#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 -1.20 0.00 1.61 3.41 -1.26 -5.04 113.62 111.14 1ss1 n SER 0 Ca 0.00 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1ss1 n SER 0 Cb 0.00 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1ss1 n SER 0 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ss1 n THR 1 N -1.04 0.00 0.00 6.66 5.66 -1.26 -5.06 114.28 119.24 1ss1 n THR 1 Ca -0.09 1.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.93 1ss1 n THR 1 Cb 0.86 -1.90 0.00 0.00 -1.55 0.00 0.00 70.33 67.74 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 -1.17 0.00 -3.02 1.79 0.00 -1.26 -5.04 120.51 111.82 1ss1 n ALA 2 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1ss1 n ALA 2 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1ss1 n ALA 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ss1 n ASP 3 N 0.00 -4.49 0.03 0.00 9.92 -1.26 -5.00 116.55 115.74 1ss1 n ASP 3 Ca 0.00 -0.27 0.00 0.00 -0.53 0.00 0.00 54.79 53.99 1ss1 n ASP 3 Cb 0.00 -3.15 0.00 0.00 -0.64 0.00 0.00 41.12 37.33 1ss1 n ASP 3 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1ss1 n ASN 4 N -1.04 0.00 0.00 -2.24 3.02 -1.26 -4.30 115.26 109.44 1ss1 n ASN 4 Ca -0.02 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1ss1 n ASN 4 Cb 0.55 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.42 1ss1 n ASN 4 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ss1 n LYS 5 N 0.00 0.81 -1.30 3.52 3.00 -1.26 -4.81 118.16 118.12 1ss1 n LYS 5 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 1ss1 n LYS 5 Cb 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 35.03 33.46 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 -0.96 0.16 -0.04 5.64 3.01 -1.26 -4.85 117.46 119.16 1ss1 n PHE 6 Ca 0.18 -0.01 -0.04 0.00 1.01 0.00 0.00 57.45 58.58 1ss1 n PHE 6 Cb 0.08 -0.82 0.04 0.00 -0.01 0.00 0.00 39.48 38.77 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 7.19 -2.19 -0.14 4.37 0.23 -1.26 -3.56 115.26 119.91 1ss1 n ASN 7 Ca 0.36 -0.12 -0.06 0.00 -0.53 0.00 0.00 54.58 54.23 1ss1 n ASN 7 Cb 0.34 -0.14 0.02 0.00 -2.08 0.00 0.00 39.78 37.92 1ss1 n ASN 7 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1ss1 h LYS 8 N 0.00 0.48 -0.55 -3.83 6.56 -1.97 1.28 116.57 118.55 1ss1 h LYS 8 Ca -0.05 -0.03 -0.08 0.00 -1.06 0.00 0.00 60.65 59.42 1ss1 h LYS 8 Cb 0.18 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.71 1ss1 h LYS 8 CO 0.03 0.32 0.01 1.49 -2.06 0.00 0.00 179.45 179.25 1ss1 h GLU 9 N 0.50 0.95 0.08 3.15 4.57 -1.98 -1.83 114.58 120.02 1ss1 h GLU 9 Ca 0.18 -0.30 -0.13 0.00 -1.18 0.00 0.00 59.36 57.93 1ss1 h GLU 9 Cb 0.03 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1ss1 h GLU 9 CO -0.09 0.96 -0.55 0.37 -1.18 0.00 0.00 179.01 178.51 1ss1 h GLN 10 N 0.83 0.22 -0.43 1.92 5.75 -1.79 -3.31 115.11 118.30 1ss1 h GLN 10 Ca 0.16 -0.35 0.04 0.00 -0.15 0.00 0.00 58.65 58.35 1ss1 h GLN 10 Cb 0.52 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 1ss1 h GLN 10 CO 0.03 1.15 0.29 0.37 -2.65 0.00 0.00 178.83 178.01 1ss1 h GLN 11 N -0.52 0.39 -0.89 1.69 5.75 0.16 -0.98 115.11 120.71 1ss1 h GLN 11 Ca -0.09 -0.02 0.15 0.00 -0.15 0.00 0.00 58.65 58.54 1ss1 h GLN 11 Cb 1.41 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 29.80 1ss1 h GLN 11 CO 0.10 0.26 0.58 -0.97 -2.65 0.00 0.00 178.83 176.15 1ss1 h ASN 12 N 0.41 0.61 -1.00 -0.69 -1.24 -1.42 0.50 115.58 112.75 1ss1 h ASN 12 Ca 0.18 0.04 0.12 0.00 0.71 0.00 0.00 56.30 57.35 1ss1 h ASN 12 Cb 0.22 -0.08 -0.08 0.00 0.73 0.00 0.00 38.32 39.11 1ss1 h ASN 12 CO -0.04 0.30 0.63 0.00 -1.29 0.00 0.00 177.43 177.02 1ss1 h ALA 13 N 1.61 1.50 0.24 1.57 0.00 -1.32 -2.09 119.26 120.76 1ss1 h ALA 13 Ca 0.45 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1ss1 h ALA 13 Cb 0.80 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ss1 h ALA 13 CO -0.21 0.24 -0.35 0.35 0.00 0.00 0.00 179.25 179.28 1ss1 h PHE 14 N 1.00 -0.97 0.67 0.00 3.57 -1.01 0.64 116.94 120.85 1ss1 h PHE 14 Ca 0.49 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.98 1ss1 h PHE 14 Cb 0.47 0.39 0.01 0.00 2.79 0.00 0.00 35.95 39.61 1ss1 h PHE 14 CO -0.00 -0.48 -0.32 -1.49 -2.23 0.00 0.00 178.31 173.78 1ss1 h TRP 15 N -0.66 -0.84 -0.14 0.41 6.55 -1.55 0.41 115.95 120.13 1ss1 h TRP 15 Ca 0.00 -0.02 0.04 0.00 0.95 0.00 0.00 58.89 59.86 1ss1 h TRP 15 Cb 0.64 0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 29.21 1ss1 h TRP 15 CO -0.26 -0.50 0.17 0.93 -1.05 0.00 0.00 178.44 177.73 1ss1 h GLU 16 N -0.97 0.00 0.00 0.49 3.07 -1.36 1.71 114.58 117.52 1ss1 h GLU 16 Ca -0.09 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1ss1 h GLU 16 Cb 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1ss1 h GLU 16 CO 0.15 0.00 -0.04 0.82 -1.40 0.00 0.00 179.01 178.55 1ss1 h ILE 17 N 0.00 1.70 -0.01 3.13 2.04 0.76 -2.34 117.51 122.79 1ss1 h ILE 17 Ca 0.07 -2.09 -0.13 0.00 1.00 0.00 0.00 64.86 63.70 1ss1 h ILE 17 Cb 0.41 3.11 -0.02 0.00 -0.74 0.00 0.00 36.82 39.58 1ss1 h ILE 17 CO -0.00 0.55 -0.63 -0.07 0.00 0.00 0.00 178.15 178.00 1ss1 h LEU 18 N -0.85 0.04 0.34 1.44 -0.00 0.10 -3.30 115.31 113.08 1ss1 h LEU 18 Ca -0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 1ss1 h LEU 18 Cb 0.92 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 1ss1 h LEU 18 CO 0.01 0.66 -0.16 -0.74 -0.00 0.00 0.00 178.44 178.20 1ss1 h HIS 19 N 0.03 -0.42 -5.68 1.13 2.76 0.24 -3.45 115.15 109.76 1ss1 h HIS 19 Ca -0.01 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1ss1 h HIS 19 Cb 1.11 0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.21 1ss1 h HIS 19 CO 0.00 -0.26 0.00 1.28 -1.30 0.00 0.00 177.93 177.65 1ss1 n LEU 20 N -3.98 0.00 -4.51 0.26 4.77 -0.88 -4.42 117.00 108.24 1ss1 n LEU 20 Ca -0.06 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.70 1ss1 n LEU 20 Cb 0.18 0.00 -0.20 0.00 -2.33 0.00 0.00 43.42 41.07 1ss1 n LEU 20 CO 0.14 0.00 1.96 -2.65 -1.33 0.00 0.00 177.39 175.51 1ss1 n PRO 21 N -0.79 0.11 0.00 3.23 -0.02 -1.26 -0.57 135.00 135.70 1ss1 n PRO 21 Ca 0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1ss1 n PRO 21 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 8.17 0.00 -3.63 2.55 4.13 -1.26 -5.05 115.26 120.17 1ss1 n ASN 22 Ca 0.64 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.57 1ss1 n ASN 22 Cb 0.18 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.44 1ss1 n ASN 22 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1ss1 n LEU 23 N 0.00 -4.21 -4.64 3.41 0.00 0.26 -4.57 117.00 107.26 1ss1 n LEU 23 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 56.01 55.97 1ss1 n LEU 23 Cb 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 43.42 42.68 1ss1 n LEU 23 CO 0.00 -4.73 1.57 0.21 0.00 0.00 0.00 177.39 174.44 1ss1 s ASN 24 N -0.88 6.19 0.59 1.96 2.47 -1.26 -4.82 114.94 119.19 1ss1 s ASN 24 Ca 0.43 2.09 0.29 0.00 0.42 0.00 0.00 52.86 56.09 1ss1 s ASN 24 Cb -0.31 -2.53 1.79 0.00 -1.45 0.00 0.00 41.25 38.76 1ss1 s ASN 24 CO 0.65 -1.34 2.25 1.05 -3.72 0.00 0.00 177.10 175.99 1ss1 h GLU 25 N 11.68 0.00 0.00 0.43 9.09 -1.93 0.70 114.58 134.55 1ss1 h GLU 25 Ca -0.41 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 58.90 1ss1 h GLU 25 Cb 1.20 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.29 1ss1 h GLU 25 CO 0.97 0.00 -0.47 1.49 0.05 0.00 0.00 179.01 181.05 1ss1 h GLU 26 N 0.00 0.00 -0.04 1.06 4.57 -1.99 0.18 114.58 118.36 1ss1 h GLU 26 Ca -0.00 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.93 1ss1 h GLU 26 Cb 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1ss1 h GLU 26 CO 0.00 0.47 -0.97 1.96 -1.18 0.00 0.00 179.01 179.30 1ss1 h GLN 27 N 0.00 0.68 0.28 1.92 1.08 -0.15 -2.28 115.11 116.65 1ss1 h GLN 27 Ca -0.00 -0.68 -0.01 0.00 -1.45 0.00 0.00 58.65 56.50 1ss1 h GLN 27 Cb 0.98 0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1ss1 h GLN 27 CO 0.06 1.28 -0.17 0.00 -0.95 0.00 0.00 178.83 179.05 1ss1 h ARG 28 N 0.41 -0.41 -0.44 1.46 3.08 0.02 -1.02 114.38 117.47 1ss1 h ARG 28 Ca -0.10 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.06 1ss1 h ARG 28 Cb 1.61 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 31.66 1ss1 h ARG 28 CO 0.19 -0.27 -0.15 -0.97 -1.07 0.00 0.00 179.97 177.70 1ss1 h ASN 29 N -0.43 -0.52 -0.79 7.04 -1.24 -0.67 0.29 115.58 119.27 1ss1 h ASN 29 Ca -0.03 0.15 0.13 0.00 0.71 0.00 0.00 56.30 57.25 1ss1 h ASN 29 Cb 0.35 0.32 -0.06 0.00 0.73 0.00 0.00 38.32 39.66 1ss1 h