#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 0.00 1.61 2.88 -1.26 -4.22 113.62 112.63 1ss1 n SER 0 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ss1 n SER 0 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ss1 n SER 0 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ss1 n THR 1 N 0.00 0.00 0.00 2.46 5.66 -1.26 -5.08 114.28 116.06 1ss1 n THR 1 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ss1 n THR 1 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ss1 n THR 1 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ss1 n ALA 2 N -0.81 0.00 -0.29 1.79 0.00 -1.26 -4.95 120.51 114.99 1ss1 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ss1 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.10 0.00 -3.59 0.00 2.03 -1.26 -4.83 116.55 108.81 1ss1 n ASP 3 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1ss1 n ASP 3 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1ss1 n ASP 3 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ss1 s ASN 4 N -3.00 -0.45 0.00 1.67 4.22 -1.26 -5.06 114.94 111.06 1ss1 s ASN 4 Ca 0.00 0.25 0.00 0.00 -2.14 0.00 0.00 52.86 50.97 1ss1 s ASN 4 Cb 0.00 0.48 0.00 0.00 1.28 0.00 0.00 41.25 43.01 1ss1 s ASN 4 CO 0.00 -0.68 0.86 1.17 -2.04 0.00 0.00 177.10 176.41 1ss1 n LYS 5 N 0.57 0.00 -3.72 3.55 3.00 -1.26 -4.88 118.16 115.42 1ss1 n LYS 5 Ca -0.19 0.71 -0.30 0.00 -0.00 0.00 0.00 58.31 58.53 1ss1 n LYS 5 Cb 0.59 -1.36 0.03 0.00 0.00 0.00 0.00 35.03 34.30 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 -2.17 -1.93 -0.75 5.64 3.01 -1.26 -4.91 117.46 115.09 1ss1 n PHE 6 Ca 0.00 0.51 -0.13 0.00 1.01 0.00 0.00 57.45 58.84 1ss1 n PHE 6 Cb 0.00 -3.25 0.04 0.00 -0.01 0.00 0.00 39.48 36.26 1ss1 n PHE 6 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1ss1 n ASN 7 N -2.47 -2.44 -0.17 4.37 3.02 -1.26 -2.76 115.26 113.55 1ss1 n ASN 7 Ca -0.13 -0.09 0.10 0.00 -0.03 0.00 0.00 54.58 54.43 1ss1 n ASN 7 Cb 0.59 -0.57 0.42 0.00 -0.61 0.00 0.00 39.78 39.61 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1ss1 h LYS 8 N -1.96 0.58 0.06 3.52 6.56 -1.98 0.88 116.57 124.23 1ss1 h LYS 8 Ca -0.15 -0.03 -0.26 0.00 -1.06 0.00 0.00 60.65 59.15 1ss1 h LYS 8 Cb 0.49 -0.13 0.01 0.00 -0.57 0.00 0.00 32.23 32.03 1ss1 h LYS 8 CO 0.09 0.38 -1.09 0.93 -2.06 0.00 0.00 179.45 177.70 1ss1 h GLU 9 N 0.60 0.47 0.16 3.15 3.07 -2.01 -3.09 114.58 116.93 1ss1 h GLU 9 Ca 0.34 -0.58 -0.26 0.00 -0.50 0.00 0.00 59.36 58.35 1ss1 h GLU 9 Cb 0.51 0.18 0.03 0.00 -0.84 0.00 0.00 28.75 28.63 1ss1 h GLU 9 CO -0.12 1.22 -1.11 0.37 -1.40 0.00 0.00 179.01 177.97 1ss1 h GLN 10 N 0.23 0.46 0.00 2.33 5.75 -1.58 -3.26 115.11 119.05 1ss1 h GLN 10 Ca -0.12 -0.72 -0.00 0.00 -0.15 0.00 0.00 58.65 57.65 1ss1 h GLN 10 Cb 1.75 0.26 -0.00 0.00 1.07 0.00 0.00 27.48 