#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 -5.47 -3.72 1.61 2.88 -1.26 -4.90 113.62 102.76 1ss1 n SER 0 Ca 0.00 0.48 -0.05 0.00 -1.33 0.00 0.00 58.87 57.97 1ss1 n SER 0 Cb 0.00 -4.69 -0.02 0.00 -0.75 0.00 0.00 64.21 58.75 1ss1 n SER 0 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ss1 s THR 1 N -2.69 0.00 0.25 2.46 2.01 -1.26 -5.04 115.64 111.36 1ss1 s THR 1 Ca 0.00 -0.60 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 1ss1 s THR 1 Cb 0.00 -1.81 0.33 0.00 0.01 0.00 0.00 72.50 71.03 1ss1 s THR 1 CO 0.00 0.00 1.60 0.00 -0.69 0.00 0.00 174.62 175.53 1ss1 h ALA 2 N 2.00 0.60 -6.91 7.40 0.00 -1.91 -3.45 119.26 117.00 1ss1 h ALA 2 Ca -0.23 0.30 -0.58 0.00 0.00 0.00 0.00 54.91 54.40 1ss1 h ALA 2 Cb 1.24 0.57 -0.21 0.00 0.00 0.00 0.00 17.79 19.39 1ss1 h ALA 2 CO 0.26 -0.42 -0.91 -0.40 0.00 0.00 0.00 179.25 177.79 1ss1 n ASP 3 N -5.49 -0.78 -0.45 0.00 5.75 -1.26 -4.73 116.55 109.58 1ss1 n ASP 3 Ca 0.12 -1.15 0.37 0.00 -0.01 0.00 0.00 54.79 54.12 1ss1 n ASP 3 Cb 0.44 -2.17 0.60 0.00 -1.03 0.00 0.00 41.12 38.95 1ss1 n ASP 3 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ss1 n ASN 4 N -2.78 0.13 0.00 -1.12 5.15 -1.26 -4.76 115.26 110.62 1ss1 n ASN 4 Ca -0.15 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.89 1ss1 n ASN 4 Cb 0.60 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1ss1 n ASN 4 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1ss1 n LYS 5 N -4.15 0.00 -1.55 1.20 2.85 -1.26 -5.02 118.16 110.23 1ss1 n LYS 5 Ca 0.35 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 1ss1 n LYS 5 Cb 1.42 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.80 1ss1 n LYS 5 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1ss1 n PHE 6 N 0.00 -4.17 -4.43 5.58 3.72 -1.26 -4.99 117.46 111.91 1ss1 n PHE 6 Ca 0.00 2.20 -0.19 0.00 -0.05 0.00 0.00 57.45 59.41 1ss1 n PHE 6 Cb 0.00 -3.39 -0.04 0.00 -0.94 0.00 0.00 39.48 35.11 1ss1 n PHE 6 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1ss1 n ASN 7 N -0.37 2.51 -0.07 4.37 0.23 -1.26 -4.74 115.26 115.92 1ss1 n ASN 7 Ca 0.00 -2.34 0.24 0.00 -0.53 0.00 0.00 54.58 51.94 1ss1 n ASN 7 Cb 0.00 0.30 0.71 0.00 -2.08 0.00 0.00 39.78 38.70 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1ss1 h LYS 8 N 0.00 0.00 0.04 -3.83 3.64 -1.97 1.14 116.57 115.59 1ss1 h LYS 8 Ca -0.24 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.05 1ss1 h LYS 8 Cb 0.77 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1ss1 h LYS 8 CO 0.40 0.00 -0.34 1.05 -2.27 0.00 0.00 179.45 178.29 1ss1 h GLU 9 N 0.00 0.16 0.00 1.90 4.11 -2.00 -3.21 114.58 115.54 1ss1 h GLU 9 Ca 0.32 -0.23 -0.00 0.00 0.07 0.00 0.00 59.36 59.53 1ss1 h GLU 9 Cb 1.32 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1ss1 h GLU 9 CO -0.00 1.04 -0.00 1.96 0.07 0.00 0.00 179.01 182.08 1ss1 h GLN 10 N -0.60 -0.00 -0.67 1.06 1.08 -1.61 -3.35 115.11 111.02 1ss1 h GLN 10 Ca -0.05 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.25 1ss1 h GLN 10 Cb 1.19 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.58 1ss1 h GLN 10 CO 0.07 0.94 0.45 -0.56 -0.95 0.00 0.00 178.83 178.77 1ss1 h GLN 11 N -0.99 0.47 -0.42 1.46 3.07 0.11 -0.79 115.11 118.01 1ss1 h GLN 11 Ca -0.00 -0.03 0.12 0.00 0.09 0.00 0.00 58.65 58.83 1ss1 h GLN 11 Cb 0.94 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 28.38 1ss1 h GLN 11 CO 0.00 0.31 0.40 -2.95 0.09 0.00 0.00 178.83 176.68 1ss1 h ASN 12 N 0.48 0.00 -0.94 0.06 -1.07 -1.67 -0.50 115.58 111.94 1ss1 h ASN 12 Ca 0.31 0.00 0.11 0.00 0.07 0.00 0.00 56.30 56.80 1ss1 h ASN 12 Cb 0.57 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 36.74 1ss1 h ASN 12 CO -0.10 0.00 0.57 0.00 0.07 0.00 0.00 177.43 177.98 1ss1 h ALA 13 N 1.59 1.40 0.11 4.14 0.00 -1.33 -2.10 119.26 123.07 1ss1 h ALA 13 Ca 0.20 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ss1 h ALA 13 Cb 1.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1ss1 h ALA 13 CO -0.00 0.17 -0.34 0.35 0.00 0.00 0.00 179.25 179.43 1ss1 h PHE 14 N 0.91 -0.93 0.58 0.00 3.57 -1.27 0.53 116.94 120.34 1ss1 h PHE 14 Ca 0.46 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.96 1ss1 h PHE 14 Cb 0.46 0.39 0.01 0.00 2.79 0.00 0.00 35.95 39.60 1ss1 h PHE 14 CO -0.03 -0.44 -0.28 -1.49 -2.23 0.00 0.00 178.31 173.84 1ss1 h TRP 15 N -0.56 -0.72 -0.24 0.41 4.06 -1.65 0.48 115.95 117.73 1ss1 h TRP 15 Ca 0.03 -0.02 0.07 0.00 2.06 0.00 0.00 58.89 61.04 1ss1 h TRP 15 Cb 0.60 0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.98 1ss1 h TRP 15 CO -0.31 -0.39 0.23 0.93 -3.56 0.00 0.00 178.44 175.35 1ss1 h GLU 16 N -0.99 0.00 0.04 0.49 5.08 -1.36 1.05 114.58 118.89 1ss1 h GLU 16 Ca -0.08 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1ss1 h GLU 16 Cb 0.66 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1ss1 h GLU 16 CO 0.13 0.00 -0.31 0.82 -1.00 0.00 0.00 179.01 178.65 1ss1 h ILE 17 N 0.00 1.64 -0.46 3.13 2.04 0.26 -2.16 117.51 121.97 1ss1 h ILE 17 Ca 0.12 -2.29 -0.08 0.00 1.00 0.00 0.00 64.86 63.60 1ss1 h ILE 17 Cb 0.58 3.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.80 1ss1 h ILE 17 CO -0.00 0.62 -0.06 -0.07 0.00 0.00 0.00 178.15 178.64 1ss1 h LEU 18 N -0.67 0.78 0.21 1.44 4.07 0.16 -3.20 115.31 118.09 1ss1 h LEU 18 Ca -0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.69 1ss1 h LEU 18 Cb 1.19 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1ss1 h LEU 18 CO 0.06 0.88 -0.10 -0.74 -1.08 0.00 0.00 178.44 177.45 1ss1 h HIS 19 N 0.73 -0.27 -2.09 1.13 2.76 0.96 -3.46 115.15 114.92 1ss1 h HIS 19 Ca 0.13 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1ss1 h HIS 19 Cb 0.53 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.58 