#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4b n ASP 2 N 0.00 1.56 -4.53 0.00 5.68 -1.26 -4.78 116.55 113.22 1h4b n ASP 2 Ca 0.00 -1.90 -0.43 0.00 -0.50 0.00 0.00 54.79 51.97 1h4b n ASP 2 Cb 0.00 -0.17 -0.07 0.00 -1.14 0.00 0.00 41.12 39.74 1h4b n ASP 2 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1h4b s ASP 3 N -1.18 6.35 0.42 -1.12 2.15 -1.26 -5.02 116.67 117.02 1h4b s ASP 3 Ca 0.24 -0.19 0.04 0.00 0.43 0.00 0.00 52.55 53.07 1h4b s ASP 3 Cb 0.12 -2.32 -0.05 0.00 -0.30 0.00 0.00 42.92 40.38 1h4b s ASP 3 CO 0.17 -0.71 0.04 -1.00 -0.17 0.00 0.00 175.17 173.50 1h4b s HIS 4 N 2.77 2.08 0.24 -5.34 3.76 -1.26 -5.03 115.29 112.51 1h4b s HIS 4 Ca 0.23 -0.92 0.29 0.00 -0.15 0.00 0.00 55.06 54.50 1h4b s HIS 4 Cb -0.14 -1.52 1.27 0.00 1.11 0.00 0.00 32.58 33.30 1h4b s HIS 4 CO 0.18 0.16 1.97 -1.00 -0.85 0.00 0.00 174.74 175.19 1h4b h PRO 5 N 1.72 0.00 -0.61 8.40 0.13 -2.02 -2.87 132.00 136.76 1h4b h PRO 5 Ca -0.42 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1h4b h PRO 5 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1h4b h PRO 5 CO 0.72 0.13 0.19 1.96 -0.23 0.00 0.00 178.00 180.77 1h4b h GLN 6 N 0.00 0.92 -0.79 0.86 4.20 -1.99 -2.38 115.11 115.92 1h4b h GLN 6 Ca -0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1h4b h GLN 6 Cb 0.53 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 1h4b h GLN 6 CO 0.02 0.79 0.51 -0.44 -0.67 0.00 0.00 178.83 179.03 1h4b h ASP 7 N 0.89 0.93 -0.94 1.46 3.32 -1.90 -1.50 116.42 118.67 1h4b h ASP 7 Ca 0.20 -0.04 0.19 0.00 0.02 0.00 0.00 57.03 57.40 1h4b h ASP 7 Cb 0.25 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.49 1h4b h ASP 7 CO -0.01 0.69 0.60 0.11 -1.72 0.00 0.00 179.24 178.92 1h4b h LYS 8 N 1.08 0.55 -0.45 3.56 1.57 -1.53 0.22 116.57 121.57 1h4b h LYS 8 Ca 0.29 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 1h4b h LYS 8 Cb -0.09 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 1h4b h LYS 8 CO -0.06 0.37 0.24 0.00 -0.57 0.00 0.00 179.45 179.42 1h4b h ALA 9 N 1.62 0.57 -0.49 3.86 0.00 -1.24 0.98 119.26 124.54 1h4b h ALA 9 Ca 0.51 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.30 1h4b h ALA 9 Cb 1.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1h4b h ALA 9 CO -0.25 -0.11 -0.18 0.93 0.00 0.00 0.00 179.25 179.65 1h4b h GLU 10 N 0.47 0.98 -0.61 0.00 5.08 -0.67 -1.31 114.58 118.53 1h4b h GLU 10 Ca 0.19 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 1h4b h GLU 10 Cb 0.08 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1h4b h GLU 10 CO -0.12 1.07 0.03 0.00 -1.00 0.00 0.00 179.01 178.98 1h4b h ARG 11 N 0.85 1.05 -0.67 2.33 3.08 0.05 -0.36 114.38 120.72 1h4b h ARG 11 Ca 0.12 -0.32 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 1h4b h ARG 11 Cb 0.74 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1h4b h ARG 11 CO 0.06 1.02 0.14 0.93 -1.07 0.00 0.00 179.97 181.05 1h4b h GLU 12 N 0.95 1.09 -0.51 0.04 5.08 0.12 0.46 114.58 121.82 1h4b h GLU 12 Ca 0.17 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 1h4b h GLU 12 Cb 0.53 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1h4b h GLU 12 CO 0.03 0.99 -0.14 0.00 -1.00 0.00 0.00 179.01 178.89 1h4b h ARG 13 N 1.02 0.99 -0.17 2.33 3.08 -0.96 0.27 114.38 120.94 1h4b h ARG 13 Ca 0.21 -0.38 