#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 7.32 0.10 1.61 7.64 -1.26 -4.76 113.62 124.27 1ss1 n SER 0 Ca 0.00 -3.58 -0.04 0.00 1.01 0.00 0.00 58.87 56.26 1ss1 n SER 0 Cb 0.00 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.01 1ss1 n SER 0 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1ss1 h THR 1 N 2.12 0.00 -3.20 0.44 2.02 -2.09 -3.39 112.91 108.81 1ss1 h THR 1 Ca 0.54 -0.01 -0.74 0.00 0.77 0.00 0.00 66.41 66.97 1ss1 h THR 1 Cb 0.28 0.00 -0.27 0.00 -1.74 0.00 0.00 68.15 66.42 1ss1 h THR 1 CO 1.25 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 176.83 1ss1 s ALA 2 N -3.57 3.52 0.00 6.16 0.00 -1.26 -4.99 121.76 121.61 1ss1 s ALA 2 Ca -0.04 -2.55 0.00 0.00 0.00 0.00 0.00 51.96 49.38 1ss1 s ALA 2 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1ss1 s ALA 2 CO 0.12 -1.96 0.93 -0.40 0.00 0.00 0.00 175.76 174.44 1ss1 n ASP 3 N 5.06 0.00 -3.56 0.00 5.68 -1.26 -4.36 116.55 118.10 1ss1 n ASP 3 Ca -0.11 0.93 -0.17 0.00 -0.50 0.00 0.00 54.79 54.95 1ss1 n ASP 3 Cb 0.40 -0.43 -0.17 0.00 -1.14 0.00 0.00 41.12 39.78 1ss1 n ASP 3 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1ss1 n ASN 4 N -2.37 -1.20 -3.08 -1.12 0.23 -1.26 -4.70 115.26 101.75 1ss1 n ASN 4 Ca 0.00 -0.47 -0.16 0.00 -0.53 0.00 0.00 54.58 53.41 1ss1 n ASN 4 Cb 0.00 -0.42 -0.02 0.00 -2.08 0.00 0.00 39.78 37.26 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 4.33 1.06 0.21 -3.83 4.81 -1.26 -4.97 118.16 118.51 1ss1 n LYS 5 Ca 0.51 -3.39 -0.09 0.00 -0.87 0.00 0.00 58.31 54.47 1ss1 n LYS 5 Cb 0.13 -1.63 -0.04 0.00 0.02 0.00 0.00 35.03 33.50 1ss1 n LYS 5 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1ss1 h PHE 6 N 3.00 -0.54 0.00 5.64 -1.00 -1.96 -3.45 116.94 118.64 1ss1 h PHE 6 Ca 0.06 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1ss1 h PHE 6 Cb 1.00 0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.74 1ss1 h PHE 6 CO 0.48 -0.33 0.00 0.27 -1.61 0.00 0.00 178.31 177.11 1ss1 n ASN 7 N -4.76 0.00 -0.05 2.17 6.94 -1.26 -2.03 115.26 116.27 1ss1 n ASN 7 Ca -0.07 0.00 -0.05 0.00 -0.02 0.00 0.00 54.58 54.44 1ss1 n ASN 7 Cb 0.23 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.61 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1ss1 h LYS 8 N 0.00 -0.01 -0.28 -3.83 1.57 -1.98 -3.16 116.57 108.88 1ss1 h LYS 8 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1ss1 h LYS 8 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1ss1 h LYS 8 CO 0.00 0.30 -0.12 0.93 -0.57 0.00 0.00 179.45 179.99 1ss1 h GLU 9 N -1.00 -0.08 0.05 3.15 3.07 -1.95 -2.86 114.58 114.96 1ss1 h GLU 9 Ca -0.00 0.01 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 1ss1 h GLU 9 Cb 0.32 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1ss1 h GLU 9 CO 0.00 -0.05 -1.16 1.96 -1.40 0.00 0.00 179.01 178.36 1ss1 h GLN 10 N -0.08 0.10 0.00 2.33 1.08 -1.62 -3.28 115.11 113.64 1ss1 h GLN 10 Ca 0.14 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1ss1 h GLN 10 Cb 0.30 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1ss1 h GLN 10 CO -0.33 1.05 -0.02 0.37 -0.95 0.00 0.00 178.83 178.95 1ss1 h GLN 11 N 0.03 0.00 -0.88 1.46 4.15 -1.50 -1.98 115.11 116.39 1ss1 h GLN 11 Ca -0.08 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.48 1ss1 h GLN 11 Cb 1.87 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 29.47 1ss1 h GLN 11 CO 0.15 0.02 0.49 -2.95 -1.93 0.00 0.00 178.83 174.61 1ss1 h ASN 12 N 0.00 0.63 -0.83 -0.69 -1.07 -1.57 0.16 115.58 112.21 1ss1 h ASN 12 Ca -0.00 0.08 0.14 0.00 0.07 0.00 0.00 56.30 56.58 1ss1 h ASN 12 Cb 0.04 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.20 1ss1 h ASN 12 CO 0.00 0.29 0.54 0.00 0.07 0.00 0.00 177.43 178.34 1ss1 h ALA 13 N 1.54 1.90 0.32 4.14 0.00 -1.58 -1.95 119.26 123.64 1ss1 h ALA 13 Ca 0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1ss1 h ALA 13 Cb 0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ss1 h ALA 13 CO -0.33 -0.12 -0.37 0.35 0.00 0.00 0.00 179.25 178.78 1ss1 h PHE 14 N 0.62 -1.00 0.58 0.00 3.57 -1.11 0.32 116.94 119.92 1ss1 h PHE 14 Ca 0.41 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.90 1ss1 h PHE 14 Cb 0.71 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1ss1 h PHE 14 CO -0.00 -0.51 -0.41 -1.49 -2.23 0.00 0.00 178.31 173.68 1ss1 h TRP 15 N -0.73 -1.09 -0.32 0.41 4.06 -1.44 0.69 115.95 117.54 1ss1 h TRP 15 Ca -0.02 -0.01 0.09 0.00 2.06 0.00 0.00 58.89 61.02 1ss1 h TRP 15 Cb 0.67 0.40 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1ss1 h TRP 15 CO -0.23 -0.60 0.32 0.93 -3.56 0.00 0.00 178.44 175.30 1ss1 h GLU 16 N -0.95 0.00 -0.17 0.49 5.08 -1.28 5.73 114.58 123.48 1ss1 h GLU 16 Ca -0.07 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1ss1 h GLU 16 Cb 0.79 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1ss1 h GLU 16 CO 0.04 0.00 -0.53 0.82 -1.00 0.00 0.00 179.01 178.33 1ss1 h ILE 17 N 0.00 1.32 0.00 3.13 1.08 0.37 0.16 117.51 123.57 1ss1 h ILE 17 Ca 0.15 -1.78 0.00 0.00 -0.39 0.00 0.00 64.86 62.84 1ss1 h ILE 17 Cb 0.79 1.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 1ss1 h ILE 17 CO -0.00 0.55 -0.06 0.18 -0.69 0.00 0.00 178.15 178.13 1ss1 n LEU 18 N -4.15 0.78 -0.87 1.44 4.32 0.32 -3.45 117.00 115.39 1ss1 n LEU 18 Ca -0.07 0.54 0.11 0.00 -0.02 0.00 0.00 56.01 56.57 1ss1 n LEU 18 Cb 0.61 -0.31 0.09 0.00 -1.62 0.00 0.00 43.42 42.19 1ss1 n LEU 18 CO 0.48 -0.16 0.58 1.41 -1.22 0.00 0.00 177.39 178.48 1ss1 n HIS 19 N -2.22 0.00 -2.05 -1.77 8.25 1.78 -4.87 115.22 114.34 1ss1 n HIS 19 Ca 0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.20 1ss1 n HIS 19 Cb 0.43 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 1ss1 n HIS 19 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ss1 