ASN 29 CO 0.04 -0.18 0.52 1.23 -1.29 0.00 0.00 177.43 177.74 1ss1 h GLY 30 N -0.05 0.91 1.39 1.57 0.00 -1.04 0.76 103.07 106.62 1ss1 h GLY 30 Ca 0.21 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 1ss1 h GLY 30 CO -0.48 0.10 -0.23 0.74 0.00 0.00 0.00 176.54 176.67 1ss1 h PHE 31 N 0.57 0.79 -0.46 5.60 0.04 0.84 -2.15 116.94 122.17 1ss1 h PHE 31 Ca 0.38 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.92 1ss1 h PHE 31 Cb 0.68 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 1ss1 h PHE 31 CO -0.00 0.87 0.08 0.82 -0.60 0.00 0.00 178.31 179.47 1ss1 h ILE 32 N 0.61 1.25 -0.01 -0.55 2.04 0.85 0.49 117.51 122.19 1ss1 h ILE 32 Ca 0.09 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 1ss1 h ILE 32 Cb 0.72 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1ss1 h ILE 32 CO 0.06 0.32 0.00 1.56 0.00 0.00 0.00 178.15 180.09 1ss1 h GLN 33 N 0.63 0.02 -0.66 2.37 4.20 -1.23 0.48 115.11 120.92 1ss1 h GLN 33 Ca 0.14 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1ss1 h GLN 33 Cb 0.39 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1ss1 h GLN 33 CO 0.01 0.29 0.30 1.03 -0.67 0.00 0.00 178.83 179.78 1ss1 h SER 34 N -0.25 0.89 0.04 1.46 0.87 -1.38 -2.10 113.55 113.08 1ss1 h SER 34 Ca 0.00 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1ss1 h SER 34 Cb 0.28 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1ss1 h SER 34 CO 0.00 0.79 -0.02 0.25 -0.53 0.00 0.00 176.83 177.32 1ss1 h LEU 35 N 0.93 -0.04 0.31 2.23 5.85 -0.83 -3.12 115.31 120.63 1ss1 h LEU 35 Ca 0.22 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1ss1 h LEU 35 Cb 0.16 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1ss1 h LEU 35 CO -0.02 0.40 -0.52 0.50 -0.34 0.00 0.00 178.44 178.45 1ss1 h LYS 36 N -0.49 -0.85 0.00 1.25 3.64 0.05 -0.69 116.57 119.47 1ss1 h LYS 36 Ca -0.01 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1ss1 h LYS 36 Cb 0.45 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1ss1 h LYS 36 CO 0.01 -0.57 0.29 0.22 -2.27 0.00 0.00 179.45 177.13 1ss1 h ASP 37 N -0.89 0.00 -2.39 4.20 1.82 -1.49 -3.34 116.42 114.33 1ss1 h ASP 37 Ca -0.04 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.24 1ss1 h ASP 37 Cb 0.82 0.00 -0.35 0.00 0.68 0.00 0.00 39.33 40.48 1ss1 h ASP 37 CO -0.18 0.00 -0.66 -0.62 -1.61 0.00 0.00 179.24 176.17 1ss1 s ASP 38 N -4.16 1.94 0.38 2.28 -1.08 -0.27 -5.00 116.67 110.75 1ss1 s ASP 38 Ca -0.03 -0.69 0.13 0.00 -0.52 0.00 0.00 52.55 51.45 1ss1 s ASP 38 Cb 0.07 0.30 0.75 0.00 -1.46 0.00 0.00 42.92 42.59 1ss1 s ASP 38 CO 0.23 -0.38 1.84 1.55 0.52 0.00 0.00 175.17 178.94 1ss1 h PRO 39 N 8.31 0.00 0.00 4.34 0.13 -1.68 -2.04 132.00 141.06 1ss1 h PRO 39 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1ss1 h PRO 39 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ss1 