1ss1 h HIS 19 CO 0.03 0.12 0.00 1.28 -1.30 0.00 0.00 177.93 178.06 1ss1 n LEU 20 N -4.98 0.00 -4.56 0.26 7.99 -0.81 -4.60 117.00 110.30 1ss1 n LEU 20 Ca -0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.65 1ss1 n LEU 20 Cb 0.26 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.52 1ss1 n LEU 20 CO 0.25 0.00 1.56 -2.84 -1.51 0.00 0.00 177.39 174.85 1ss1 s PRO 21 N -0.98 2.09 0.00 3.23 0.02 -1.26 -0.91 135.00 137.19 1ss1 s PRO 21 Ca 0.00 0.66 0.00 0.00 0.02 0.00 0.00 61.00 61.68 1ss1 s PRO 21 Cb 0.00 -4.71 0.00 0.00 0.02 0.00 0.00 34.50 29.81 1ss1 s PRO 21 CO 0.00 -3.62 0.00 0.27 -0.33 0.00 0.00 177.00 173.32 1ss1 n ASN 22 N 16.04 0.00 -4.80 2.53 0.23 -1.26 -4.89 115.26 123.09 1ss1 n ASN 22 Ca 0.38 0.00 -0.38 0.00 -0.53 0.00 0.00 54.58 54.06 1ss1 n ASN 22 Cb 0.49 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.13 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1ss1 s LEU 23 N 0.00 4.40 -0.31 -4.53 2.96 -0.09 -4.40 118.68 116.72 1ss1 s LEU 23 Ca 0.00 0.83 -0.37 0.00 -0.22 0.00 0.00 54.13 54.37 1ss1 s LEU 23 Cb 0.00 -2.53 -0.13 0.00 0.50 0.00 0.00 46.19 44.03 1ss1 s LEU 23 CO 0.00 0.24 2.02 0.59 -1.32 0.00 0.00 176.35 177.89 1ss1 n ASN 24 N 2.41 2.29 0.11 3.68 4.13 -1.26 -4.71 115.26 121.91 1ss1 n ASN 24 Ca -0.13 0.68 0.19 0.00 1.68 0.00 0.00 54.58 57.00 1ss1 n ASN 24 Cb 0.52 -1.22 0.76 0.00 -1.54 0.00 0.00 39.78 38.30 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 10.34 0.00 0.00 3.52 4.81 -1.93 1.94 114.58 133.25 1ss1 h GLU 25 Ca -0.34 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.84 1ss1 h GLU 25 Cb 1.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1ss1 h GLU 25 CO 1.00 0.00 -0.21 1.05 -0.73 0.00 0.00 179.01 180.12 1ss1 h GLU 26 N 0.00 0.00 0.01 1.92 4.11 -1.99 0.39 114.58 119.02 1ss1 h GLU 26 Ca 0.17 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.35 1ss1 h GLU 26 Cb 0.82 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.09 1ss1 h GLU 26 CO -0.00 0.21 -0.97 0.37 0.07 0.00 0.00 179.01 178.69 1ss1 h GLN 27 N 0.00 0.63 -0.06 1.06 -0.00 0.26 -2.13 115.11 114.87 1ss1 h GLN 27 Ca -0.00 -0.70 -0.01 0.00 -0.00 0.00 0.00 58.65 57.94 1ss1 h GLN 27 Cb 0.44 0.20 -0.00 0.00 0.00 0.00 0.00 27.48 28.11 1ss1 h GLN 27 CO 0.03 1.29 -0.02 0.00 0.00 0.00 0.00 178.83 180.13 1ss1 h ARG 28 N 0.27 0.09 0.01 1.69 3.08 0.13 -1.49 114.38 118.17 1ss1 h ARG 28 Ca -0.12 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1ss1 h ARG 28 Cb 1.64 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.67 1ss1 h ARG 28 CO 0.19 0.12 -0.15 -0.97 -1.07 0.00 0.00 179.97 178.09 1ss1 h ASN 29 N 0.09 0.10 -0.66 7.04 -1.24 -0.25 -3.11 115.58 117.56 1ss1 h ASN 29 Ca 0.02 -0.88 0.13 0.00 0.71 0.00 0.00 56.30 56.28 1ss1 h ASN 29 Cb 0.10 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.07 1ss1 h ASN 29 CO 0.00 0.98 