s LEU 20 N -1.92 3.22 -0.91 2.41 1.43 0.53 -4.90 118.68 118.54 1ss1 s LEU 20 Ca 0.26 -0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 52.83 1ss1 s LEU 20 Cb 0.19 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.86 1ss1 s LEU 20 CO 0.30 -2.59 1.65 -2.84 0.23 0.00 0.00 176.35 173.10 1ss1 s PRO 21 N 7.01 3.08 0.00 1.29 0.02 -1.26 -2.06 135.00 143.08 1ss1 s PRO 21 Ca 0.69 -0.57 0.00 0.00 0.02 0.00 0.00 61.00 61.14 1ss1 s PRO 21 Cb -0.09 -5.04 0.00 0.00 0.02 0.00 0.00 34.50 29.39 1ss1 s PRO 21 CO 0.08 -2.69 0.00 0.09 -0.33 0.00 0.00 177.00 174.15 1ss1 n ASN 22 N 11.18 0.00 -4.80 2.53 4.13 -1.26 -1.37 115.26 125.66 1ss1 n ASN 22 Ca 0.31 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.21 1ss1 n ASN 22 Cb 0.49 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.66 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ss1 s LEU 23 N 0.00 4.30 -0.00 3.41 2.96 -0.87 -4.47 118.68 124.00 1ss1 s LEU 23 Ca 0.00 0.38 -0.39 0.00 -0.22 0.00 0.00 54.13 53.90 1ss1 s LEU 23 Cb 0.00 -2.12 -0.19 0.00 0.50 0.00 0.00 46.19 44.38 1ss1 s LEU 23 CO 0.00 0.28 1.22 0.59 -1.32 0.00 0.00 176.35 177.12 1ss1 n ASN 24 N 2.80 0.76 0.21 3.68 4.13 -1.26 -4.68 115.26 120.90 1ss1 n ASN 24 Ca -0.17 1.14 0.08 0.00 1.68 0.00 0.00 54.58 57.31 1ss1 n ASN 24 Cb 0.53 -1.03 0.42 0.00 -1.54 0.00 0.00 39.78 38.17 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 3.84 0.00 0.00 3.52 9.09 -1.95 0.42 114.58 129.51 1ss1 h GLU 25 Ca -0.49 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 58.85 1ss1 h GLU 25 Cb 1.39 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.48 1ss1 h GLU 25 CO 0.73 0.29 -0.33 0.93 0.05 0.00 0.00 179.01 180.68 1ss1 h GLU 26 N 0.00 0.00 0.04 1.06 5.08 -1.99 0.32 114.58 119.09 1ss1 h GLU 26 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1ss1 h GLU 26 Cb 0.77 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.03 1ss1 h GLU 26 CO 0.04 0.33 -1.09 1.96 -1.00 0.00 0.00 179.01 179.24 1ss1 h GLN 27 N 0.00 0.57 0.73 2.33 1.08 -1.27 -2.17 115.11 116.38 1ss1 h GLN 27 Ca -0.00 -0.68 -0.04 0.00 -1.45 0.00 0.00 58.65 56.48 1ss1 h GLN 27 Cb 0.73 0.21 0.01 0.00 -0.05 0.00 0.00 27.48 28.37 1ss1 h GLN 27 CO 0.04 1.28 -0.35 0.00 -0.95 0.00 0.00 178.83 178.85 1ss1 h ARG 28 N 0.30 -0.95 -0.46 1.46 3.08 0.10 -0.28 114.38 117.63 1ss1 h ARG 28 Ca -0.13 0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.01 1ss1 h ARG 28 Cb 1.75 0.22 -0.04 0.00 0.08 0.00 0.00 29.97 31.98 1ss1 h ARG 28 CO 0.20 -0.61 0.25 -2.95 -1.07 0.00 0.00 179.97 175.79 1ss1 h ASN 29 N -1.20 0.39 -0.54 7.04 -1.07 -0.55 -0.41 115.58 119.25 1ss1 h ASN 29 Ca -0.10 0.01 0.09 0.00 0.07 0.00 0.00 56.30 56.38 1ss1 h ASN 29 Cb 0.77 -0.06 -0.03 0.00 -2.07 0.00 0.00 38.32 36.93 1ss1 h ASN 29 CO 0.17 0.28 0.36 1.23 0.07 0.00 0.00 177.43 179.53 1ss1 h GLY 30 N 0.51 0.46 1.34 9.14 