#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 7.27 -0.93 1.61 1.04 -1.26 -4.03 113.70 117.41 1ss1 s SER 0 Ca 0.00 1.75 -0.07 0.00 0.48 0.00 0.00 55.95 58.11 1ss1 s SER 0 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 1ss1 s SER 0 CO 0.00 -0.34 0.77 0.35 0.98 0.00 0.00 173.24 175.00 1ss1 n THR 1 N 3.97 -7.98 -1.25 2.02 -2.24 -1.26 -4.74 114.28 102.80 1ss1 n THR 1 Ca 0.07 -0.68 -0.30 0.00 -2.27 0.00 0.00 64.05 60.87 1ss1 n THR 1 Cb 0.49 -5.68 -0.10 0.00 -2.10 0.00 0.00 70.33 62.94 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 -2.87 1.02 -3.72 6.98 0.00 -1.26 -4.77 120.51 115.90 1ss1 n ALA 2 Ca -0.08 -2.63 -0.34 0.00 0.00 0.00 0.00 53.44 50.39 1ss1 n ALA 2 Cb 0.58 -3.53 -0.08 0.00 0.00 0.00 0.00 19.45 16.41 1ss1 n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ss1 s ASP 3 N 7.31 5.57 0.25 0.00 1.01 -1.26 -4.92 116.67 124.63 1ss1 s ASP 3 Ca 0.73 -3.63 0.05 0.00 0.71 0.00 0.00 52.55 50.41 1ss1 s ASP 3 Cb 0.05 -1.83 0.28 0.00 1.01 0.00 0.00 42.92 42.43 1ss1 s ASP 3 CO 0.23 -0.18 0.94 -0.46 0.21 0.00 0.00 175.17 175.91 1ss1 n ASN 4 N 2.40 0.13 0.00 0.27 6.94 -1.26 -4.72 115.26 119.02 1ss1 n ASN 4 Ca 0.19 0.35 0.00 0.00 -0.02 0.00 0.00 54.58 55.10 1ss1 n ASN 4 Cb 0.36 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 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 -1.72 0.00 -0.24 -3.83 4.81 -1.26 -4.80 118.16 111.11 1ss1 n LYS 5 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ss1 n LYS 5 Cb 0.48 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.98 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 -0.86 0.00 0.00 5.64 3.01 -1.26 -4.74 117.46 119.25 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 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 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 1.06 0.00 -0.04 4.37 6.94 -1.26 -3.77 115.26 122.56 1ss1 n ASN 7 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ss1 n ASN 7 Cb 0.11 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.53 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 0.00 0.01 -3.83 2.10 -1.98 -3.33 116.57 109.54 1ss1 h LYS 8 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ss1 h LYS 8 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1ss1 h LYS 8 CO 0.00 0.00 -0.01 1.49 -2.00 0.00 0.00 179.45 178.93 1ss1 h GLU 9 N -0.82 -0.02 0.17 0.07 4.22 -1.97 -3.19 114.58 113.03 1ss1 h GLU 9 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1ss1 h GLU 9 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ss1 h GLU 9 CO 0.00 0.77 -0.08 0.37 -2.18 0.00 0.00 179.01 177.89 1ss1 h GLN 10 N -0.90 -0.21 -0.47 1.92 5.75 -1.89 -2.41 115.11 116.90 1ss1 h GLN 10 Ca -0.00 0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.63 1ss1 h GLN 