30.56 1ss1 h GLN 10 CO 0.19 1.33 -0.01 0.37 -2.65 0.00 0.00 178.83 178.07 1ss1 h GLN 11 N -0.04 0.00 -0.88 1.69 4.15 0.95 -1.60 115.11 119.38 1ss1 h GLN 11 Ca -0.19 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.39 1ss1 h GLN 11 Cb 1.85 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 29.47 1ss1 h GLN 11 CO 0.21 0.01 0.57 -0.97 -1.93 0.00 0.00 178.83 176.72 1ss1 h ASN 12 N 0.00 0.57 -0.94 -0.69 -0.73 -1.58 0.04 115.58 112.25 1ss1 h ASN 12 Ca -0.00 0.04 0.11 0.00 1.87 0.00 0.00 56.30 58.32 1ss1 h ASN 12 Cb 0.02 -0.07 -0.07 0.00 0.27 0.00 0.00 38.32 38.46 1ss1 h ASN 12 CO 0.00 0.27 0.60 0.00 -0.37 0.00 0.00 177.43 177.93 1ss1 h ALA 13 N 1.61 1.61 0.37 1.57 0.00 -1.47 -1.91 119.26 121.04 1ss1 h ALA 13 Ca 0.45 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1ss1 h ALA 13 Cb 0.85 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1ss1 h ALA 13 CO -0.20 0.17 -0.41 0.35 0.00 0.00 0.00 179.25 179.16 1ss1 h PHE 14 N 0.91 -1.12 0.44 0.00 3.57 -1.14 0.45 116.94 120.05 1ss1 h PHE 14 Ca 0.45 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.95 1ss1 h PHE 14 Cb 0.48 0.44 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1ss1 h PHE 14 CO -0.00 -0.56 -0.24 2.35 -2.23 0.00 0.00 178.31 177.63 1ss1 h TRP 15 N -0.81 -0.62 -0.25 0.41 7.01 -1.56 0.49 115.95 120.61 1ss1 h TRP 15 Ca -0.03 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.04 1ss1 h TRP 15 Cb 0.73 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 1ss1 h TRP 15 CO -0.24 -0.38 0.29 0.93 -2.79 0.00 0.00 178.44 176.25 1ss1 h GLU 16 N -0.63 0.00 0.05 2.65 4.39 -1.27 2.87 114.58 122.63 1ss1 h GLU 16 Ca -0.06 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 1ss1 h GLU 16 Cb 0.50 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1ss1 h GLU 16 CO 0.08 0.00 -0.38 0.82 -1.16 0.00 0.00 179.01 178.36 1ss1 h ILE 17 N 0.00 1.60 0.00 3.13 2.04 0.90 -2.28 117.51 122.90 1ss1 h ILE 17 Ca 0.12 -2.26 -0.10 0.00 1.00 0.00 0.00 64.86 63.62 1ss1 h ILE 17 Cb 0.70 3.08 -0.01 0.00 -0.74 0.00 0.00 36.82 39.84 1ss1 h ILE 17 CO -0.00 0.62 -0.49 -0.07 0.00 0.00 0.00 178.15 178.20 1ss1 h LEU 18 N -0.57 0.00 0.32 1.44 -0.00 0.29 -3.30 115.31 113.48 1ss1 h LEU 18 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.80 1ss1 h LEU 18 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1ss1 h LEU 18 CO 0.07 0.49 -0.15 -0.74 -0.00 0.00 0.00 178.44 178.11 1ss1 h HIS 19 N 0.00 -0.40 -3.67 1.13 2.76 0.49 -3.45 115.15 112.00 1ss1 h HIS 19 Ca -0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1ss1 h HIS 19 Cb 1.03 0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.12 1ss1 h HIS 19 CO 0.00 -0.25 0.00 1.28 -1.30 0.00 0.00 177.93 177.66 1ss1 n LEU 20 N -4.40 0.00 -4.56 0.26 4.77 -0.86 -4.56 117.00 107.65 1ss1 n LEU 20 Ca -0.05 