#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 -3.59 1.61 2.88 -1.26 -5.13 113.62 108.14 1ss1 n SER 0 Ca 0.00 0.04 0.02 0.00 -1.33 0.00 0.00 58.87 57.60 1ss1 n SER 0 Cb 0.00 -0.35 -0.01 0.00 -0.75 0.00 0.00 64.21 63.10 1ss1 n SER 0 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ss1 s THR 1 N -0.70 0.00 0.44 2.46 -4.23 -1.26 -5.17 115.64 107.18 1ss1 s THR 1 Ca 0.00 -0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.42 1ss1 s THR 1 Cb 0.00 -1.68 0.10 0.00 1.34 0.00 0.00 72.50 72.25 1ss1 s THR 1 CO 0.00 0.00 0.22 0.00 -0.54 0.00 0.00 174.62 174.30 1ss1 n ALA 2 N -0.35 -1.32 -2.48 3.99 0.00 -1.26 -4.97 120.51 114.13 1ss1 n ALA 2 Ca -0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 52.96 1ss1 n ALA 2 Cb 0.61 -0.03 0.05 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.16 2.35 -3.53 0.00 -0.08 -1.26 -5.07 116.55 106.80 1ss1 n ASP 3 Ca 0.03 -2.61 -0.13 0.00 -1.51 0.00 0.00 54.79 50.58 1ss1 n ASP 3 Cb 0.15 -0.42 -0.04 0.00 2.34 0.00 0.00 41.12 43.15 1ss1 n ASP 3 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1ss1 s ASN 4 N -3.42 -0.46 0.00 1.67 -0.87 -1.26 -5.08 114.94 105.52 1ss1 s ASN 4 Ca 0.35 0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.70 1ss1 s ASN 4 Cb 0.36 0.53 0.00 0.00 -0.02 0.00 0.00 41.25 42.11 1ss1 s ASN 4 CO -0.04 -0.82 0.06 1.17 -2.57 0.00 0.00 177.10 174.90 1ss1 n LYS 5 N 0.07 0.00 -0.43 -0.60 4.81 -1.26 -4.96 118.16 115.78 1ss1 n LYS 5 Ca -0.17 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1ss1 n LYS 5 Cb 0.62 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.78 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 -1.59 0.00 0.00 5.64 3.01 -1.26 -4.85 117.46 118.41 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 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 1.37 0.00 0.16 4.37 6.94 -1.26 -4.21 115.26 122.63 1ss1 n ASN 7 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.42 1ss1 n ASN 7 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 1ss1 h LYS 8 N 0.00 -0.36 0.00 -3.83 2.10 -1.97 -2.22 116.57 110.29 1ss1 h LYS 8 Ca 0.00 0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1ss1 h LYS 8 Cb 0.00 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1ss1 h LYS 8 CO 0.00 -0.13 -0.00 1.49 -2.00 0.00 0.00 179.45 178.81 1ss1 h GLU 9 N -0.54 -0.00 0.00 0.07 4.81 -1.98 -3.34 114.58 113.60 1ss1 h GLU 9 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ss1 h GLU 9 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1ss1 h GLU 9 CO 0.06 0.92 -0.00 0.37 -0.73 0.00 0.00 179.01 179.63 1ss1 h GLN 10 N -0.94 -0.00 -0.20 1.92 5.75 -1.91 -3.31 115.11 116.40 1ss1 h GLN 10 Ca -0.00 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1ss1 h GLN 10 Cb 0.92 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 1ss1 h GLN 10 CO 0.00 0.78 -0.07 0.37 -2.65 0.00 0.00 178.83 177.26 1ss1 h GLN 11 N -0.99 -0.03 -0.41 1.69 4.15 -1.57 0.43 115.11 118.38 1ss1 h GLN 11 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 1ss1 h GLN 11 Cb 0.79 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 1ss1 h GLN 11 CO 0.00 -0.02 0.39 -2.95 -1.93 0.00 0.00 178.83 174.32 1ss1 h ASN 12 N -0.03 0.00 -0.91 -0.69 -1.07 -1.64 -0.03 115.58 111.20 1ss1 h ASN 12 Ca 0.10 0.00 0.04 0.00 0.07 0.00 0.00 56.30 56.51 1ss1 h ASN 12 Cb 0.18 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.38 