0.00 -1.39 0.98 103.07 114.10 1ss1 h GLY 30 Ca 0.19 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 1ss1 h GLY 30 CO -0.11 0.09 -0.24 0.74 0.00 0.00 0.00 176.54 177.01 1ss1 h PHE 31 N 0.33 0.87 -0.12 5.60 0.04 0.58 -2.27 116.94 121.96 1ss1 h PHE 31 Ca 0.25 -0.20 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1ss1 h PHE 31 Cb 0.53 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 1ss1 h PHE 31 CO -0.00 0.92 -0.05 0.82 -0.60 0.00 0.00 178.31 179.41 1ss1 h ILE 32 N 0.66 1.31 -0.09 -0.55 2.04 0.17 -1.17 117.51 119.88 1ss1 h ILE 32 Ca 0.09 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.92 1ss1 h ILE 32 Cb 0.75 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1ss1 h ILE 32 CO 0.06 0.30 -0.04 1.56 0.00 0.00 0.00 178.15 180.03 1ss1 h GLN 33 N -0.10 -0.03 -0.79 2.37 4.20 -1.16 2.94 115.11 122.54 1ss1 h GLN 33 Ca 0.03 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1ss1 h GLN 33 Cb 0.49 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 1ss1 h GLN 33 CO 0.02 -0.02 0.52 1.03 -0.67 0.00 0.00 178.83 179.71 1ss1 h SER 34 N -0.03 0.91 0.52 1.46 0.87 -1.43 -0.55 113.55 115.31 1ss1 h SER 34 Ca 0.05 -0.02 -0.21 0.00 -1.23 0.00 0.00 61.79 60.37 1ss1 h SER 34 Cb 0.10 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1ss1 h SER 34 CO -0.10 0.66 -0.92 0.25 -0.53 0.00 0.00 176.83 176.18 1ss1 h LEU 35 N 1.08 0.34 -0.99 2.23 5.85 -0.35 -3.28 115.31 120.19 1ss1 h LEU 35 Ca 0.29 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ss1 h LEU 35 Cb -0.12 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1ss1 h LEU 35 CO -0.06 1.10 -0.09 0.50 -0.34 0.00 0.00 178.44 179.55 1ss1 h LYS 36 N 0.14 0.00 -0.00 1.25 3.64 0.63 -2.71 116.57 119.51 1ss1 h LYS 36 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ss1 h LYS 36 Cb 1.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1ss1 h LYS 36 CO 0.15 0.09 -0.29 -0.40 -2.27 0.00 0.00 179.45 176.72 1ss1 n ASP 37 N -3.18 0.50 -3.64 4.20 5.68 -0.31 -4.79 116.55 115.00 1ss1 n ASP 37 Ca 0.01 -0.29 -0.02 0.00 -0.50 0.00 0.00 54.79 54.00 1ss1 n ASP 37 Cb 0.41 0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.37 1ss1 n ASP 37 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ss1 s ASP 38 N -2.81 -1.08 0.35 -1.12 2.15 -1.02 -5.00 116.67 108.14 1ss1 s ASP 38 Ca 0.17 1.52 0.18 0.00 0.43 0.00 0.00 52.55 54.85 1ss1 s ASP 38 Cb 0.19 2.23 0.49 0.00 -0.30 0.00 0.00 42.92 45.53 1ss1 s ASP 38 CO 0.59 -0.22 1.64 1.55 -0.17 0.00 0.00 175.17 178.57 1ss1 h PRO 39 N 8.01 0.00 -0.19 4.34 0.13 -1.87 -3.11 132.00 139.31 1ss1 h PRO 39 Ca -0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.87 1ss1 h PRO 39 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1ss1 h PRO 39 CO 0.10 0.42 -0.26 1.03 -0.23 0.00 0.00 178.00 179.06 1ss1 h SER 40 N 0.00 0.35 0.54 1.44 0.87 -1.92 -1.67 113.55 113.16 1ss1 