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.69 1ss1 n LEU 20 Cb 0.17 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1ss1 n LEU 20 CO 0.13 0.00 1.58 -2.84 -1.33 0.00 0.00 177.39 174.93 1ss1 s PRO 21 N -2.24 1.80 0.00 3.23 0.02 -1.26 -1.05 135.00 135.50 1ss1 s PRO 21 Ca 0.00 0.91 0.00 0.00 0.02 0.00 0.00 61.00 61.93 1ss1 s PRO 21 Cb 0.00 -4.70 0.00 0.00 0.02 0.00 0.00 34.50 29.82 1ss1 s PRO 21 CO 0.00 -3.95 0.00 0.09 -0.33 0.00 0.00 177.00 172.81 1ss1 n ASN 22 N 17.55 0.00 -4.40 2.53 4.13 -1.26 -5.01 115.26 128.79 1ss1 n ASN 22 Ca 0.42 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.39 1ss1 n ASN 22 Cb 0.48 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.60 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 2.38 -0.16 3.41 2.96 -0.22 -3.60 118.68 123.45 1ss1 s LEU 23 Ca 0.00 -0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 1ss1 s LEU 23 Cb 0.00 -1.29 -0.06 0.00 0.50 0.00 0.00 46.19 45.34 1ss1 s LEU 23 CO 0.00 0.19 2.17 -0.46 -1.32 0.00 0.00 176.35 176.93 1ss1 n ASN 24 N 0.97 3.46 0.32 3.68 6.94 -1.26 -4.75 115.26 124.61 1ss1 n ASN 24 Ca -0.17 0.37 0.17 0.00 -0.02 0.00 0.00 54.58 54.93 1ss1 n ASN 24 Cb 0.53 -1.55 0.91 0.00 -2.36 0.00 0.00 39.78 37.31 1ss1 n ASN 24 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1ss1 h GLU 25 N 14.01 0.00 0.00 -3.83 4.57 -1.96 1.44 114.58 128.80 1ss1 h GLU 25 Ca -0.43 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.66 1ss1 h GLU 25 Cb 1.24 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1ss1 h GLU 25 CO 0.96 0.00 -0.43 1.05 -1.18 0.00 0.00 179.01 179.41 1ss1 h GLU 26 N 0.00 0.00 -0.12 1.92 4.11 -2.00 -1.77 114.58 116.72 1ss1 h GLU 26 Ca 0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.24 1ss1 h GLU 26 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 1ss1 h GLU 26 CO -0.00 0.43 -0.74 0.37 0.07 0.00 0.00 179.01 179.14 1ss1 h GLN 27 N 0.00 0.70 0.49 1.06 5.75 0.16 -2.20 115.11 121.07 1ss1 h GLN 27 Ca -0.00 -0.60 -0.02 0.00 -0.15 0.00 0.00 58.65 57.87 1ss1 h GLN 27 Cb 0.95 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.64 1ss1 h GLN 27 CO 0.06 1.21 -0.25 0.00 -2.65 0.00 0.00 178.83 177.20 1ss1 h ARG 28 N 0.39 -0.65 -0.77 1.69 3.08 -1.10 0.28 114.38 117.30 1ss1 h ARG 28 Ca -0.06 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.20 1ss1 h ARG 28 Cb 1.38 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 31.47 1ss1 h ARG 28 CO 0.15 -0.43 0.26 -0.97 -1.07 0.00 0.00 179.97 177.90 1ss1 h ASN 29 N -0.68 0.16 -0.34 7.04 -1.24 -1.36 1.27 115.58 120.43 1ss1 h ASN 29 Ca -0.06 0.14 -0.05 0.00 0.71 0.00 0.00 56.30 57.03 1ss1 h ASN 29 Cb 0.53 0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.71 1ss1 h ASN 29 CO 0.10 0.02 0.04 1.23 -1.29 0.00 0.00 177.43 177.53 1ss1 h GLY 30 N 0.35 0.72 