2.02 -3.26 114.58 113.95 1ss1 h GLU 9 Ca -0.01 -0.13 -0.33 0.00 -1.00 0.00 0.00 59.36 57.89 1ss1 h GLU 9 Cb 0.08 0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.38 1ss1 h GLU 9 CO 0.02 0.70 -1.46 1.96 -1.00 0.00 0.00 179.01 179.23 1ss1 h GLN 10 N 0.16 0.48 -0.11 2.33 1.08 -1.85 -3.30 115.11 113.91 1ss1 h GLN 10 Ca 0.00 -0.83 0.03 0.00 -1.45 0.00 0.00 58.65 56.41 1ss1 h GLN 10 Cb 1.01 0.31 -0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1ss1 h GLN 10 CO 0.08 1.39 0.09 0.37 -0.95 0.00 0.00 178.83 179.81 1ss1 h GLN 11 N 0.13 0.00 -0.96 1.46 4.15 -1.46 -1.60 115.11 116.83 1ss1 h GLN 11 Ca -0.24 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.37 1ss1 h GLN 11 Cb 2.13 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 29.74 1ss1 h GLN 11 CO 0.26 0.00 0.61 -0.97 -1.93 0.00 0.00 178.83 176.80 1ss1 h ASN 12 N 0.00 0.62 -0.57 -0.69 -0.73 -1.64 0.13 115.58 112.71 1ss1 h ASN 12 Ca 0.05 0.07 0.02 0.00 1.87 0.00 0.00 56.30 58.31 1ss1 h ASN 12 Cb 0.22 -0.05 -0.04 0.00 0.27 0.00 0.00 38.32 38.73 1ss1 h ASN 12 CO -0.00 0.24 0.35 0.00 -0.37 0.00 0.00 177.43 177.65 1ss1 h ALA 13 N 1.62 0.73 0.74 1.57 0.00 -1.50 0.58 119.26 123.00 1ss1 h ALA 13 Ca 0.52 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.38 1ss1 h ALA 13 Cb 0.99 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ss1 h ALA 13 CO -0.27 0.08 -0.36 0.35 0.00 0.00 0.00 179.25 179.05 1ss1 h PHE 14 N 0.70 -0.93 -0.93 0.00 3.57 -0.88 0.30 116.94 118.77 1ss1 h PHE 14 Ca 0.22 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1ss1 h PHE 14 Cb 0.00 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 1ss1 h PHE 14 CO -0.05 -0.58 0.59 -1.49 -2.23 0.00 0.00 178.31 174.55 1ss1 h TRP 15 N -1.00 1.20 0.18 0.41 4.06 -1.39 0.35 115.95 119.76 1ss1 h TRP 15 Ca -0.10 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 1ss1 h TRP 15 Cb 0.77 -0.40 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1ss1 h TRP 15 CO -0.02 0.77 -0.09 1.05 -3.56 0.00 0.00 178.44 176.60 1ss1 h GLU 16 N 1.27 -0.23 -0.85 0.49 -0.00 -0.80 -2.46 114.58 112.01 1ss1 h GLU 16 Ca 0.34 0.02 0.14 0.00 -0.00 0.00 0.00 59.36 59.85 1ss1 h GLU 16 Cb -0.10 0.05 -0.09 0.00 -0.00 0.00 0.00 28.75 28.61 1ss1 h GLU 16 CO -0.07 0.18 0.45 0.82 -0.00 0.00 0.00 179.01 180.39 1ss1 h ILE 17 N -0.79 0.76 0.53 -1.06 2.04 -0.25 -1.84 117.51 116.90 1ss1 h ILE 17 Ca -0.02 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1ss1 h ILE 17 Cb 0.52 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1ss1 h ILE 17 CO 0.04 0.12 -0.25 -0.07 0.00 0.00 0.00 178.15 177.99 1ss1 h LEU 18 N 0.66 -0.60 0.15 1.44 -0.00 -0.29 -3.26 115.31 113.40 1ss1 h LEU 18 Ca 0.45 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.34 1ss1 h LEU 18 Cb 0.60 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.42 1ss1 h LEU 18 CO -0.34 -0.41 -0.07 -0.74 -0.00 0.00 0.00 178.44 176.87 1ss1 h HIS 