1ss1 h ASN 12 CO -0.23 0.00 0.60 0.00 0.07 0.00 0.00 177.43 177.87 1ss1 h ALA 13 N 1.60 1.43 0.19 4.14 0.00 -0.99 -2.20 119.26 123.44 1ss1 h ALA 13 Ca 0.20 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ss1 h ALA 13 Cb 0.98 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1ss1 h ALA 13 CO -0.00 0.47 -0.38 0.35 0.00 0.00 0.00 179.25 179.69 1ss1 h PHE 14 N 1.13 -1.05 -0.07 0.00 3.04 -1.02 0.71 116.94 119.68 1ss1 h PHE 14 Ca 0.37 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.32 1ss1 h PHE 14 Cb 0.04 0.44 -0.00 0.00 2.56 0.00 0.00 35.95 38.98 1ss1 h PHE 14 CO -0.00 -0.50 -0.00 -1.49 -2.02 0.00 0.00 178.31 174.30 1ss1 h TRP 15 N -0.66 0.13 -0.28 0.41 6.55 -1.69 0.52 115.95 120.93 1ss1 h TRP 15 Ca 0.01 -0.02 0.08 0.00 0.95 0.00 0.00 58.89 59.91 1ss1 h TRP 15 Cb 0.66 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.91 1ss1 h TRP 15 CO -0.30 0.40 0.30 1.49 -1.05 0.00 0.00 178.44 179.28 1ss1 h GLU 16 N -0.18 0.00 0.15 0.49 4.22 -1.26 1.59 114.58 119.59 1ss1 h GLU 16 Ca 0.02 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.25 1ss1 h GLU 16 Cb 0.35 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.63 1ss1 h GLU 16 CO 0.00 0.00 -0.89 0.82 -2.18 0.00 0.00 179.01 176.76 1ss1 h ILE 17 N 0.00 1.47 -0.35 2.32 1.08 0.11 -1.91 117.51 120.23 1ss1 h ILE 17 Ca 0.13 -2.52 -0.11 0.00 -0.39 0.00 0.00 64.86 61.97 1ss1 h ILE 17 Cb 0.73 3.13 -0.01 0.00 -3.07 0.00 0.00 36.82 37.60 1ss1 h ILE 17 CO -0.00 0.72 -0.22 0.25 -0.69 0.00 0.00 178.15 178.21 1ss1 h LEU 18 N -0.27 0.69 0.06 1.44 5.85 0.49 -3.32 115.31 120.25 1ss1 h LEU 18 Ca -0.15 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1ss1 h LEU 18 Cb 1.69 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.54 1ss1 h LEU 18 CO 0.17 0.90 -0.03 -0.74 -0.34 0.00 0.00 178.44 178.39 1ss1 h HIS 19 N 0.60 -0.08 -7.25 1.25 2.76 0.19 -3.47 115.15 109.15 1ss1 h HIS 19 Ca 0.09 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.19 1ss1 h HIS 19 Cb 0.70 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.68 1ss1 h HIS 19 CO 0.03 -0.05 -0.10 1.28 -1.30 0.00 0.00 177.93 177.79 1ss1 n LEU 20 N -4.27 -0.02 -4.55 0.26 4.77 -0.72 -4.60 117.00 107.87 1ss1 n LEU 20 Ca -0.01 -0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.62 1ss1 n LEU 20 Cb 0.03 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1ss1 n LEU 20 CO 0.03 0.08 1.54 -2.65 -1.33 0.00 0.00 177.39 175.06 1ss1 n PRO 21 N -1.36 0.73 0.00 3.23 -0.02 -1.26 -0.39 135.00 135.93 1ss1 n PRO 21 Ca -0.01 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.95 1ss1 n PRO 21 Cb 0.06 -3.56 0.00 0.00 -0.02 0.00 0.00 33.50 29.98 1ss1 n PRO 21 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ss1 n ASN 22 N 17.51 0.00 -4.70 2.55 6.94 -1.26 -4.79 115.26 131.51 1ss1 n ASN 22 Ca 0.44 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.66 1ss1 n ASN 22 Cb 0.47 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.80 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1ss1 s LEU 23 N 0.00 3.63 -0.30 -4.53 0.20 0.48 -2.93 118.68 115.22 1ss1 s LEU 23 Ca 0.00 0.11 -0.36 0.00 0.69 0.00 0.00 54.13 54.57 1ss1 s LEU 23 Cb 0.00 -1.95 -0.12 0.00 -0.43 0.00 0.00 46.19 43.69 1ss1 s LEU 23 CO 0.00 0.34 2.06 -3.20 -0.29 0.00 0.00 176.35 175.26 1ss1 n ASN 24 N 1.78 2.35 0.16 3.68 4.05 -1.26 -4.73 115.26 121.29 1ss1 n ASN 