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1h4b h ARG 13 Cb 0.40 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1h4b h ARG 13 CO 0.01 1.06 -0.21 0.82 -1.07 0.00 0.00 179.97 180.57 1h4b h ILE 14 N 0.85 1.35 -0.44 2.04 2.04 -0.76 -2.06 117.51 120.53 1h4b h ILE 14 Ca 0.13 -1.41 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 1h4b h ILE 14 Cb 0.70 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 1h4b h ILE 14 CO 0.05 0.42 0.02 0.15 0.00 0.00 0.00 178.15 178.80 1h4b h PHE 15 N 0.08 0.73 -0.01 1.37 3.04 0.01 -1.64 116.94 120.52 1h4b h PHE 15 Ca 0.02 -0.09 -0.06 0.00 3.98 0.00 0.00 57.97 61.82 1h4b h PHE 15 Cb 0.77 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 1h4b h PHE 15 CO 0.09 0.68 -0.28 0.87 -2.02 0.00 0.00 178.31 177.64 1h4b h LYS 16 N 0.66 0.02 -0.14 1.11 1.57 -0.33 -1.37 116.57 118.09 1h4b h LYS 16 Ca 0.14 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 1h4b h LYS 16 Cb 0.38 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1h4b h LYS 16 CO 0.01 0.30 -0.56 0.00 -0.57 0.00 0.00 179.45 178.63 1h4b h ARG 17 N 0.02 0.42 -0.04 3.15 3.08 -0.57 -3.22 114.38 117.22 1h4b h ARG 17 Ca 0.00 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 1h4b h ARG 17 Cb 0.51 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1h4b h ARG 17 CO 0.04 0.87 -0.14 0.74 -1.07 0.00 0.00 179.97 180.40 1h4b h PHE 18 N 0.32 0.22 -1.66 3.04 0.04 -0.96 -3.41 116.94 114.53 1h4b h PHE 18 Ca 0.00 -0.09 -0.51 0.00 2.80 0.00 0.00 57.97 60.17 1h4b h PHE 18 Cb 1.08 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.20 1h4b h PHE 18 CO 0.04 0.77 1.59 -3.47 -0.60 0.00 0.00 178.31 176.64 1h4b n ASP 19 N -4.62 2.54 0.06 2.17 -0.08 -0.57 -4.43 116.55 111.62 1h4b n ASP 19 Ca -0.08 -0.26 -0.13 0.00 -1.51 0.00 0.00 54.79 52.80 1h4b n ASP 19 Cb 0.40 -1.55 -0.09 0.00 2.34 0.00 0.00 41.12 42.22 1h4b n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1h4b h ALA 20 N 17.94 -0.15 0.00 -1.67 0.00 -1.83 -3.29 119.26 130.26 1h4b h ALA 20 Ca -0.29 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 1h4b h ALA 20 Cb 1.26 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1h4b h ALA 20 CO 1.10 -0.41 -1.24 -2.95 0.00 0.00 0.00 179.25 175.75 1h4b h ASN 21 N -0.50 0.00 -0.51 0.00 -1.07 -1.91 -3.48 115.58 108.10 1h4b h ASN 21 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.35 1h4b h ASN 21 Cb 0.41 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.66 1h4b h ASN 21 CO 0.03 0.61 0.00 0.61 0.07 0.00 0.00 177.43 178.75 1h4b n GLY 22 N 1.37 0.98 0.76 9.14 0.00 -1.24 -4.96 105.19 111.25 1h4b n GLY 22 Ca -0.07 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.62 1h4b n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h4b n ASP 23 N 0.94 2.27 0.00 1.61 5.75 -1.26 -4.89 116.55 120.98 1h4b n ASP 23 Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1h4b n ASP 23 Cb 0.30 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1h4b n ASP 23 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h4b n GLY 24 N 1.25 0.83 3.10 6.12 0.00 -1.26 -5.04 105.19 110.19 1h4b n GLY 24 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1h4b n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h4b s LYS 25 N -0.70 0.98 -0.10 1.61 -2.85 -1.26 -3.87 119.74 113.54 1h4b s LYS 25 