19 N -0.73 -0.18 -3.68 1.13 2.76 -1.13 -3.45 115.15 109.88 1ss1 h HIS 19 Ca -0.07 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1ss1 h HIS 19 Cb 0.55 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.57 1ss1 h HIS 19 CO -0.03 -0.09 0.00 1.28 -1.30 0.00 0.00 177.93 177.78 1ss1 n LEU 20 N -5.16 0.00 -4.56 0.26 4.77 -0.72 -4.61 117.00 106.98 1ss1 n LEU 20 Ca -0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.66 1ss1 n LEU 20 Cb 0.11 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1ss1 n LEU 20 CO 0.34 0.00 1.47 -2.84 -1.33 0.00 0.00 177.39 175.03 1ss1 s PRO 21 N -2.33 1.94 0.00 3.23 0.02 -1.26 -1.08 135.00 135.52 1ss1 s PRO 21 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 61.00 61.63 1ss1 s PRO 21 Cb 0.00 -4.75 0.00 0.00 0.02 0.00 0.00 34.50 29.77 1ss1 s PRO 21 CO 0.00 -3.87 0.00 -1.71 -0.33 0.00 0.00 177.00 171.09 1ss1 n ASN 22 N 16.83 0.00 -4.36 2.53 2.85 -1.26 -5.07 115.26 126.78 1ss1 n ASN 22 Ca 0.41 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.65 1ss1 n ASN 22 Cb 0.47 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.38 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 2.45 -0.35 1.20 0.20 -0.24 -4.35 118.68 117.59 1ss1 s LEU 23 Ca 0.00 -0.88 -0.28 0.00 0.69 0.00 0.00 54.13 53.66 1ss1 s LEU 23 Cb 0.00 -0.91 -0.07 0.00 -0.43 0.00 0.00 46.19 44.78 1ss1 s LEU 23 CO 0.00 -0.00 2.31 0.59 -0.29 0.00 0.00 176.35 178.96 1ss1 n ASN 24 N 0.19 2.76 0.21 3.68 4.13 -1.26 -4.76 115.26 120.20 1ss1 n ASN 24 Ca -0.12 -0.08 0.17 0.00 1.68 0.00 0.00 54.58 56.23 1ss1 n ASN 24 Cb 0.57 -1.54 0.83 0.00 -1.54 0.00 0.00 39.78 38.10 1ss1 n ASN 24 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1ss1 h GLU 25 N 16.77 0.00 0.00 3.52 4.81 -1.97 1.24 114.58 138.96 1ss1 h GLU 25 Ca -0.33 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.81 1ss1 h GLU 25 Cb 1.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1ss1 h GLU 25 CO 1.05 0.00 -0.44 0.93 -0.73 0.00 0.00 179.01 179.82 1ss1 h GLU 26 N 0.00 0.00 -0.04 1.92 5.08 -1.99 0.20 114.58 119.75 1ss1 h GLU 26 Ca 0.09 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.20 1ss1 h GLU 26 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1ss1 h GLU 26 CO -0.00 0.44 -0.96 1.96 -1.00 0.00 0.00 179.01 179.45 1ss1 h GLN 27 N 0.00 0.66 0.79 2.33 1.08 0.10 -2.19 115.11 117.88 1ss1 h GLN 27 Ca -0.00 -0.66 -0.04 0.00 -1.45 0.00 0.00 58.65 56.50 1ss1 h GLN 27 Cb 0.85 0.18 0.01 0.00 -0.05 0.00 0.00 27.48 28.46 1ss1 h GLN 27 CO 0.06 1.26 -0.39 0.00 -0.95 0.00 0.00 178.83 178.80 1ss1 h ARG 28 N 0.39 -1.04 -0.45 1.46 3.08 0.09 -0.58 114.38 117.34 1ss1 h ARG 28 Ca -0.10 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.11 1ss1 h ARG 28 Cb 1.60 0.24 -0.09 0.00 0.08 0.00 0.00 29.97 31.79 1ss1 h ARG 28 CO 0.18 -0.69 -0.16 -0.97 -1.07 0.00 0.00 179.97 177.26 1ss1 h ASN 29 N -1.08 -0.57 -0.76 7.04 -1.24 -0.69 