10 Cb 0.79 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 1ss1 h GLN 10 CO 0.00 -0.13 0.33 0.37 -2.65 0.00 0.00 178.83 176.75 1ss1 h GLN 11 N -0.24 0.10 -0.78 1.69 4.15 -1.67 -0.73 115.11 117.63 1ss1 h GLN 11 Ca -0.02 -0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.54 1ss1 h GLN 11 Cb 0.18 -0.02 -0.10 0.00 0.21 0.00 0.00 27.48 27.75 1ss1 h GLN 11 CO 0.04 0.06 0.32 -0.97 -1.93 0.00 0.00 178.83 176.35 1ss1 h ASN 12 N 0.10 0.30 -0.49 -0.69 -1.24 -1.41 0.35 115.58 112.51 1ss1 h ASN 12 Ca 0.22 0.11 0.07 0.00 0.71 0.00 0.00 56.30 57.41 1ss1 h ASN 12 Cb 0.75 0.08 -0.06 0.00 0.73 0.00 0.00 38.32 39.83 1ss1 h ASN 12 CO -0.02 0.11 0.17 0.00 -1.29 0.00 0.00 177.43 176.40 1ss1 h ALA 13 N 1.56 0.60 0.39 1.57 0.00 -1.18 -1.25 119.26 120.95 1ss1 h ALA 13 Ca 0.43 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1ss1 h ALA 13 Cb 0.67 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ss1 h ALA 13 CO -0.41 -0.22 -0.35 0.35 0.00 0.00 0.00 179.25 178.62 1ss1 h PHE 14 N 0.35 -0.93 -0.60 0.00 3.04 -0.39 0.41 116.94 118.82 1ss1 h PHE 14 Ca 0.24 0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.21 1ss1 h PHE 14 Cb 0.25 0.36 -0.04 0.00 2.56 0.00 0.00 35.95 39.08 1ss1 h PHE 14 CO -0.16 -0.50 0.37 -1.49 -2.02 0.00 0.00 178.31 174.51 1ss1 h TRP 15 N -0.75 0.70 0.27 0.41 4.06 -1.11 0.44 115.95 119.96 1ss1 h TRP 15 Ca -0.03 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 1ss1 h TRP 15 Cb 0.66 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1ss1 h TRP 15 CO -0.18 0.41 -0.13 1.49 -3.56 0.00 0.00 178.44 176.47 1ss1 h GLU 16 N 0.74 -0.34 -0.52 0.49 4.22 -1.11 -2.87 114.58 115.19 1ss1 h GLU 16 Ca 0.24 0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.80 1ss1 h GLU 16 Cb -0.00 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 1ss1 h GLU 16 CO -0.09 -0.02 0.02 0.82 -2.18 0.00 0.00 179.01 177.56 1ss1 h ILE 17 N -0.70 0.61 -0.85 2.32 2.04 -0.01 -0.58 117.51 120.34 1ss1 h ILE 17 Ca -0.04 -0.05 0.13 0.00 1.00 0.00 0.00 64.86 65.91 1ss1 h ILE 17 Cb 0.48 0.46 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 1ss1 h ILE 17 CO 0.06 0.02 0.46 -0.07 0.00 0.00 0.00 178.15 178.62 1ss1 h LEU 18 N 0.13 0.59 0.05 1.44 -0.00 -0.10 -3.05 115.31 114.38 1ss1 h LEU 18 Ca 0.26 0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 58.14 1ss1 h LEU 18 Cb 0.40 -0.03 0.01 0.00 -0.00 0.00 0.00 40.66 41.04 1ss1 h LEU 18 CO -0.42 0.28 -0.37 0.45 -0.00 0.00 0.00 178.44 178.38 1ss1 h HIS 19 N 0.69 0.20 -3.93 1.13 3.86 -1.16 -3.48 115.15 112.45 1ss1 h HIS 19 Ca 0.45 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1ss1 h HIS 19 Cb 0.57 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1ss1 h HIS 19 CO -0.08 1.14 0.00 1.28 0.86 0.00 0.00 177.93 181.14 1ss1 n LEU 