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.41 1h4b s LYS 25 Cb 0.00 -0.95 -0.02 0.00 -2.06 0.00 0.00 37.83 34.79 1h4b s LYS 25 CO 0.00 0.25 -0.10 0.42 0.10 0.00 0.00 175.35 176.02 1h4b s ILE 26 N -0.51 3.36 0.38 3.79 1.01 -0.60 -4.80 121.20 123.83 1h4b s ILE 26 Ca 0.03 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.18 1h4b s ILE 26 Cb -0.06 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 1h4b s ILE 26 CO 0.00 0.55 0.32 -0.94 0.00 0.00 0.00 174.94 174.87 1h4b s SER 27 N -0.12 5.09 0.23 3.58 1.04 -1.26 -1.56 113.70 120.70 1h4b s SER 27 Ca 0.00 -0.66 -0.07 0.00 0.48 0.00 0.00 55.95 55.71 1h4b s SER 27 Cb -0.13 -0.74 0.40 0.00 0.10 0.00 0.00 66.02 65.65 1h4b s SER 27 CO 0.03 -0.50 1.70 0.00 0.98 0.00 0.00 173.24 175.44 1h4b h ALA 28 N 1.17 0.88 -0.87 5.32 0.00 -1.93 0.68 119.26 124.52 1h4b h ALA 28 Ca -0.43 0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1h4b h ALA 28 Cb 1.26 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 1h4b h ALA 28 CO 0.59 -0.31 0.57 0.00 0.00 0.00 0.00 179.25 180.09 1h4b h ALA 29 N 1.56 1.54 0.06 0.00 0.00 -1.96 2.13 119.26 122.60 1h4b h ALA 29 Ca 0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1h4b h ALA 29 Cb 0.62 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1h4b h ALA 29 CO -0.47 0.33 -0.03 0.93 0.00 0.00 0.00 179.25 180.01 1h4b h GLU 30 N 0.98 -0.08 -0.67 0.00 5.08 -0.64 -0.32 114.58 118.94 1h4b h GLU 30 Ca 0.37 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.70 1h4b h GLU 30 Cb 0.20 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 1h4b h GLU 30 CO -0.13 0.45 0.27 1.25 -1.00 0.00 0.00 179.01 179.85 1h4b h LEU 31 N -0.94 0.92 -0.37 1.33 5.85 0.32 -1.09 115.31 121.34 1h4b h LEU 31 Ca -0.01 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1h4b h LEU 31 Cb 0.56 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1h4b h LEU 31 CO 0.01 0.83 0.09 1.23 -0.34 0.00 0.00 178.44 180.26 1h4b h GLY 32 N 0.94 0.63 0.91 3.75 0.00 0.34 0.38 103.07 110.03 1h4b h GLY 32 Ca 0.22 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 47.18 1h4b h GLY 32 CO -0.02 0.37 0.54 0.83 0.00 0.00 0.00 176.54 178.26 1h4b h GLU 33 N 0.44 1.03 -0.18 4.80 4.39 -0.70 0.11 114.58 124.48 1h4b h GLU 33 Ca 0.11 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.54 1h4b h GLU 33 Cb 0.31 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1h4b h GLU 33 CO 0.00 0.68 -0.72 0.00 -1.16 0.00 0.00 179.01 177.82 1h4b h ALA 34 N 1.33 0.33 -0.12 3.43 0.00 -0.94 -3.00 119.26 120.30 1h4b h ALA 34 Ca 0.32 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1h4b h ALA 34 Cb -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1h4b h ALA 34 CO -0.10 0.67 0.04 -0.07 0.00 0.00 0.00 179.25 179.79 1h4b h LEU 35 N 0.56 0.14 -1.48 0.00 3.38 0.43 -1.81 115.31 116.53 1h4b h LEU 35 Ca -0.04 -0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.16 1h4b h LEU 35 Cb 1.34 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 1h4b h LEU 35 CO 0.15 0.14 0.90 0.11 0.09 0.00 0.00 178.44 179.83 1h4b h LYS 36 N 0.16 0.00 -0.30 1.13 1.57 -0.65 0.72 116.57 119.19 1h4b h LYS 36 Ca 0.04 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1h4b h LYS 36 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1h4b h LYS 36 CO -0.00 0.00 0.46 0.00 -0.57 0.00 0.00 179.45 179.34 1h4b h THR 37 N 0.00 0.23 -0.37 -0.16 1.03 -1.51 0.38 112.91 112.51 1h4b h THR 37 Ca 0.38 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.80 1h4b h THR 37 Cb 2.18 0.60 -0.02 0.00 -1.07 0.00 0.00 68.15 69.84 1h4b h THR 37 CO -0.00 0.00 0.24 -0.07 -0.01 0.00 0.00 175.52 175.68 1h4b h LEU 38 N 0.00 0.37 0.00 0.00 3.38 0.21 -3.45 115.31 115.83 1h4b h LEU 38 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1h4b h LEU 38 Cb 1.