h SER 40 Ca -0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1ss1 h SER 40 Cb 1.05 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1ss1 h SER 40 CO 0.05 0.62 0.00 0.00 -0.53 0.00 0.00 176.83 176.97 1ss1 n GLN 41 N -4.13 0.13 -0.40 2.24 6.02 -1.18 -3.71 117.38 116.35 1ss1 n GLN 41 Ca -0.01 0.13 0.39 0.00 -0.01 0.00 0.00 57.00 57.50 1ss1 n GLN 41 Cb 0.39 -1.50 0.69 0.00 1.02 0.00 0.00 30.24 30.84 1ss1 n GLN 41 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1ss1 h SER 42 N 0.00 0.00 0.07 1.08 4.64 -1.40 0.53 113.55 118.47 1ss1 h SER 42 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1ss1 h SER 42 Cb 0.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1ss1 h SER 42 CO 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 176.83 175.41 1ss1 h ALA 43 N 1.00 -0.02 -0.36 5.18 0.00 -1.81 -1.75 119.26 121.50 1ss1 h ALA 43 Ca 0.66 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1ss1 h ALA 43 Cb 2.94 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 20.77 1ss1 h ALA 43 CO -0.01 0.27 -0.10 -0.97 0.00 0.00 0.00 179.25 178.44 1ss1 h ASN 44 N -0.44 0.61 0.02 0.00 -1.24 -0.31 0.68 115.58 114.89 1ss1 h ASN 44 Ca -0.09 -0.16 -0.06 0.00 0.71 0.00 0.00 56.30 56.70 1ss1 h ASN 44 Cb 1.37 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 40.27 1ss1 h ASN 44 CO 0.11 0.74 -0.23 -0.07 -1.29 0.00 0.00 177.43 176.69 1ss1 h LEU 45 N 0.58 0.17 -1.19 0.34 -0.00 -1.12 -1.67 115.31 112.40 1ss1 h LEU 45 Ca 0.11 -0.87 -0.08 0.00 -0.00 0.00 0.00 57.88 57.03 1ss1 h LEU 45 Cb 0.51 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 1ss1 h LEU 45 CO 0.03 1.02 -0.37 0.25 -0.00 0.00 0.00 178.44 179.38 1ss1 h LEU 46 N -0.66 0.07 0.03 1.67 6.46 -1.31 -0.91 115.31 120.66 1ss1 h LEU 46 Ca -0.04 -0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.62 1ss1 h LEU 46 Cb 1.08 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 41.00 1ss1 h LEU 46 CO 0.04 0.43 -0.35 0.00 -0.62 0.00 0.00 178.44 177.94 1ss1 h ALA 47 N 1.57 0.00 -0.83 1.25 0.00 -0.95 -0.63 119.26 119.68 1ss1 h ALA 47 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1ss1 h ALA 47 Cb 0.68 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1ss1 h ALA 47 CO 0.05 0.15 0.55 0.93 0.00 0.00 0.00 179.25 180.93 1ss1 h GLU 48 N -0.55 1.09 0.01 0.00 4.39 -1.24 -0.40 114.58 117.88 1ss1 h GLU 48 Ca -0.05 -0.07 -0.19 0.00 0.34 0.00 0.00 59.36 59.39 1ss1 h GLU 48 Cb 1.17 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1ss1 h GLU 48 CO 0.07 0.72 -0.88 0.00 -1.16 0.00 0.00 179.01 177.76 1ss1 h ALA 49 N 1.30 0.54 -0.33 3.43 0.00 -1.25 -1.70 119.26 121.26 1ss1 h ALA 49 Ca 0.30 -0.75 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1ss1 h ALA 49 Cb -0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ss1 h ALA 49 CO -0.07 0.99 -0.39 -0.22 0.00 0.00 0.00 179.25 179.57 1ss1 h LYS 