20 N -4.42 0.00 -4.54 2.43 4.77 -0.29 -4.60 117.00 110.36 1ss1 n LEU 20 Ca -0.13 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.48 1ss1 n LEU 20 Cb 0.62 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.65 1ss1 n LEU 20 CO 0.39 0.00 2.08 -2.65 -1.33 0.00 0.00 177.39 175.88 1ss1 n PRO 21 N -0.40 0.77 0.00 3.23 -0.02 -1.26 -0.79 135.00 136.52 1ss1 n PRO 21 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1ss1 n PRO 21 Cb 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 30.54 1ss1 n PRO 21 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ss1 n ASN 22 N 14.52 0.00 -4.77 2.55 3.02 -1.26 -4.80 115.26 124.53 1ss1 n ASN 22 Ca 0.45 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.59 1ss1 n ASN 22 Cb 0.41 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ss1 s LEU 23 N 0.00 4.34 0.06 3.41 2.96 0.03 -4.78 118.68 124.69 1ss1 s LEU 23 Ca 0.00 2.96 -0.36 0.00 -0.22 0.00 0.00 54.13 56.50 1ss1 s LEU 23 Cb 0.00 -3.65 -0.16 0.00 0.50 0.00 0.00 46.19 42.88 1ss1 s LEU 23 CO 0.00 -0.85 1.45 0.59 -1.32 0.00 0.00 176.35 176.23 1ss1 n ASN 24 N 1.23 2.10 0.24 3.68 4.13 -1.26 -4.78 115.26 120.60 1ss1 n ASN 24 Ca 0.04 1.10 0.09 0.00 1.68 0.00 0.00 54.58 57.49 1ss1 n ASN 24 Cb 0.39 -1.24 0.59 0.00 -1.54 0.00 0.00 39.78 37.97 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 5.30 0.00 0.00 3.52 4.57 -1.90 0.21 114.58 126.27 1ss1 h GLU 25 Ca -0.47 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.61 1ss1 h GLU 25 Cb 1.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 1ss1 h GLU 25 CO 0.83 0.19 -0.46 0.93 -1.18 0.00 0.00 179.01 179.32 1ss1 h GLU 26 N 0.00 0.00 -0.06 1.92 3.07 -2.00 -0.55 114.58 116.96 1ss1 h GLU 26 Ca -0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 1ss1 h GLU 26 Cb 0.43 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1ss1 h GLU 26 CO 0.02 0.46 -0.88 1.96 -1.40 0.00 0.00 179.01 179.17 1ss1 h GLN 27 N 0.00 0.60 0.35 2.33 1.08 -1.12 -2.19 115.11 116.15 1ss1 h GLN 27 Ca -0.00 -0.56 -0.01 0.00 -1.45 0.00 0.00 58.65 56.63 1ss1 h GLN 27 Cb 0.89 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1ss1 h GLN 27 CO 0.06 1.18 -0.27 0.00 -0.95 0.00 0.00 178.83 178.85 1ss1 h ARG 28 N 0.37 -0.60 -0.52 1.46 3.08 -0.04 -1.40 114.38 116.74 1ss1 h ARG 28 Ca -0.07 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.11 1ss1 h ARG 28 Cb 1.51 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 31.61 1ss1 h ARG 28 CO 0.17 -0.40 0.07 -0.97 -1.07 0.00 0.00 179.97 177.77 1ss1 h ASN 29 N -0.62 -0.07 -0.94 7.04 -0.73 -1.13 -0.26 115.58 118.87 1ss1 h ASN 29 Ca -0.03 0.10 0.10 0.00 1.87 0.00 0.00 56.30 58.35 1ss1 h ASN 29 Cb 0.54 0.16 -0.07 0.00 0.27 0.00 0.00 38.32 39.22 1ss1 h ASN 29 CO -0.00 -0.01 0.61 1.23 -0.37 0.00 0.00 177.43 178.88 