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1h4b h LEU 38 CO -0.00 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1h4b n GLY 39 N -1.49 0.68 2.59 0.83 0.00 0.13 -4.82 105.19 103.12 1h4b n GLY 39 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1h4b n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1h4b n SER 40 N -0.02 -1.78 -3.54 1.61 2.88 -1.26 -5.13 113.62 106.37 1h4b n SER 40 Ca 0.00 -3.35 -0.14 0.00 -1.33 0.00 0.00 58.87 54.06 1h4b n SER 40 Cb 0.01 1.23 -0.05 0.00 -0.75 0.00 0.00 64.21 64.64 1h4b n SER 40 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1h4b s ILE 41 N -0.14 0.00 0.26 2.46 2.07 -1.26 -5.17 121.20 119.41 1h4b s ILE 41 Ca 0.30 -1.65 0.06 0.00 -1.41 0.00 0.00 60.65 57.95 1h4b s ILE 41 Cb 0.26 -2.52 -0.06 0.00 0.13 0.00 0.00 42.46 40.28 1h4b s ILE 41 CO -0.13 0.00 -0.05 0.42 -1.91 0.00 0.00 174.94 173.27 1h4b s THR 42 N -3.43 1.52 0.27 4.00 -4.23 -1.26 -5.03 115.64 107.48 1h4b s THR 42 Ca 0.31 -2.11 0.05 0.00 -1.18 0.00 0.00 61.69 58.75 1h4b s THR 42 Cb 0.01 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.48 1h4b s THR 42 CO 0.17 -0.33 1.67 1.55 -0.54 0.00 0.00 174.62 177.14 1h4b h PRO 43 N 2.34 0.32 0.00 3.99 0.13 -2.00 -2.66 132.00 134.12 1h4b h PRO 43 Ca -0.39 -0.16 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 1h4b h PRO 43 Cb 1.23 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1h4b h PRO 43 CO 0.66 0.68 -0.10 -0.44 -0.23 0.00 0.00 178.00 178.58 1h4b h ASP 44 N 0.26 0.00 0.25 1.44 3.32 -1.99 -1.20 116.42 118.50 1h4b h ASP 44 Ca 0.02 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.73 1h4b h ASP 44 Cb 0.85 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.42 1h4b h ASP 44 CO 0.07 0.10 -1.59 -0.33 -1.72 0.00 0.00 179.24 175.76 1h4b h GLU 45 N 0.00 0.47 -0.38 3.56 5.08 -1.89 -2.76 114.58 118.66 1h4b h GLU 45 Ca -0.00 -0.80 -0.08 0.00 -1.00 0.00 0.00 59.36 57.48 1h4b h GLU 45 Cb 0.41 0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1h4b h GLU 45 CO 0.01 1.38 -0.08 0.28 -1.00 0.00 0.00 179.01 179.60 1h4b h VAL 46 N 0.13 1.24 -0.54 3.13 2.07 -1.32 -0.91 116.25 120.05 1h4b h VAL 46 Ca -0.29 -1.05 -0.11 0.00 0.82 0.00 0.00 66.70 66.07 1h4b h VAL 46 Cb 2.14 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 1h4b h VAL 46 CO 0.23 0.35 -0.11 0.11 0.02 0.00 0.00 177.57 178.18 1h4b h LYS 47 N 0.61 1.02 -0.56 1.57 1.57 -1.29 -2.08 116.57 117.41 1h4b h LYS 47 Ca 0.11 -0.38 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 1h4b h LYS 47 Cb 0.50 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1h4b h LYS 47 CO 0.03 1.06 0.01 1.25 -0.57 0.00 0.00 179.45 181.23 1h4b h HIS 48 N 0.91 1.08 -0.58 -1.35 2.76 -1.13 -1.49 115.15 115.34 1h4b h HIS 48 Ca 0.14 -0.18 0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1h4b h HIS 48 Cb 0.68 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 