0.66 1.57 0.00 -0.93 -1.90 103.07 103.55 1ss1 h GLY 30 Ca 0.44 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1ss1 h GLY 30 CO -0.48 0.40 -0.08 0.74 0.00 0.00 0.00 176.54 177.13 1ss1 h PHE 31 N 0.64 -0.20 -0.60 5.60 0.04 0.43 -2.21 116.94 120.65 1ss1 h PHE 31 Ca 0.14 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.97 1ss1 h PHE 31 Cb 0.34 0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.49 1ss1 h PHE 31 CO 0.02 0.14 0.28 0.97 -0.60 0.00 0.00 178.31 179.11 1ss1 h ILE 32 N -0.55 0.87 -0.00 -0.55 6.09 0.13 0.30 117.51 123.80 1ss1 h ILE 32 Ca -0.02 -0.17 -0.00 0.00 -1.37 0.00 0.00 64.86 63.29 1ss1 h ILE 32 Cb 0.42 0.32 -0.00 0.00 0.47 0.00 0.00 36.82 38.04 1ss1 h ILE 32 CO 0.04 0.09 0.00 1.56 -3.07 0.00 0.00 178.15 176.77 1ss1 h GLN 33 N 0.51 0.00 -0.87 2.19 1.08 -1.37 1.55 115.11 118.20 1ss1 h GLN 33 Ca 0.28 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.48 1ss1 h GLN 33 Cb 0.26 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 1ss1 h GLN 33 CO -0.23 0.09 0.54 0.77 -0.95 0.00 0.00 178.83 179.04 1ss1 h SER 34 N -0.08 1.03 -0.13 1.46 0.02 -0.94 -2.24 113.55 112.67 1ss1 h SER 34 Ca 0.00 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.71 1ss1 h SER 34 Cb 0.08 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.37 1ss1 h SER 34 CO -0.00 0.78 -0.66 0.25 -1.14 0.00 0.00 176.83 176.05 1ss1 h LEU 35 N 1.19 0.81 0.36 5.07 5.85 -0.04 -2.62 115.31 125.93 1ss1 h LEU 35 Ca 0.31 -0.64 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1ss1 h LEU 35 Cb -0.08 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 1ss1 h LEU 35 CO -0.06 1.31 -0.51 0.50 -0.34 0.00 0.00 178.44 179.35 1ss1 h LYS 36 N 0.35 -0.87 -0.10 1.25 3.64 0.27 -2.92 116.57 118.18 1ss1 h LYS 36 Ca -0.05 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ss1 h LYS 36 Cb 1.30 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.32 1ss1 h LYS 36 CO 0.14 -0.58 0.07 0.38 -2.27 0.00 0.00 179.45 177.18 1ss1 h ASP 37 N -0.90 0.12 -3.22 4.20 3.04 -1.53 -3.38 116.42 114.74 1ss1 h ASP 37 Ca -0.04 -0.01 -0.73 0.00 -3.24 0.00 0.00 57.03 53.01 1ss1 h ASP 37 Cb 0.82 -0.03 -0.22 0.00 -1.04 0.00 0.00 39.33 38.86 1ss1 h ASP 37 CO -0.14 0.09 -0.20 -0.62 -2.04 0.00 0.00 179.24 176.33 1ss1 s ASP 38 N -5.29 6.17 0.17 4.15 -1.08 -0.99 -4.92 116.67 114.88 1ss1 s ASP 38 Ca -0.13 -1.34 0.08 0.00 -0.52 0.00 0.00 52.55 50.65 1ss1 s ASP 38 Cb 0.07 -2.22 -0.07 0.00 -1.46 0.00 0.00 42.92 39.25 1ss1 s ASP 38 CO 0.68 -0.77 1.36 1.55 0.52 0.00 0.00 175.17 178.51 1ss1 h PRO 39 N 8.86 0.00 0.00 4.34 0.13 -1.73 -3.08 132.00 140.51 1ss1 h PRO 39 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 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 0.94 0.88 0.00 -1.13 -0.23 0.00 0.00 178.00 178.46 1ss1 n SER 40 N -3.43 