1ss1 h GLY 30 N 0.20 1.43 1.90 1.57 0.00 -1.02 0.23 103.07 107.37 1ss1 h GLY 30 Ca 0.27 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1ss1 h GLY 30 CO -0.38 0.21 -0.28 0.74 0.00 0.00 0.00 176.54 176.83 1ss1 h PHE 31 N 0.95 0.14 -0.13 5.60 0.04 0.04 -2.13 116.94 121.45 1ss1 h PHE 31 Ca 0.44 -0.02 -0.11 0.00 2.80 0.00 0.00 57.97 61.08 1ss1 h PHE 31 Cb 0.42 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1ss1 h PHE 31 CO -0.00 0.40 -0.34 0.82 -0.60 0.00 0.00 178.31 178.58 1ss1 h ILE 32 N 0.11 1.37 -0.03 -0.55 1.08 -0.17 0.85 117.51 120.18 1ss1 h ILE 32 Ca 0.02 -1.64 -0.00 0.00 -0.39 0.00 0.00 64.86 62.85 1ss1 h ILE 32 Cb 0.56 2.09 -0.00 0.00 -3.07 0.00 0.00 36.82 36.39 1ss1 h ILE 32 CO 0.04 0.49 0.01 1.56 -0.69 0.00 0.00 178.15 179.56 1ss1 h GLN 33 N 0.05 0.04 -0.47 2.37 4.20 -1.15 1.24 115.11 121.39 1ss1 h GLN 33 Ca -0.01 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1ss1 h GLN 33 Cb 0.96 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1ss1 h GLN 33 CO 0.07 0.13 -0.21 1.03 -0.67 0.00 0.00 178.83 179.18 1ss1 h SER 34 N -0.06 1.01 -0.09 1.46 0.87 -1.45 -2.28 113.55 113.01 1ss1 h SER 34 Ca 0.01 -0.40 -0.08 0.00 -1.23 0.00 0.00 61.79 60.09 1ss1 h SER 34 Cb 0.10 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1ss1 h SER 34 CO -0.00 1.18 -0.26 0.25 -0.53 0.00 0.00 176.83 177.46 1ss1 h LEU 35 N 0.83 0.38 0.84 2.23 5.85 -0.70 -2.94 115.31 121.80 1ss1 h LEU 35 Ca 0.11 -0.60 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 1ss1 h LEU 35 Cb 0.79 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.71 1ss1 h LEU 35 CO 0.07 0.92 -0.43 0.07 -0.34 0.00 0.00 178.44 178.72 1ss1 h LYS 36 N -0.14 -1.12 0.00 1.25 2.10 0.15 -2.41 116.57 116.41 1ss1 h LYS 36 Ca -0.01 0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1ss1 h LYS 36 Cb 0.88 0.25 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1ss1 h LYS 36 CO 0.06 -0.75 0.00 -0.44 -2.00 0.00 0.00 179.45 176.32 1ss1 h ASP 37 N -1.16 0.00 -2.99 7.07 5.19 -1.54 -3.37 116.42 119.61 1ss1 h ASP 37 Ca -0.11 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.81 1ss1 h ASP 37 Cb 0.90 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.01 1ss1 h ASP 37 CO 0.17 0.00 -0.76 -0.62 -3.12 0.00 0.00 179.24 174.91 1ss1 s ASP 38 N -4.93 2.78 0.42 6.45 -1.08 -0.91 -4.99 116.67 114.41 1ss1 s ASP 38 Ca -0.04 -0.85 0.25 0.00 -0.52 0.00 0.00 52.55 51.38 1ss1 s ASP 38 Cb 0.12 -0.32 0.60 0.00 -1.46 0.00 0.00 42.92 41.86 1ss1 s ASP 38 CO 0.37 -0.38 1.70 1.55 0.52 0.00 0.00 175.17 178.93 1ss1 h PRO 39 N 8.40 0.00 0.00 4.34 0.13 -1.73 -3.06 132.00 140.08 1ss1 h PRO 39 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1ss1 h PRO 39 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ss1 h PRO 39 CO 0.34 