1h4b h HIS 48 CO 0.05 0.97 0.38 0.52 -1.30 0.00 0.00 177.93 178.54 1h4b h MET 49 N 0.88 0.75 -0.26 5.26 2.86 -0.95 -1.53 114.93 121.94 1h4b h MET 49 Ca 0.16 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1h4b h MET 49 Cb 0.53 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1h4b h MET 49 CO 0.03 0.49 0.14 0.52 1.06 0.00 0.00 176.91 179.15 1h4b h MET 50 N 0.77 0.36 -0.05 1.72 2.07 -1.11 0.74 114.93 119.43 1h4b h MET 50 Ca 0.22 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.82 1h4b h MET 50 Cb -0.06 -0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 29.60 1h4b h MET 50 CO -0.06 0.32 0.12 0.00 1.07 0.00 0.00 176.91 178.37 1h4b h ALA 51 N 1.02 1.34 0.04 6.32 0.00 -0.74 1.89 119.26 129.13 1h4b h ALA 51 Ca 0.09 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.64 1h4b h ALA 51 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1h4b h ALA 51 CO -0.01 -0.15 -2.11 0.39 0.00 0.00 0.00 179.25 177.37 1h4b n GLU 52 N -3.32 0.69 0.06 0.00 1.02 -0.26 -4.24 120.64 114.60 1h4b n GLU 52 Ca -0.02 0.20 -0.09 0.00 -0.02 0.00 0.00 57.16 57.24 1h4b n GLU 52 Cb 0.20 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 29.84 1h4b n GLU 52 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1h4b h ILE 53 N 0.03 1.61 -1.68 -3.67 2.04 0.17 -3.42 117.51 112.59 1h4b h ILE 53 Ca -0.45 -3.31 -0.47 0.00 1.00 0.00 0.00 64.86 61.63 1h4b h ILE 53 Cb 2.03 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 40.95 1h4b h ILE 53 CO 0.03 0.93 1.60 -0.62 0.00 0.00 0.00 178.15 180.09 1h4b s ASP 54 N -6.75 4.58 0.02 1.72 2.15 0.63 -4.81 116.67 114.21 1h4b s ASP 54 Ca -0.00 1.07 -0.21 0.00 0.43 0.00 0.00 52.55 53.84 1h4b s ASP 54 Cb 0.09 -2.50 -0.17 0.00 -0.30 0.00 0.00 42.92 40.04 1h4b s ASP 54 CO 0.83 -2.77 1.26 0.71 -0.17 0.00 0.00 175.17 175.03 1h4b h THR 55 N 7.58 1.39 0.02 1.71 1.35 -1.86 -3.30 112.91 119.80 1h4b h THR 55 Ca -0.25 -1.48 -0.27 0.00 -0.55 0.00 0.00 66.41 63.86 1h4b h THR 55 Cb 1.26 2.11 -0.04 0.00 -1.73 0.00 0.00 68.15 69.75 1h4b h THR 55 CO 1.15 0.43 -1.46 -2.24 -0.25 0.00 0.00 175.52 173.15 1h4b h ASP 56 N -0.13 0.06 0.00 5.36 3.04 -1.92 -3.48 116.42 119.35 1h4b h ASP 56 Ca 0.00 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 1h4b h ASP 56 Cb 0.78 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.05 1h4b h ASP 56 CO 0.04 1.08 0.00 0.61 -2.04 0.00 0.00 179.24 178.94 1h4b n GLY 57 N 1.51 1.33 0.09 7.15 0.00 -1.24 -4.96 105.19 109.07 1h4b n GLY 57 Ca -0.12 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 45.73 1h4b n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h4b n ASP 58 N 0.69 0.34 0.00 1.61 5.75 -1.26 -4.87 116.55 118.81 1h4b n ASP 58 Ca 0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1h4b n ASP 58 Cb 0.14 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1h4b n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h4b n GLY 59 N 1.18 0.20 3.17 6.12 0.00 -1.26 -5.06 105.19 109.54 1h4b n GLY 59 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1h4b n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h4b s PHE 60 N -2.03 1.00 -0.18 1.61 0.08 -1.26 -4.46 117.98 112.73 1h4b s PHE 60 Ca 0.00 -0.69 -0.06 0.00 0.12 0.00 0.00 56.93 56.30 1h4b s PHE 60 Cb 0.00 -0.55 -0.03 0.00 -0.57 0.00 0.00 43.02 41.86 