0.45 1.23 -1.29 0.00 0.00 177.43 178.80 1ss1 h GLY 30 N -0.75 0.53 1.87 1.57 0.00 -1.09 0.33 103.07 105.52 1ss1 h GLY 30 Ca -0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1ss1 h GLY 30 CO 0.03 0.06 -0.33 0.74 0.00 0.00 0.00 176.54 177.04 1ss1 h PHE 31 N 0.33 0.17 -0.14 5.60 0.04 -1.32 -2.13 116.94 119.50 1ss1 h PHE 31 Ca 0.32 -0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.92 1ss1 h PHE 31 Cb 0.77 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1ss1 h PHE 31 CO -0.00 0.48 -0.43 0.82 -0.60 0.00 0.00 178.31 178.57 1ss1 h ILE 32 N 0.14 1.35 0.02 -0.55 2.04 -0.30 -0.89 117.51 119.32 1ss1 h ILE 32 Ca 0.02 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 1ss1 h ILE 32 Cb 0.66 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1ss1 h ILE 32 CO 0.05 0.52 -0.01 1.56 0.00 0.00 0.00 178.15 180.27 1ss1 h GLN 33 N 0.17 -0.02 -0.74 2.37 1.08 -1.26 0.96 115.11 117.66 1ss1 h GLN 33 Ca -0.01 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 1ss1 h GLN 33 Cb 1.05 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.46 1ss1 h GLN 33 CO 0.09 0.25 0.28 1.03 -0.95 0.00 0.00 178.83 179.53 1ss1 h SER 34 N -0.30 1.03 -0.05 1.46 0.87 -1.48 -2.32 113.55 112.77 1ss1 h SER 34 Ca -0.00 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.32 1ss1 h SER 34 Cb 0.28 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1ss1 h SER 34 CO 0.00 0.92 -0.25 0.25 -0.53 0.00 0.00 176.83 177.22 1ss1 h LEU 35 N 1.08 0.31 0.53 2.23 5.85 -1.05 -2.27 115.31 121.99 1ss1 h LEU 35 Ca 0.25 -0.66 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1ss1 h LEU 35 Cb 0.23 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1ss1 h LEU 35 CO -0.02 0.92 -0.46 0.07 -0.34 0.00 0.00 178.44 178.61 1ss1 h LYS 36 N -0.29 -0.94 -0.08 1.25 2.10 0.11 -3.09 116.57 115.63 1ss1 h LYS 36 Ca -0.02 0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1ss1 h LYS 36 Cb 0.92 0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1ss1 h LYS 36 CO 0.05 -0.63 0.04 0.22 -2.00 0.00 0.00 179.45 177.14 1ss1 h ASP 37 N -0.98 0.10 -3.29 7.07 3.58 -1.55 -3.38 116.42 117.96 1ss1 h ASP 37 Ca -0.06 -0.07 -0.72 0.00 0.42 0.00 0.00 57.03 56.60 1ss1 h ASP 37 Cb 0.84 -0.02 -0.21 0.00 1.72 0.00 0.00 39.33 41.65 1ss1 h ASP 37 CO -0.03 0.14 -0.20 -0.62 -2.88 0.00 0.00 179.24 175.65 1ss1 s ASP 38 N -5.34 6.17 0.15 2.28 -1.08 -0.85 -4.90 116.67 113.11 1ss1 s ASP 38 Ca -0.13 -1.17 0.11 0.00 -0.52 0.00 0.00 52.55 50.83 1ss1 s ASP 38 Cb 0.06 -2.22 -0.12 0.00 -1.46 0.00 0.00 42.92 39.19 1ss1 s ASP 38 CO 0.68 -0.73 1.25 1.55 0.52 0.00 0.00 175.17 178.44 1ss1 h PRO 39 N 8.83 0.00 0.00 4.34 0.13 -1.75 -3.12 132.00 140.43 1ss1 h PRO 39 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ss1 h PRO 39 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1ss1 h PRO 39 CO 0.90 0.75 0.00 0.43 -0.23 0.00 0.00 178.00 179.85 1ss1 n SER 40 N -3.25 0.34 -0.20 1.44 7.64 -1.26 -1.81 113.62 116.51 1ss1 n SER 40 Ca -0.01 0.57 0.12 0.00 1.01 0.00 0.00 58.87 60.56 1ss1 n SER 40 Cb 0.88 -0.65 0.18 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.86 0.58 -0.33 1.43 1.13 -1.18 -4.41 117.38 112.75 1ss1 n GLN 41 Ca 0.03 -0.41 0.27 0.00 -1.94 0.00 0.00 57.00 54.96 1ss1 n GLN 41 Cb 0.23 -1.49 0.52 0.00 0.11 0.00 0.00 30.24 29.60 1ss1 n GLN 41 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1ss1 h SER 42 N 0.99 0.32 -0.24 1.08 0.87 -1.44 0.75 113.55 115.88 1ss1 h SER 42 Ca 0.00 0.24 -0.17 0.00 -1.23 0.00 0.00 61.79 60.63 1ss1 h SER 42 Cb 0.56 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1ss1 h SER 42 CO 0.00 -0.32 -0.50 0.00 -0.53 0.00 0.00 176.83 175.48 1ss1 h ALA 43 N 1.94 0.39 -0.79 6.23 0.00 -1.82 0.15 119.26 125.35 1ss1 h ALA 43 Ca 0.78 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1ss1 h ALA 43 Cb 1.94 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 1ss1 h ALA 43 CO -0.72 0.56 0.33 -0.97 0.00 0.00 0.00 179.25 178.45 1ss1 h ASN 44 N 0.50 1.08 -0.04 0.00 -0.73 0.05 -0.62 115.58 115.81 1ss1 h ASN 44 Ca 0.01 -0.17 -0.24 0.00 1.87 0.00 0.00 56.30 57.77 1ss1 h ASN 44 Cb 1.11 -0.28 0.02 0.00 0.27 0.00 0.00 38.32 39.43 1ss1 h ASN 44 CO 0.11 0.95 -0.91 -0.07 -0.37 0.00 0.00 177.43 177.14 1ss1 h LEU 45 N 1.14 0.87 0.13 0.34 -0.00 -0.52 -2.53 115.31 114.74 1ss1 h LEU 45 Ca 0.27 -0.71 0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1ss1 h LEU 45 Cb 0.20 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 1ss1 h LEU 45 CO -0.02 1.46 -0.15 0.25 -0.00 0.00 0.00 178.44 179.97 1ss1 h LEU 46 N 0.36 -0.41 -0.09 1.67 6.46 -0.47 -0.40 115.31 122.43 1ss1 h LEU 46 Ca -0.10 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1ss1 h LEU 46 Cb 1.57 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.63 1ss1 h LEU 46 CO 0.18 -0.23 0.02 0.00 -0.62 0.00 0.00 178.44 177.79 1ss1 h ALA 47 N 0.51 0.09 -0.97 1.25 0.00 -1.20 0.17 119.26 119.10 1ss1 h ALA 47 Ca 0.01 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1ss1 h ALA 47 Cb 0.32 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1ss1 h ALA 47 CO -0.06 -0.45 0.61 0.93 0.00 0.00 0.00 179.25 180.28 1ss1 h GLU 48 N 0.05 0.98 0.03 0.00 4.39 -1.24 0.52 114.58 119.32 1ss1 h GLU 48 Ca 0.04 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.45 1ss1 h GLU 48 Cb 0.04 -0.22 0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1ss1 h GLU 48 CO -0.06 0.65 -0.91 0.00 -1.16 0.00 0.00 179.01 177.53 1ss1 h ALA 49 N 1.50 0.07 0.00 3.43 0.00 -0.66 -1.36 119.26 122.24 1ss1 h ALA 49 Ca 0.47 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1ss1 h ALA 49 Cb 0.39 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1ss1 h ALA 49 CO -0.24 0.54 -0.53 1.57 0.00 0.00 0.00 