24 Ca -0.17 0.62 0.19 0.00 0.45 0.00 0.00 54.58 55.67 1ss1 n ASN 24 Cb 0.53 -1.25 0.79 0.00 1.23 0.00 0.00 39.78 41.09 1ss1 n ASN 24 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1ss1 h GLU 25 N 10.91 0.00 0.00 1.20 4.22 -1.95 1.59 114.58 130.54 1ss1 h GLU 25 Ca -0.34 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.03 1ss1 h GLU 25 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1ss1 h GLU 25 CO 1.00 0.00 -0.33 0.93 -2.18 0.00 0.00 179.01 178.43 1ss1 h GLU 26 N 0.00 0.00 0.01 1.92 5.08 -2.00 0.18 114.58 119.78 1ss1 h GLU 26 Ca 0.13 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.25 1ss1 h GLU 26 Cb 0.78 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1ss1 h GLU 26 CO -0.00 0.33 -0.98 1.96 -1.00 0.00 0.00 179.01 179.32 1ss1 h GLN 27 N 0.00 0.47 0.88 2.33 1.08 0.19 -2.22 115.11 117.83 1ss1 h GLN 27 Ca -0.00 -0.51 -0.04 0.00 -1.45 0.00 0.00 58.65 56.64 1ss1 h GLN 27 Cb 0.64 0.15 0.01 0.00 -0.05 0.00 0.00 27.48 28.23 1ss1 h GLN 27 CO 0.04 1.16 -0.42 0.00 -0.95 0.00 0.00 178.83 178.66 1ss1 h ARG 28 N 0.26 -1.13 -0.20 1.46 3.08 0.42 -0.49 114.38 117.77 1ss1 h ARG 28 Ca -0.09 0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1ss1 h ARG 28 Cb 1.62 0.26 -0.05 0.00 0.08 0.00 0.00 29.97 31.88 1ss1 h ARG 28 CO 0.17 -0.75 -0.11 -0.97 -1.07 0.00 0.00 179.97 177.24 1ss1 h ASN 29 N -1.24 -0.37 -0.82 7.04 -1.24 -0.79 0.22 115.58 118.37 1ss1 h ASN 29 Ca -0.12 0.08 0.16 0.00 0.71 0.00 0.00 56.30 57.14 1ss1 h ASN 29 Cb 0.91 0.20 -0.06 0.00 0.73 0.00 0.00 38.32 40.10 1ss1 h ASN 29 CO 0.20 -0.15 0.55 1.23 -1.29 0.00 0.00 177.43 177.97 1ss1 h GLY 30 N -0.10 0.85 1.22 1.57 0.00 -1.36 0.11 103.07 105.35 1ss1 h GLY 30 Ca 0.11 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 1ss1 h GLY 30 CO -0.26 0.05 -0.14 0.74 0.00 0.00 0.00 176.54 176.93 1ss1 h PHE 31 N 0.47 1.01 -0.15 5.60 0.04 0.72 -2.13 116.94 122.50 1ss1 h PHE 31 Ca 0.41 -0.21 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 1ss1 h PHE 31 Cb 0.92 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.81 1ss1 h PHE 31 CO -0.00 0.98 -0.03 0.82 -0.60 0.00 0.00 178.31 179.48 1ss1 h ILE 32 N 0.80 1.29 -0.01 -0.55 2.04 0.44 -1.06 117.51 120.47 1ss1 h ILE 32 Ca 0.12 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.02 1ss1 h ILE 32 Cb 0.68 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1ss1 h ILE 32 CO 0.05 0.28 -0.01 1.56 0.00 0.00 0.00 178.15 180.03 1ss1 h GLN 33 N -0.02 -0.01 -0.60 2.37 7.50 -1.23 0.40 115.11 123.52 1ss1 h GLN 33 Ca 0.04 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.15 1ss1 h GLN 33 Cb 0.45 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.96 1ss1 h GLN 33 CO 0.01 -0.01 0.23 1.03 -1.50 0.00 0.00 178.83 178.60 1ss1 h SER 34 N -0.01 0.80 0.30 1.46 0.87 -1.42 -1.88 113.55 113.66 1ss1 h SER 34 Ca 0.01 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1ss1 h SER 34 Cb 0.02 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1ss1 h SER 34 CO -0.02 0.72 -0.15 0.25 -0.53 0.00 0.00 176.83 177.11 1ss1 h LEU 35 N 0.86 -0.34 0.58 2.23 5.85 -0.75 -2.51 115.31 121.22 1ss1 h LEU 35 Ca 0.20 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1ss1 h LEU 35 Cb 0.18 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1ss1 h LEU 35 CO -0.02 0.12 -0.50 0.07 -0.34 0.00 0.00 178.44 177.77 1ss1 h LYS 36 N -0.94 -1.02 -0.39 1.25 