1h4b s PHE 60 CO 0.00 -0.03 0.02 0.42 -0.10 0.00 0.00 175.22 175.53 1h4b s ILE 61 N -2.59 4.28 0.48 0.64 -1.09 -0.60 -4.78 121.20 117.54 1h4b s ILE 61 Ca 0.06 -0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.27 1h4b s ILE 61 Cb -0.02 -2.92 0.01 0.00 -1.58 0.00 0.00 42.46 37.95 1h4b s ILE 61 CO -0.01 0.45 0.70 -0.94 -1.23 0.00 0.00 174.94 173.91 1h4b s SER 62 N 0.63 5.66 0.26 3.58 1.04 -1.26 -1.55 113.70 122.05 1h4b s SER 62 Ca 0.01 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.58 1h4b s SER 62 Cb -0.14 -1.30 0.46 0.00 0.10 0.00 0.00 66.02 65.14 1h4b s SER 62 CO 0.02 -0.83 1.80 0.15 0.98 0.00 0.00 173.24 175.36 1h4b h PHE 63 N 0.31 0.89 -0.03 5.02 3.57 -1.97 0.28 116.94 125.01 1h4b h PHE 63 Ca -0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1h4b h PHE 63 Cb 1.27 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1h4b h PHE 63 CO 0.43 0.33 0.02 0.37 -2.23 0.00 0.00 178.31 177.22 1h4b h GLN 64 N 0.79 0.04 -0.34 1.11 5.75 -1.93 0.32 115.11 120.85 1h4b h GLN 64 Ca 0.43 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.95 1h4b h GLN 64 Cb 0.46 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 1h4b h GLN 64 CO -0.28 0.10 0.17 0.93 -2.65 0.00 0.00 178.83 177.10 1h4b h GLU 65 N -0.03 0.34 -0.87 1.69 5.08 -1.55 0.23 114.58 119.47 1h4b h GLU 65 Ca 0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1h4b h GLU 65 Cb 0.07 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1h4b h GLU 65 CO -0.00 0.22 0.49 0.35 -1.00 0.00 0.00 179.01 179.07 1h4b h PHE 66 N 0.35 1.19 -0.20 4.33 3.57 -0.20 -0.46 116.94 125.52 1h4b h PHE 66 Ca 0.14 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1h4b h PHE 66 Cb 0.06 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1h4b h PHE 66 CO -0.10 0.82 0.03 1.15 -2.23 0.00 0.00 178.31 177.98 1h4b h THR 67 N 1.21 1.22 -0.79 4.41 2.02 0.47 1.01 112.91 122.47 1h4b h THR 67 Ca 0.31 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.77 1h4b h THR 67 Cb 0.02 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1h4b h THR 67 CO -0.05 0.23 0.53 0.44 0.37 0.00 0.00 175.52 177.03 1h4b h ASP 68 N 0.13 0.89 0.37 4.18 3.32 -0.20 -0.82 116.42 124.30 1h4b h ASP 68 Ca 0.06 -0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.80 1h4b h ASP 68 Cb 0.31 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 39.66 1h4b h ASP 68 CO 0.00 0.64 -1.24 0.15 -1.72 0.00 0.00 179.24 177.07 1h4b h PHE 69 N 1.05 0.76 0.00 4.55 3.04 -0.78 -3.16 116.94 122.40 1h4b h PHE 69 Ca 0.30 -0.51 -0.01 0.00 3.98 0.00 0.00 57.97 61.73 1h4b h PHE 69 Cb -0.09 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.37 1h4b h PHE 69 CO -0.00 1.37 -0.03 0.78 -2.02 0.00 0.00 178.31 178.41 1h4b h GLY 70 N 0.89 0.00 1.63 2.40 0.00 0.18 -1.11 103.07 107.05 1h4b h GLY 70 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 1h4b h GLY 70 CO 0.22 0.00 -0.71 3.21 0.00 0.00 0.00 176.54 179.26 1h4b h ARG 71 N 0.00 0.37 0.00 4.80 3.08 -1.14 0.14 114.38 121.62 1h4b h ARG 71 Ca -0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1h4b h ARG 71 Cb 0.05 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1h4b h ARG 71 CO 0.00 0.93 0.00 0.00 -1.07 0.00 0.00 179.97 179.84 1h4b h ALA 72 N 0.98 1.00 -0.89 0.04 0.00 -1.19 -3.25 119.26 115.95 1h4b h ALA 72 