0.34 0.07 1.44 3.41 -1.26 -1.72 113.62 112.48 1ss1 n SER 40 Ca -0.00 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 1ss1 n SER 40 Cb 0.86 -0.66 0.24 0.00 -0.26 0.00 0.00 64.21 64.39 1ss1 n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ss1 n GLN 41 N -1.89 0.28 -0.40 4.33 6.02 -1.16 -4.23 117.38 120.32 1ss1 n GLN 41 Ca 0.02 0.12 0.34 0.00 -0.01 0.00 0.00 57.00 57.48 1ss1 n GLN 41 Cb 0.18 -1.72 0.58 0.00 1.02 0.00 0.00 30.24 30.30 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 -2.15 0.18 -0.02 1.08 3.41 -0.70 0.69 113.62 116.11 1ss1 n SER 42 Ca 0.04 1.19 -0.15 0.00 -0.26 0.00 0.00 58.87 59.69 1ss1 n SER 42 Cb 0.43 -0.58 -0.11 0.00 -0.26 0.00 0.00 64.21 63.69 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 1.37 0.04 -0.07 7.33 0.00 -1.83 -1.25 119.26 124.85 1ss1 h ALA 43 Ca 0.75 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1ss1 h ALA 43 Cb 2.43 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 1ss1 h ALA 43 CO -0.40 0.11 -0.40 -0.91 0.00 0.00 0.00 179.25 177.65 1ss1 h ASN 44 N -0.45 0.14 0.01 0.00 2.35 -0.01 -1.73 115.58 115.90 1ss1 h ASN 44 Ca -0.03 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1ss1 h ASN 44 Cb 1.03 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1ss1 h ASN 44 CO 0.06 0.53 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.30 1ss1 h LEU 45 N 0.12 -0.01 -0.93 1.61 -0.00 -0.34 -1.66 115.31 114.11 1ss1 h LEU 45 Ca 0.01 -0.82 0.02 0.00 -0.00 0.00 0.00 57.88 57.09 1ss1 h LEU 45 Cb 0.76 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.37 1ss1 h LEU 45 CO 0.06 0.83 0.61 0.25 -0.00 0.00 0.00 178.44 180.19 1ss1 h LEU 46 N -0.87 1.04 0.02 1.67 5.85 -1.24 0.75 115.31 122.54 1ss1 h LEU 46 Ca -0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ss1 h LEU 46 Cb 0.83 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1ss1 h LEU 46 CO 0.00 0.73 -0.01 0.00 -0.34 0.00 0.00 178.44 178.82 1ss1 h ALA 47 N 1.36 -0.03 -0.61 1.25 0.00 -1.42 -0.03 119.26 119.77 1ss1 h ALA 47 Ca 0.35 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ss1 h ALA 47 Cb -0.08 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1ss1 h ALA 47 CO -0.10 -0.21 0.32 0.93 0.00 0.00 0.00 179.25 180.19 1ss1 h GLU 48 N -0.64 0.57 -0.23 0.00 3.07 -1.16 0.94 114.58 117.14 1ss1 h GLU 48 Ca -0.00 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.66 1ss1 h GLU 48 Cb 0.59 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1ss1 h GLU 48 CO 0.01 0.38 -0.50 0.00 -1.40 0.00 0.00 179.01 177.49 1ss1 h ALA 49 N 1.34 0.68 -0.68 3.43 0.00 -0.91 -0.08 119.26 123.04 1ss1 h ALA 49 Ca 0.28 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1ss1 h ALA 49 Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1ss1 h ALA 49 CO -0.19 0.68 0.25 0.87 0.00 0.00 0.00 179.25 