179.25 180.59 1ss1 h LYS 50 N 0.14 0.00 0.00 0.00 2.10 -0.30 -0.85 116.57 117.67 1ss1 h LYS 50 Ca -0.12 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.50 1ss1 h LYS 50 Cb 1.60 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.92 1ss1 h LYS 50 CO 0.18 0.53 -0.17 0.87 -2.00 0.00 0.00 179.45 178.86 1ss1 h LYS 51 N 0.00 0.00 0.22 0.07 1.57 -0.04 -3.25 116.57 115.15 1ss1 h LYS 51 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1ss1 h LYS 51 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1ss1 h LYS 51 CO 0.07 1.00 -0.11 1.25 -0.57 0.00 0.00 179.45 181.09 1ss1 h LEU 52 N -0.99 -0.25 -0.64 2.94 5.85 -1.31 -2.07 115.31 118.82 1ss1 h LEU 52 Ca -0.05 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.64 1ss1 h LEU 52 Cb 1.05 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 1ss1 h LEU 52 CO -0.03 0.02 0.14 -1.13 -0.34 0.00 0.00 178.44 177.10 1ss1 h ASN 53 N -0.53 -0.00 0.43 1.25 -0.73 -1.34 0.65 115.58 115.30 1ss1 h ASN 53 Ca -0.03 0.12 -0.02 0.00 1.87 0.00 0.00 56.30 58.24 1ss1 h ASN 53 Cb 0.40 0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1ss1 h ASN 53 CO 0.05 -0.00 -0.20 -0.78 -0.37 0.00 0.00 177.43 176.12 1ss1 h ASP 54 N 0.26 -0.48 0.10 1.15 1.82 -1.58 0.50 116.42 118.19 1ss1 h ASP 54 Ca 0.34 -0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.89 1ss1 h ASP 54 Cb 0.53 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 1ss1 h ASP 54 CO -0.44 -0.23 -0.14 0.00 -1.61 0.00 0.00 179.24 176.82 1ss1 h ALA 55 N -0.22 1.66 -0.03 -0.78 0.00 -0.89 -2.33 119.26 116.68 1ss1 h ALA 55 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ss1 h ALA 55 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ss1 h ALA 55 CO 0.10 0.26 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 1ss1 n GLN 56 N -4.33 2.10 -1.71 0.00 10.64 0.22 -4.97 117.38 119.34 1ss1 n GLN 56 Ca -0.02 -1.64 -0.37 0.00 -1.83 0.00 0.00 57.00 53.14 1ss1 n GLN 56 Cb 0.24 -1.47 0.06 0.00 -0.86 0.00 0.00 30.24 28.21 1ss1 n GLN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ss1 n ALA 57 N 0.98 0.99 -1.35 2.61 0.00 0.17 -4.88 120.51 119.05 1ss1 n ALA 57 Ca 0.15 0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 1ss1 n ALA 57 Cb 0.53 -2.29 0.08 0.00 0.00 0.00 0.00 19.45 17.77 1ss1 n ALA 57 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ss1 s PRO 58 N -3.21 2.43 0.00 0.00 0.04 -1.26 -5.02 135.00 127.98 1ss1 s PRO 58 Ca 0.81 1.30 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1ss1 s PRO 58 Cb -0.39 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1ss1 s PRO 58 CO 0.42 -1.53 0.00 1.63 0.04 0.00 0.00 177.00 177.57 1ss1 n LYS 59 N -3.05 -1.29 -0.60 4.56 4.76 -1.26 -5.17 118.16 116.11 1ss1 n LYS 59 Ca 0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1ss1 n LYS 59 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03