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1h4b h ALA 72 Cb 1.28 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.77 1h4b h ALA 72 CO 0.12 0.00 -0.87 0.09 0.00 0.00 0.00 179.25 178.59 1h4b n ASN 73 N -2.72 -0.24 -0.32 0.00 3.02 -1.03 -4.95 115.26 109.01 1h4b n ASN 73 Ca 0.00 -2.97 0.12 0.00 -0.03 0.00 0.00 54.58 51.69 1h4b n ASN 73 Cb 0.20 0.29 0.29 0.00 -0.61 0.00 0.00 39.78 39.95 1h4b n ASN 73 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1h4b h ARG 74 N 2.80 0.60 -0.01 3.52 0.11 -0.78 1.16 114.38 121.79 1h4b h ARG 74 Ca -0.07 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.97 1h4b h ARG 74 Cb 1.12 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 32.06 1h4b h ARG 74 CO 0.31 0.40 0.28 0.78 0.10 0.00 0.00 179.97 181.84 1h4b h GLY 75 N 0.62 0.00 0.88 0.08 0.00 -1.92 0.58 103.07 103.31 1h4b h GLY 75 Ca 0.54 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.64 1h4b h GLY 75 CO -0.42 0.00 -1.04 1.41 0.00 0.00 0.00 176.54 176.49 1h4b h LEU 76 N 0.00 0.60 -0.82 3.11 3.38 0.11 -3.10 115.31 118.58 1h4b h LEU 76 Ca 0.01 -0.94 -0.01 0.00 0.09 0.00 0.00 57.88 57.02 1h4b h LEU 76 Cb 0.57 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1h4b h LEU 76 CO -0.00 1.50 0.47 -0.07 0.09 0.00 0.00 178.44 180.44 1h4b h LEU 77 N -0.20 1.01 -0.96 1.67 -0.00 -0.80 0.17 115.31 116.21 1h4b h LEU 77 Ca -0.18 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 57.57 1h4b h LEU 77 Cb 1.83 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 42.20 1h4b h LEU 77 CO 0.20 0.80 0.26 0.11 -0.00 0.00 0.00 178.44 179.81 1h4b h LYS 78 N 1.14 1.02 -0.01 1.13 1.57 -1.54 0.83 116.57 120.71 1h4b h LYS 78 Ca 0.29 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1h4b h LYS 78 Cb -0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1h4b h LYS 78 CO -0.05 0.84 -0.04 -0.44 -0.57 0.00 0.00 179.45 179.18 1h4b h ASP 79 N 1.00 0.05 -0.43 0.86 3.32 -1.32 -3.07 116.42 116.83 1h4b h ASP 79 Ca 0.23 -0.67 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 1h4b h ASP 79 Cb 0.21 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1h4b h ASP 79 CO -0.02 0.72 0.01 1.62 -1.72 0.00 0.00 179.24 179.85 1h4b h VAL 80 N -0.61 1.26 -1.00 -1.35 3.04 -0.56 -2.81 116.25 114.22 1h4b h VAL 80 Ca -0.00 -1.01 0.21 0.00 -1.01 0.00 0.00 66.70 64.89 1h4b h VAL 80 Cb 0.72 1.07 -0.11 0.00 -2.01 0.00 0.00 31.29 30.95 1h4b h VAL 80 CO 0.01 0.34 0.61 0.00 -1.01 0.00 0.00 177.57 177.52 1h4b h ALA 81 N 0.90 1.75 0.00 3.17 0.00 0.63 0.61 119.26 126.32 1h4b h ALA 81 Ca 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1h4b h ALA 81 Cb 0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1h4b h ALA 81 CO 0.02 -0.15 -0.21 0.87 0.00 0.00 0.00 179.25 179.78 1h4b h LYS 82 N 0.68 0.00 -0.39 0.00 1.57 -1.39 -2.82 116.57 114.23 1h4b h LYS 82 Ca 0.60 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.36 1h4b h LYS 82 Cb 1.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1h4b h LYS 82 CO -0.41 0.21 0.16 0.82 -0.57 0.00 0.00 179.45 179.66 1h4b h ILE 83 N 0.00 1.19 -0.01 1.86 2.04 0.26 -3.52 117.51 119.33 1h4b h ILE 83 Ca -0.00 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1h4b h ILE 83 Cb 0.50 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1h4b h ILE 83 CO 0.03 0.21 0.00 0.49 0.00 0.00 0.00 178.15 178.88