0.37 115.58 118.64 1ss1 h ASN 29 Ca -0.11 0.15 0.13 0.00 0.71 0.00 0.00 56.30 57.18 1ss1 h ASN 29 Cb 0.83 0.34 -0.05 0.00 0.73 0.00 0.00 38.32 40.17 1ss1 h ASN 29 CO 0.17 -0.20 0.50 1.23 -1.29 0.00 0.00 177.43 177.84 1ss1 h GLY 30 N -0.06 0.85 1.43 1.57 0.00 -1.21 0.19 103.07 105.84 1ss1 h GLY 30 Ca 0.22 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 1ss1 h GLY 30 CO -0.50 0.10 -0.57 0.74 0.00 0.00 0.00 176.54 176.31 1ss1 h PHE 31 N 0.54 0.76 -0.32 5.60 0.04 0.13 -2.08 116.94 121.60 1ss1 h PHE 31 Ca 0.37 -0.27 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 1ss1 h PHE 31 Cb 0.69 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 1ss1 h PHE 31 CO -0.00 1.02 -0.03 0.82 -0.60 0.00 0.00 178.31 179.52 1ss1 h ILE 32 N 0.46 1.27 -0.02 -0.55 2.04 0.12 0.32 117.51 121.14 1ss1 h ILE 32 Ca 0.00 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1ss1 h ILE 32 Cb 1.12 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1ss1 h ILE 32 CO 0.11 0.33 -0.01 0.06 0.00 0.00 0.00 178.15 178.64 1ss1 h GLN 33 N 0.37 0.04 -0.84 2.37 3.07 -1.25 0.76 115.11 119.62 1ss1 h GLN 33 Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.78 1ss1 h GLN 33 Cb 0.50 -0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.02 1ss1 h GLN 33 CO 0.02 0.48 0.44 1.03 0.09 0.00 0.00 178.83 180.89 1ss1 h SER 34 N -0.41 1.08 0.02 0.06 0.87 -1.43 -2.18 113.55 111.56 1ss1 h SER 34 Ca 0.00 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1ss1 h SER 34 Cb 0.48 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1ss1 h SER 34 CO 0.00 0.89 -0.01 0.25 -0.53 0.00 0.00 176.83 177.43 1ss1 h LEU 35 N 1.18 -0.02 0.27 2.23 5.85 -0.91 -2.66 115.31 121.25 1ss1 h LEU 35 Ca 0.29 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1ss1 h LEU 35 Cb 0.07 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1ss1 h LEU 35 CO -0.04 0.61 -0.51 0.50 -0.34 0.00 0.00 178.44 178.66 1ss1 h LYS 36 N -0.67 -0.82 -0.15 1.25 3.64 0.63 -2.79 116.57 117.66 1ss1 h LYS 36 Ca -0.00 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1ss1 h LYS 36 Cb 0.63 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 1ss1 h LYS 36 CO 0.00 -0.54 0.03 0.22 -2.27 0.00 0.00 179.45 176.89 1ss1 h ASP 37 N -0.85 0.02 -3.20 4.20 3.58 -1.54 -3.36 116.42 115.27 1ss1 h ASP 37 Ca -0.03 0.02 -0.76 0.00 0.42 0.00 0.00 57.03 56.69 1ss1 h ASP 37 Cb 0.80 0.02 -0.24 0.00 1.72 0.00 0.00 39.33 41.64 1ss1 h ASP 37 CO -0.20 0.03 -0.11 -0.62 -2.88 0.00 0.00 179.24 175.46 1ss1 s ASP 38 N -5.26 6.30 0.19 2.28 -1.08 -1.00 -4.78 116.67 113.32 1ss1 s ASP 38 Ca -0.13 -1.92 -0.02 0.00 -0.52 0.00 0.00 52.55 49.96 1ss1 s ASP 38 Cb 0.08 -2.22 0.10 0.00 -1.46 0.00 0.00 42.92 39.42 1ss1 s ASP 38 CO 0.68 -0.84 1.48 1.55 0.52 0.00 0.00 175.17 178.56 1ss1 h PRO 39 N 8.72 0.48 0.00 4.34 0.13 -1.69 -2.98 132.00 141.00 1ss1 h PRO 39 Ca -0.22 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1ss1 