h PRO 39 CO 0.34 0.35 0.00 0.45 -0.23 0.00 0.00 178.00 178.91 1ss1 n SER 40 N -4.11 0.00 -0.28 1.44 2.88 -1.26 -1.92 113.62 110.36 1ss1 n SER 40 Ca -0.02 0.28 0.12 0.00 -1.33 0.00 0.00 58.87 57.92 1ss1 n SER 40 Cb 0.39 -0.39 0.14 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.39 0.77 -0.31 -1.46 6.02 -0.77 -4.50 117.38 115.75 1ss1 n GLN 41 Ca 0.05 -0.57 0.30 0.00 -0.01 0.00 0.00 57.00 56.78 1ss1 n GLN 41 Cb 0.14 -1.49 0.56 0.00 1.02 0.00 0.00 30.24 30.47 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 -0.62 0.32 -0.08 1.08 3.41 -0.81 0.42 113.62 117.34 1ss1 n SER 42 Ca 0.09 1.54 -0.14 0.00 -0.26 0.00 0.00 58.87 60.11 1ss1 n SER 42 Cb 0.39 -0.75 -0.05 0.00 -0.26 0.00 0.00 64.21 63.54 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 1.86 0.37 -0.65 7.33 0.00 -1.85 0.43 119.26 126.74 1ss1 h ALA 43 Ca 0.80 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 1ss1 h ALA 43 Cb 2.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 1ss1 h ALA 43 CO -0.71 0.39 0.07 -0.91 0.00 0.00 0.00 179.25 178.09 1ss1 h ASN 44 N 0.35 1.07 0.01 0.00 2.35 -0.35 0.11 115.58 119.11 1ss1 h ASN 44 Ca 0.03 -0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1ss1 h ASN 44 Cb 0.88 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1ss1 h ASN 44 CO 0.07 1.08 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.86 1ss1 h LEU 45 N 1.02 -0.01 -0.74 1.61 -0.00 -1.11 -2.20 115.31 113.88 1ss1 h LEU 45 Ca 0.19 -0.84 0.00 0.00 -0.00 0.00 0.00 57.88 57.23 1ss1 h LEU 45 Cb 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.12 1ss1 h LEU 45 CO 0.02 0.87 0.46 0.25 -0.00 0.00 0.00 178.44 180.04 1ss1 h LEU 46 N -0.91 0.87 -0.13 1.67 6.46 -0.18 0.17 115.31 123.26 1ss1 h LEU 46 Ca -0.00 -0.05 -0.16 0.00 -0.12 0.00 0.00 57.88 57.55 1ss1 h LEU 46 Cb 0.85 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1ss1 h LEU 46 CO 0.00 0.66 -0.54 0.00 -0.62 0.00 0.00 178.44 177.94 1ss1 h ALA 47 N 1.25 0.24 -0.73 1.25 0.00 -0.91 -1.25 119.26 119.12 1ss1 h ALA 47 Ca 0.27 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1ss1 h ALA 47 Cb -0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1ss1 h ALA 47 CO -0.05 0.46 0.37 0.93 0.00 0.00 0.00 179.25 180.95 1ss1 h GLU 48 N 0.25 1.04 -0.27 0.00 4.39 -1.24 -1.94 114.58 116.81 1ss1 h GLU 48 Ca -0.03 -0.14 -0.18 0.00 0.34 0.00 0.00 59.36 59.35 1ss1 h GLU 48 Cb 1.18 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1ss1 h GLU 48 CO 0.11 0.80 -0.53 0.00 -1.16 0.00 0.00 179.01 178.24 1ss1 h ALA 49 N 1.18 0.55 0.54 3.43 0.00 -0.99 -0.64 119.26 123.33 1ss1 h ALA 49 Ca 0.25 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1ss1 h ALA 49 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ss1 h ALA 49 CO -0.04 0.68 -0.32 0.87 0.00 0.00 0.00 179.25 180.45 