50 N 0.05 0.79 0.09 0.00 1.63 -0.62 -2.04 116.57 116.47 1ss1 h LYS 50 Ca -0.03 -0.41 -0.15 0.00 -0.85 0.00 0.00 60.65 59.21 1ss1 h LYS 50 Cb 1.52 0.01 0.02 0.00 -0.60 0.00 0.00 32.23 33.18 1ss1 h LYS 50 CO 0.12 1.04 -0.64 1.57 -3.45 0.00 0.00 179.45 178.09 1ss1 h LYS 51 N 0.65 0.27 -0.15 1.90 2.10 -1.13 -3.19 116.57 117.02 1ss1 h LYS 51 Ca 0.05 -0.42 0.04 0.00 -2.00 0.00 0.00 60.65 58.33 1ss1 h LYS 51 Cb 0.94 0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 32.38 1ss1 h LYS 51 CO 0.09 1.17 -0.10 1.25 -2.00 0.00 0.00 179.45 179.86 1ss1 h LEU 52 N -0.42 -0.33 -1.86 7.07 6.46 -1.36 0.49 115.31 125.37 1ss1 h LEU 52 Ca -0.11 0.07 0.15 0.00 -0.12 0.00 0.00 57.88 57.88 1ss1 h LEU 52 Cb 1.47 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.54 1ss1 h LEU 52 CO 0.12 -0.14 0.42 -1.13 -0.62 0.00 0.00 178.44 177.10 1ss1 h ASN 53 N -0.10 0.13 0.80 1.25 -1.24 -1.50 0.91 115.58 115.83 1ss1 h ASN 53 Ca 0.09 0.01 -0.19 0.00 0.71 0.00 0.00 56.30 56.92 1ss1 h ASN 53 Cb 0.24 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1ss1 h ASN 53 CO -0.21 0.07 -0.90 0.44 -1.29 0.00 0.00 177.43 175.54 1ss1 h ASP 54 N 0.14 0.08 -0.37 1.15 3.32 -0.97 0.54 116.42 120.31 1ss1 h ASP 54 Ca 0.29 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.37 1ss1 h ASP 54 Cb 0.96 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1ss1 h ASP 54 CO -0.04 0.93 0.26 0.00 -1.72 0.00 0.00 179.24 178.68 1ss1 h ALA 55 N 1.06 2.26 -3.00 3.45 0.00 0.55 -3.33 119.26 120.25 1ss1 h ALA 55 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ss1 h ALA 55 Cb 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1ss1 h ALA 55 CO 0.12 -0.36 0.00 1.04 0.00 0.00 0.00 179.25 180.06 1ss1 n GLN 56 N -4.44 0.00 -2.65 0.00 6.02 -0.17 -5.09 117.38 111.04 1ss1 n GLN 56 Ca 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.01 1ss1 n GLN 56 Cb 0.40 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.73 1ss1 n GLN 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ss1 n ALA 57 N -3.00 -3.98 -1.06 -1.58 0.00 0.18 -5.02 120.51 106.05 1ss1 n ALA 57 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1ss1 n ALA 57 Cb 0.00 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 15.82 1ss1 n ALA 57 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ss1 n PRO 58 N 1.71 0.00 -3.17 0.00 -0.01 -1.21 -2.88 135.00 129.43 1ss1 n PRO 58 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 63.50 63.41 1ss1 n PRO 58 Cb 0.71 -1.03 0.01 0.00 -0.01 0.00 0.00 33.50 33.17 1ss1 n PRO 58 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 175.50 177.12 1ss1 n LYS 59 N 1.26 -1.69 0.00 -0.52 5.02 -0.47 -5.01 118.16 116.74 1ss1 n LYS 59 Ca 0.15 1.53 0.11 0.00 -2.02 0.00 0.00 58.31 58.08 1ss1 n LYS 59 Cb 0.04 -4.80 0.09 0.00 -0.02 0.00 0.00 35.03 30.35 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88