h PRO 39 Cb 1.09 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1ss1 h PRO 39 CO 0.99 0.96 0.00 0.45 -0.23 0.00 0.00 178.00 180.17 1ss1 n SER 40 N -3.90 0.27 -0.06 1.44 2.88 -1.26 -1.72 113.62 111.27 1ss1 n SER 40 Ca -0.04 0.59 0.13 0.00 -1.33 0.00 0.00 58.87 58.22 1ss1 n SER 40 Cb 0.65 -0.64 0.39 0.00 -0.75 0.00 0.00 64.21 63.86 1ss1 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ss1 n GLN 41 N -1.82 0.25 -0.19 -1.46 6.02 -1.12 -4.42 117.38 114.64 1ss1 n GLN 41 Ca 0.02 -0.12 0.14 0.00 -0.01 0.00 0.00 57.00 57.03 1ss1 n GLN 41 Cb 0.13 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.16 1ss1 n GLN 41 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ss1 n SER 42 N -1.27 0.09 0.02 1.08 2.88 -0.70 0.77 113.62 116.49 1ss1 n SER 42 Ca 0.08 0.95 -0.13 0.00 -1.33 0.00 0.00 58.87 58.44 1ss1 n SER 42 Cb 0.33 -0.41 -0.09 0.00 -0.75 0.00 0.00 64.21 63.28 1ss1 n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ss1 h ALA 43 N 1.13 -0.06 -0.66 -1.46 0.00 -1.86 0.42 119.26 116.78 1ss1 h ALA 43 Ca 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ss1 h ALA 43 Cb 1.04 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1ss1 h ALA 43 CO -0.47 -0.33 0.35 -0.91 0.00 0.00 0.00 179.25 177.88 1ss1 h ASN 44 N -0.47 0.81 0.01 0.00 2.35 0.04 0.95 115.58 119.27 1ss1 h ASN 44 Ca -0.01 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1ss1 h ASN 44 Cb 0.43 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1ss1 h ASN 44 CO 0.01 0.67 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.38 1ss1 h LEU 45 N 0.92 -0.01 0.52 1.61 -0.00 -1.10 -2.84 115.31 114.40 1ss1 h LEU 45 Ca 0.23 -0.85 -0.02 0.00 -0.00 0.00 0.00 57.88 57.25 1ss1 h LEU 45 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1ss1 h LEU 45 CO -0.04 0.87 -0.36 0.25 -0.00 0.00 0.00 178.44 179.16 1ss1 h LEU 46 N -0.91 -0.93 -1.17 1.67 5.85 -0.07 -0.10 115.31 119.63 1ss1 h LEU 46 Ca -0.00 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1ss1 h LEU 46 Cb 0.85 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1ss1 h LEU 46 CO 0.00 -0.55 0.57 0.00 -0.34 0.00 0.00 178.44 178.12 1ss1 h ALA 47 N -0.48 1.48 -0.55 1.25 0.00 -0.98 0.31 119.26 120.29 1ss1 h ALA 47 Ca -0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1ss1 h ALA 47 Cb 0.71 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ss1 h ALA 47 CO 0.03 0.42 0.03 0.93 0.00 0.00 0.00 179.25 180.66 1ss1 h GLU 48 N 1.05 0.95 -0.00 0.00 4.39 -1.24 -0.65 114.58 119.08 1ss1 h GLU 48 Ca 0.35 -0.29 -0.26 0.00 0.34 0.00 0.00 59.36 59.50 1ss1 h GLU 48 Cb 0.07 -0.09 0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1ss1 h GLU 48 CO -0.11 0.95 -1.03 0.00 -1.16 0.00 0.00 179.01 177.65 1ss1 h ALA 49 N 0.97 0.13 -0.25 3.43 0.00 -0.44 -1.26 119.26 121.84 1ss1 h ALA 49 Ca 0.16 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 1ss1 h ALA 49 Cb 