1ss1 h LYS 50 N 0.62 -0.78 -0.38 0.00 1.79 -0.93 -1.53 116.57 115.36 1ss1 h LYS 50 Ca 0.02 0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.44 1ss1 h LYS 50 Cb 1.12 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.93 1ss1 h LYS 50 CO 0.11 -0.52 -0.18 1.57 -1.08 0.00 0.00 179.45 179.36 1ss1 h LYS 51 N -0.81 0.72 0.15 3.15 5.09 -1.42 -3.18 116.57 120.27 1ss1 h LYS 51 Ca -0.06 -0.26 0.02 0.00 0.09 0.00 0.00 60.65 60.43 1ss1 h LYS 51 Cb 0.65 -0.05 -0.04 0.00 0.10 0.00 0.00 32.23 32.90 1ss1 h LYS 51 CO 0.07 0.85 -0.33 1.25 -2.09 0.00 0.00 179.45 179.21 1ss1 h LEU 52 N 0.64 -0.94 -0.46 7.07 5.85 -0.92 0.26 115.31 126.82 1ss1 h LEU 52 Ca 0.10 0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.02 1ss1 h LEU 52 Cb 0.66 0.35 -0.10 0.00 0.37 0.00 0.00 40.66 41.94 1ss1 h LEU 52 CO 0.05 -0.42 -0.22 -1.13 -0.34 0.00 0.00 178.44 176.37 1ss1 h ASN 53 N -0.57 -0.77 0.52 1.25 -0.73 -1.26 0.56 115.58 114.58 1ss1 h ASN 53 Ca 0.02 0.17 -0.04 0.00 1.87 0.00 0.00 56.30 58.33 1ss1 h ASN 53 Cb 0.59 0.41 -0.01 0.00 0.27 0.00 0.00 38.32 39.58 1ss1 h ASN 53 CO -0.17 -0.25 -0.19 -2.24 -0.37 0.00 0.00 177.43 174.20 1ss1 h ASP 54 N -0.13 0.00 0.10 1.15 3.04 -1.53 0.27 116.42 119.32 1ss1 h ASP 54 Ca 0.21 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.81 1ss1 h ASP 54 Cb 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.76 1ss1 h ASP 54 CO -0.54 0.19 -0.96 0.00 -2.04 0.00 0.00 179.24 175.90 1ss1 h ALA 55 N 1.81 0.05 -0.02 4.15 0.00 0.13 -3.37 119.26 122.01 1ss1 h ALA 55 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1ss1 h ALA 55 Cb 0.50 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ss1 h ALA 55 CO 0.02 0.51 -0.09 0.00 0.00 0.00 0.00 179.25 179.70 1ss1 n GLN 56 N -4.14 1.95 -0.72 0.00 -0.00 0.17 -4.99 117.38 109.65 1ss1 n GLN 56 Ca -0.19 -1.52 -0.23 0.00 -0.00 0.00 0.00 57.00 55.06 1ss1 n GLN 56 Cb 0.79 -1.47 -0.07 0.00 -0.00 0.00 0.00 30.24 29.49 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 0.80 0.14 -1.79 2.61 0.00 0.94 -4.83 120.51 118.38 1ss1 n ALA 57 Ca 0.14 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 1ss1 n ALA 57 Cb 0.52 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 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 4.13 3.88 0.00 0.00 0.04 -1.26 -5.00 135.00 136.79 1ss1 s PRO 58 Ca 0.66 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1ss1 s PRO 58 Cb -0.66 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1ss1 s PRO 58 CO 0.27 -0.37 0.00 1.63 0.04 0.00 0.00 177.00 178.57 1ss1 n LYS 59 N -0.74 -1.27 -0.60 4.56 5.02 -1.26 -5.03 118.16 118.84 1ss1 n LYS 59 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1ss1 n LYS 59 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1ss1 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88