180.85 1ss1 h LYS 50 N 0.50 1.03 0.14 0.00 1.79 -0.20 -2.06 116.57 117.77 1ss1 h LYS 50 Ca 0.02 -0.20 -0.29 0.00 -2.18 0.00 0.00 60.65 58.00 1ss1 h LYS 50 Cb 1.05 -0.16 0.03 0.00 -1.58 0.00 0.00 32.23 31.58 1ss1 h LYS 50 CO 0.10 0.87 -1.23 0.87 -1.08 0.00 0.00 179.45 178.98 1ss1 h LYS 51 N 0.97 0.58 -0.07 3.15 1.57 -0.80 -3.25 116.57 118.72 1ss1 h LYS 51 Ca 0.22 -0.82 0.04 0.00 -1.87 0.00 0.00 60.65 58.23 1ss1 h LYS 51 Cb 0.24 0.28 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 1ss1 h LYS 51 CO -0.01 1.37 -0.26 1.25 -0.57 0.00 0.00 179.45 181.23 1ss1 h LEU 52 N 0.19 -0.79 -1.71 2.94 6.46 -0.93 0.12 115.31 121.59 1ss1 h LEU 52 Ca -0.19 0.12 0.23 0.00 -0.12 0.00 0.00 57.88 57.92 1ss1 h LEU 52 Cb 1.91 0.34 -0.06 0.00 -0.73 0.00 0.00 40.66 42.12 1ss1 h LEU 52 CO 0.23 -0.32 0.62 -1.13 -0.62 0.00 0.00 178.44 177.23 1ss1 h ASN 53 N -0.36 0.23 1.16 1.25 -1.24 -1.48 0.83 115.58 115.97 1ss1 h ASN 53 Ca 0.08 0.03 -0.12 0.00 0.71 0.00 0.00 56.30 57.00 1ss1 h ASN 53 Cb 0.48 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 1ss1 h ASN 53 CO -0.28 0.08 -0.56 0.44 -1.29 0.00 0.00 177.43 175.83 1ss1 h ASP 54 N 0.22 0.00 0.33 1.15 3.32 -0.94 0.43 116.42 120.93 1ss1 h ASP 54 Ca 0.46 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.18 1ss1 h ASP 54 Cb 1.43 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.99 1ss1 h ASP 54 CO -0.11 0.56 -1.61 0.00 -1.72 0.00 0.00 179.24 176.35 1ss1 h ALA 55 N 1.44 0.17 -0.01 3.45 0.00 0.28 -3.37 119.26 121.23 1ss1 h ALA 55 Ca -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1ss1 h ALA 55 Cb 1.29 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1ss1 h ALA 55 CO 0.07 1.04 -0.20 0.94 0.00 0.00 0.00 179.25 181.11 1ss1 n GLN 56 N -3.54 1.55 -1.40 0.00 0.00 0.13 -5.00 117.38 109.12 1ss1 n GLN 56 Ca -0.20 -1.00 -0.43 0.00 -0.00 0.00 0.00 57.00 55.37 1ss1 n GLN 56 Cb 1.06 -1.26 -0.14 0.00 0.00 0.00 0.00 30.24 29.91 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 0.22 0.27 -2.59 1.69 0.00 0.15 -4.87 120.51 115.37 1ss1 n ALA 57 Ca 0.07 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.93 1ss1 n ALA 57 Cb 0.34 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 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 8.15 4.44 -0.15 0.00 0.04 -1.24 -4.99 135.00 141.26 1ss1 s PRO 58 Ca 1.29 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 1ss1 s PRO 58 Cb -1.26 -3.41 -0.06 0.00 0.04 0.00 0.00 34.50 29.81 1ss1 s PRO 58 CO 0.51 0.16 2.11 0.15 0.04 0.00 0.00 177.00 179.96 1ss1 s LYS 59 N 0.43 3.47 0.00 4.56 -0.14 -1.26 -4.90 119.74 121.89 1ss1 s LYS 59 Ca 0.38 2.17 0.00 0.00 -1.36 0.00 0.00 55.97 57.16 1ss1 s LYS 59 Cb -0.19 -4.29 0.00 0.00 -1.68 0.00 0.00 37.83 31.67 1ss1 s LYS 59 CO 0.20 -1.72 0.00 0.00 -0.76 0.00 0.00 175.35 173.07