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.56 1ss1 n SER 40 N -2.96 0.48 0.00 1.44 2.88 -1.26 -1.77 113.62 112.43 1ss1 n SER 40 Ca 0.04 0.62 0.11 0.00 -1.33 0.00 0.00 58.87 58.31 1ss1 n SER 40 Cb 0.47 -0.72 0.06 0.00 -0.75 0.00 0.00 64.21 63.27 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 -2.03 0.01 -0.30 -1.46 6.02 -1.16 -4.48 117.38 113.98 1ss1 n GLN 41 Ca 0.02 -0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.18 1ss1 n GLN 41 Cb 0.20 -1.50 0.32 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.52 -0.01 -0.08 1.08 2.88 -0.73 0.68 113.62 115.93 1ss1 n SER 42 Ca 0.05 1.48 -0.14 0.00 -1.33 0.00 0.00 58.87 58.92 1ss1 n SER 42 Cb 0.34 -0.58 -0.05 0.00 -0.75 0.00 0.00 64.21 63.17 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 1.75 0.40 -0.58 -1.46 0.00 -1.82 -1.07 119.26 116.48 1ss1 h ALA 43 Ca 0.58 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ss1 h ALA 43 Cb 1.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1ss1 h ALA 43 CO -0.79 0.48 0.05 -0.91 0.00 0.00 0.00 179.25 178.08 1ss1 h ASN 44 N 0.46 0.96 -0.05 0.00 4.21 -0.03 -1.82 115.58 119.31 1ss1 h ASN 44 Ca 0.03 -0.28 -0.06 0.00 1.21 0.00 0.00 56.30 57.19 1ss1 h ASN 44 Cb 0.96 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.91 1ss1 h ASN 44 CO 0.09 1.00 -0.21 -0.07 -1.29 0.00 0.00 177.43 176.95 1ss1 h LEU 45 N 0.88 0.27 -0.87 1.61 -0.00 -0.55 -2.45 115.31 114.20 1ss1 h LEU 45 Ca 0.17 -0.66 0.04 0.00 -0.00 0.00 0.00 57.88 57.43 1ss1 h LEU 45 Cb 0.48 -0.08 -0.05 0.00 -0.00 0.00 0.00 40.66 41.01 1ss1 h LEU 45 CO 0.02 0.88 0.56 0.25 -0.00 0.00 0.00 178.44 180.14 1ss1 h LEU 46 N -0.33 0.91 0.04 1.67 6.46 -1.21 0.32 115.31 123.18 1ss1 h LEU 46 Ca -0.01 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1ss1 h LEU 46 Cb 0.87 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1ss1 h LEU 46 CO 0.04 0.62 -0.02 0.00 -0.62 0.00 0.00 178.44 178.46 1ss1 h ALA 47 N 1.37 -0.06 -0.51 1.25 0.00 -1.39 -1.03 119.26 118.89 1ss1 h ALA 47 Ca 0.35 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1ss1 h ALA 47 Cb 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ss1 h ALA 47 CO -0.13 -0.35 0.13 1.05 0.00 0.00 0.00 179.25 179.95 1ss1 h GLU 48 N -0.42 0.81 -0.37 0.00 4.11 -1.24 -2.08 114.58 115.38 1ss1 h GLU 48 Ca -0.01 -0.19 -0.01 0.00 0.07 0.00 0.00 59.36 59.22 1ss1 h GLU 48 Cb 0.38 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1ss1 h GLU 48 CO 0.01 0.77 0.19 0.00 0.07 0.00 0.00 179.01 180.05 1ss1 h ALA 49 N 1.00 0.48 -0.00 1.06 0.00 -0.40 -0.19 119.26 121.21 1ss1 h ALA 49 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ss1 h ALA 49 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ss1 h ALA 49 CO 0.00 0.03 -0.04 0.87 0.00 0.00 0.00 179.25 180.10 1ss1 