0.50 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ss1 h ALA 49 CO 0.02 0.68 -0.12 0.87 0.00 0.00 0.00 179.25 180.71 1ss1 h LYS 50 N 0.39 0.42 0.14 0.00 1.79 -0.37 -1.48 116.57 117.46 1ss1 h LYS 50 Ca -0.13 -0.11 -0.30 0.00 -2.18 0.00 0.00 60.65 57.93 1ss1 h LYS 50 Cb 1.69 -0.05 0.03 0.00 -1.58 0.00 0.00 32.23 32.31 1ss1 h LYS 50 CO 0.20 0.54 -1.27 0.87 -1.08 0.00 0.00 179.45 178.71 1ss1 h LYS 51 N 0.39 0.53 0.45 3.15 1.57 -1.13 -3.22 116.57 118.32 1ss1 h LYS 51 Ca 0.08 -0.76 -0.02 0.00 -1.87 0.00 0.00 60.65 58.07 1ss1 h LYS 51 Cb 0.45 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1ss1 h LYS 51 CO 0.03 1.34 -0.22 1.25 -0.57 0.00 0.00 179.45 181.28 1ss1 h LEU 52 N 0.21 -0.51 -0.95 2.94 7.12 -0.95 -0.17 115.31 123.00 1ss1 h LEU 52 Ca -0.18 0.01 0.18 0.00 0.13 0.00 0.00 57.88 58.02 1ss1 h LEU 52 Cb 1.95 0.13 -0.11 0.00 -0.53 0.00 0.00 40.66 42.11 1ss1 h LEU 52 CO 0.23 -0.36 0.55 -1.13 -0.13 0.00 0.00 178.44 177.60 1ss1 h ASN 53 N -0.61 0.68 1.11 1.25 -0.73 -1.40 0.31 115.58 116.19 1ss1 h ASN 53 Ca -0.06 0.10 -0.13 0.00 1.87 0.00 0.00 56.30 58.08 1ss1 h ASN 53 Cb 0.47 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 1ss1 h ASN 53 CO 0.10 0.23 -0.60 -2.24 -0.37 0.00 0.00 177.43 174.56 1ss1 h ASP 54 N 0.69 0.00 1.09 1.15 3.04 -1.51 0.43 116.42 121.30 1ss1 h ASP 54 Ca 0.55 0.00 -0.19 0.00 -3.24 0.00 0.00 57.03 54.15 1ss1 h ASP 54 Cb 0.86 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.12 1ss1 h ASP 54 CO -0.39 0.60 -0.92 0.00 -2.04 0.00 0.00 179.24 176.49 1ss1 h ALA 55 N 1.40 0.42 -0.01 4.15 0.00 0.10 -3.34 119.26 121.99 1ss1 h ALA 55 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1ss1 h ALA 55 Cb 1.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ss1 h ALA 55 CO 0.08 1.13 -0.05 0.00 0.00 0.00 0.00 179.25 180.41 1ss1 n GLN 56 N -3.32 0.85 -4.23 0.00 10.64 0.84 -5.01 117.38 117.15 1ss1 n GLN 56 Ca 0.00 -0.89 -0.20 0.00 -1.83 0.00 0.00 57.00 54.08 1ss1 n GLN 56 Cb 0.90 -1.13 -0.12 0.00 -0.86 0.00 0.00 30.24 29.03 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 -0.90 1.37 -0.97 2.61 0.00 0.15 -4.97 121.76 119.05 1ss1 s ALA 57 Ca 0.09 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 1ss1 s ALA 57 Cb 0.07 -0.15 -0.10 0.00 0.00 0.00 0.00 23.12 22.95 1ss1 s ALA 57 CO 0.14 0.23 2.07 -0.35 0.00 0.00 0.00 175.76 177.85 1ss1 n PRO 58 N 1.28 1.97 -0.14 0.00 -0.04 -1.26 -4.46 135.00 132.35 1ss1 n PRO 58 Ca -0.20 -1.95 -0.11 0.00 -0.04 0.00 0.00 63.50 61.20 1ss1 n PRO 58 Cb 0.54 -2.91 -0.06 0.00 -0.04 0.00 0.00 33.50 31.03 1ss1 n PRO 58 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1ss1 h LYS 59 N 7.11 -0.33 0.00 0.54 5.09 -1.83 -3.52 116.57 123.62 1ss1 h LYS 59 Ca 0.49 0.02 0.00 0.00 0.09 0.00 0.00 60.65 61.25 1ss1 h LYS 59 Cb 0.56 0.07 0.00 0.00 0.10 0.00 0.00 32.23 32.96 1ss1 h LYS 59 CO 1.85 -0.22 0.00 0.00 -2.09 0.00 0.00 179.45 178.99