2.10 -0.20 -1.50 116.57 115.87 1ss1 h LYS 36 Ca -0.04 0.07 0.11 0.00 -2.00 0.00 0.00 60.65 58.79 1ss1 h LYS 36 Cb 0.51 0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 32.05 1ss1 h LYS 36 CO 0.07 -0.68 0.42 -0.44 -2.00 0.00 0.00 179.45 176.82 1ss1 h ASP 37 N -1.06 0.00 -3.07 7.07 5.19 -1.48 -3.32 116.42 119.75 1ss1 h ASP 37 Ca -0.08 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.76 1ss1 h ASP 37 Cb 0.90 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.01 1ss1 h ASP 37 CO -0.02 0.00 -0.76 -0.62 -3.12 0.00 0.00 179.24 174.72 1ss1 s ASP 38 N -5.33 3.92 0.28 6.45 -1.08 -0.58 -4.99 116.67 115.34 1ss1 s ASP 38 Ca -0.04 -1.57 0.06 0.00 -0.52 0.00 0.00 52.55 50.48 1ss1 s ASP 38 Cb 0.15 -0.75 0.41 0.00 -1.46 0.00 0.00 42.92 41.27 1ss1 s ASP 38 CO 0.55 -0.42 1.67 1.55 0.52 0.00 0.00 175.17 179.04 1ss1 h PRO 39 N 8.15 0.22 0.00 4.34 0.13 -1.62 -2.65 132.00 140.57 1ss1 h PRO 39 Ca -0.15 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ss1 h PRO 39 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1ss1 h PRO 39 CO 0.46 0.64 0.00 0.43 -0.23 0.00 0.00 178.00 179.31 1ss1 n SER 40 N -3.99 0.37 0.02 1.44 7.64 -1.26 -1.79 113.62 116.06 1ss1 n SER 40 Ca -0.02 0.61 0.13 0.00 1.01 0.00 0.00 58.87 60.60 1ss1 n SER 40 Cb 0.51 -0.68 0.51 0.00 -1.01 0.00 0.00 64.21 63.54 1ss1 n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ss1 n GLN 41 N -1.93 0.06 -0.06 1.43 6.02 -1.00 -4.45 117.38 117.46 1ss1 n GLN 41 Ca 0.02 0.04 -0.01 0.00 -0.01 0.00 0.00 57.00 57.04 1ss1 n GLN 41 Cb 0.17 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 29.85 1ss1 n GLN 41 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ss1 n SER 42 N -1.67 -0.14 -0.19 1.08 3.41 -0.74 0.47 113.62 115.84 1ss1 n SER 42 Ca 0.06 0.39 -0.01 0.00 -0.26 0.00 0.00 58.87 59.05 1ss1 n SER 42 Cb 0.36 -0.10 0.09 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.08 0.71 -0.23 7.33 0.00 -1.86 0.28 119.26 125.40 1ss1 h ALA 43 Ca 0.02 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1ss1 h ALA 43 Cb 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ss1 h ALA 43 CO -0.13 -0.20 -0.15 -0.91 0.00 0.00 0.00 179.25 177.86 1ss1 h ASN 44 N 0.38 0.38 0.03 0.00 2.35 -0.28 0.86 115.58 119.30 1ss1 h ASN 44 Ca 0.28 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1ss1 h ASN 44 Cb 0.33 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1ss1 h ASN 44 CO -0.29 0.56 -0.01 -0.07 -1.65 0.00 0.00 177.43 175.97 1ss1 h LEU 45 N 0.37 -0.03 -0.74 1.61 -0.00 -0.21 -2.58 115.31 113.72 1ss1 h LEU 45 Ca 0.07 -0.54 -0.10 0.00 -0.00 0.00 0.00 57.88 57.31 1ss1 h LEU 45 Cb 0.48 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 1ss1 h LEU 45 CO 0.03 0.71 -0.11 0.25 -0.00 0.00 0.00 178.44 179.33 1ss1 h LEU 46 N -0.97 0.84 -0.00 1.67 7.12 -0.53 0.19 115.31 123.63 1ss1 h LEU 46 Ca -0.00 -0.26 -0.00 0.00 0.13 0.00 0.00 57.88 57.75 1ss1 h LEU 46 Cb 0.57 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1ss1 h LEU 46 CO 0.01 0.97 -0.00 0.00 -0.13 0.00 0.00 178.44 179.28 1ss1 h ALA 47 N 1.11 0.00 -0.40 1.25 0.00 -0.98 -1.08 119.26 119.17 1ss1 h ALA 47 Ca 0.13 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1ss1 h ALA 47 Cb 0.61 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ss1 h ALA 47 CO 0.04 -0.22 -0.21 0.93 0.00 0.00 0.00 179.25 179.79 1ss1 h GLU 48 N -0.54 0.78 -0.07 0.00 4.39 -1.47 -1.90 114.58 115.78 1ss1 h GLU 48 Ca 0.00 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 1ss1 h GLU 48 Cb 0.55 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1ss1 h GLU 48 CO 0.00 0.92 -0.04 0.00 -1.16 0.00 0.00 179.01 178.74 1ss1 h ALA 49 N 1.08 0.09 0.43 3.43 0.00 -0.68 -1.68 119.26 121.93 1ss1 h ALA 49 Ca 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1ss1 h ALA 49 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ss1 h ALA 49 CO 0.06 -0.15 -0.21 -0.22 0.00 0.00 0.00 179.25 178.73 1ss1 h LYS 50 N -0.25 -0.55 -0.39 0.00 1.63 -1.19 -1.92 116.57 113.88 1ss1 h LYS 50 Ca 0.01 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.91 1ss1 h LYS 50 Cb 0.49 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.20 1ss1 h LYS 50 CO 0.01 -0.34 0.10 0.87 -3.45 0.00 0.00 179.45 176.64 1ss1 h LYS 51 N -0.63 0.23 -0.25 1.90 1.57 -1.42 -2.53 116.57 115.43 1ss1 h LYS 51 Ca -0.06 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1ss1 h LYS 51 Cb 0.47 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 1ss1 h LYS 51 CO 0.10 0.15 -0.08 1.25 -0.57 0.00 0.00 179.45 180.30 1ss1 h LEU 52 N 0.23 -0.28 -1.37 2.94 6.46 -1.22 -1.39 115.31 120.69 1ss1 h LEU 52 Ca 0.19 0.08 0.24 0.00 -0.12 0.00 0.00 57.88 58.27 1ss1 h LEU 52 Cb 0.21 0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 40.22 1ss1 h LEU 52 CO -0.23 -0.10 0.65 -0.55 -0.62 0.00 0.00 178.44 177.59 1ss1 h ASN 53 N -0.03 0.47 0.17 1.25 -1.07 -0.92 0.31 115.58 115.77 1ss1 h ASN 53 Ca 0.12 0.07 -0.01 0.00 0.07 0.00 0.00 56.30 56.56 1ss1 h ASN 53 Cb 0.21 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 1ss1 h ASN 53 CO -0.27 0.13 -0.08 0.44 0.07 0.00 0.00 177.43 177.71 1ss1 h ASP 54 N 0.43 -0.19 -0.62 6.14 5.19 -1.09 0.45 116.42 126.72 1ss1 h ASP 54 Ca 0.56 -0.34 -0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1ss1 h ASP 54 Cb 1.37 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.90 1ss1 h ASP 54 CO -0.27 0.34 0.30 0.00 -3.12 0.00 0.00 179.24 176.48 1ss1 h ALA 55 N -0.25 1.30 -0.01 3.45 0.00 -0.51 -3.13 119.26 120.12 1ss1 h ALA 55 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ss1 h ALA 55 Cb 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ss1 h ALA 55 CO 0.04 0.54 -0.49 0.00 0.00 0.00 0.00 179.25 179.33 1ss1 n GLN 56 N -4.34 1.66 0.00 0.00 -0.00 0.10 -4.88 117.38 109.92 1ss1 n GLN 56 Ca 0.06 -0.55 0.00 0.00 -0.00 0.00 0.00 57.00 56.51 1ss1 n GLN 56 Cb 0.14 -1.28 0.00 0.00 -0.00 0.00 0.00 30.24 29.10 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 -0.55 0.00 -0.00 2.61 0.00 0.16 -3.73 120.51 119.00 1ss1 n ALA 57 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1ss1 n ALA 57 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 1ss1 n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ss1 h PRO 58 N 0.00 -0.21 0.00 0.00 0.13 -1.80 -3.40 132.00 126.72 1ss1 h PRO 58 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1ss1 h PRO 58 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1ss1 h PRO 58 CO 0.00 -0.14 0.00 1.63 -0.23 0.00 0.00 178.00 179.26 1ss1 n LYS 59 N -5.32 0.00 -0.24 0.86 4.76 -1.24 -4.94 118.16 112.03 1ss1 n LYS 59 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1ss1 n LYS 59 Cb 0.24 -0.37 0.00 0.00 -1.84 0.00 0.00 35.03 33.05 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03