h LYS 50 N 0.47 -0.07 -0.72 0.00 1.57 -1.06 0.11 116.57 116.87 1ss1 h LYS 50 Ca 0.13 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1ss1 h LYS 50 Cb 0.10 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1ss1 h LYS 50 CO -0.02 -0.05 0.23 1.57 -0.57 0.00 0.00 179.45 180.61 1ss1 h LYS 51 N -0.08 1.10 0.49 3.15 2.10 -1.28 -1.94 116.57 120.12 1ss1 h LYS 51 Ca 0.02 -0.23 -0.02 0.00 -2.00 0.00 0.00 60.65 58.42 1ss1 h LYS 51 Cb 0.10 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 1ss1 h LYS 51 CO -0.05 0.93 -0.24 1.25 -2.00 0.00 0.00 179.45 179.35 1ss1 h LEU 52 N 1.06 -0.56 -0.72 7.07 6.46 -0.72 -1.93 115.31 125.97 1ss1 h LEU 52 Ca 0.23 -0.06 0.14 0.00 -0.12 0.00 0.00 57.88 58.08 1ss1 h LEU 52 Cb 0.29 0.15 -0.10 0.00 -0.73 0.00 0.00 40.66 40.26 1ss1 h LEU 52 CO -0.01 -0.26 0.23 -1.13 -0.62 0.00 0.00 178.44 176.66 1ss1 h ASN 53 N -0.87 0.15 -0.51 1.25 -1.24 -0.73 -0.16 115.58 113.46 1ss1 h ASN 53 Ca -0.07 0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.07 1ss1 h ASN 53 Cb 0.59 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.75 1ss1 h ASN 53 CO 0.11 0.04 0.34 -2.24 -1.29 0.00 0.00 177.43 174.39 1ss1 h ASP 54 N 0.35 0.58 -0.49 1.15 3.04 -1.28 0.77 116.42 120.54 1ss1 h ASP 54 Ca 0.40 -0.01 0.01 0.00 -3.24 0.00 0.00 57.03 54.19 1ss1 h ASP 54 Cb 0.63 -0.14 -0.02 0.00 -1.04 0.00 0.00 39.33 38.75 1ss1 h ASP 54 CO -0.44 0.42 0.33 0.00 -2.04 0.00 0.00 179.24 177.51 1ss1 h ALA 55 N 1.19 1.68 -0.04 4.15 0.00 -0.25 -1.84 119.26 124.15 1ss1 h ALA 55 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ss1 h ALA 55 Cb -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1ss1 h ALA 55 CO -0.05 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1ss1 n GLN 56 N -4.47 2.33 -4.45 0.00 10.64 -0.55 -4.94 117.38 115.94 1ss1 n GLN 56 Ca 0.05 -1.93 -0.29 0.00 -1.83 0.00 0.00 57.00 52.99 1ss1 n GLN 56 Cb 0.07 -1.46 -0.13 0.00 -0.86 0.00 0.00 30.24 27.86 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 -1.99 2.40 0.16 2.61 0.00 0.26 -4.76 121.76 120.45 1ss1 s ALA 57 Ca 0.28 -1.43 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 1ss1 s ALA 57 Cb 0.20 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1ss1 s ALA 57 CO 0.30 0.55 1.36 -1.00 0.00 0.00 0.00 175.76 176.97 1ss1 h PRO 58 N 3.99 0.29 -6.17 0.00 0.13 -1.86 -3.44 132.00 124.95 1ss1 h PRO 58 Ca -0.50 -0.30 -0.73 0.00 -0.87 0.00 0.00 66.00 63.59 1ss1 h PRO 58 Cb 1.17 0.08 0.02 0.00 0.13 0.00 0.00 31.00 32.40 1ss1 h PRO 58 CO 0.41 1.00 0.78 1.63 -0.23 0.00 0.00 178.00 181.59 1ss1 n LYS 59 N -3.71 1.10 -0.17 0.86 5.02 -1.26 -5.13 118.16 114.86 1ss1 n LYS 59 Ca -0.05 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1ss1 n LYS 59 Cb 0.80 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88