#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4b h ASP 2 N 0.00 0.00 -2.08 0.00 3.32 -2.11 -3.46 116.42 112.09 1h4b h ASP 2 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1h4b h ASP 2 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 1h4b h ASP 2 CO 0.00 0.14 -0.15 -0.90 -1.72 0.00 0.00 179.24 176.61 1h4b n ASP 3 N -3.14 -3.21 -4.25 6.45 5.68 -1.26 -5.03 116.55 111.79 1h4b n ASP 3 Ca 0.03 -0.48 -0.14 0.00 -0.50 0.00 0.00 54.79 53.71 1h4b n ASP 3 Cb 0.57 -0.79 -0.10 0.00 -1.14 0.00 0.00 41.12 39.66 1h4b n ASP 3 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1h4b s HIS 4 N -2.07 1.24 0.30 2.11 -3.43 -1.26 -5.02 115.29 107.16 1h4b s HIS 4 Ca 0.38 -1.09 0.34 0.00 -0.80 0.00 0.00 55.06 53.89 1h4b s HIS 4 Cb -0.07 -0.71 1.57 0.00 -1.43 0.00 0.00 32.58 31.94 1h4b s HIS 4 CO 0.33 -0.29 2.07 -1.00 -2.00 0.00 0.00 174.74 173.85 1h4b h PRO 5 N 2.64 0.00 -0.37 -0.38 0.13 -2.00 -2.92 132.00 129.10 1h4b h PRO 5 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1h4b h PRO 5 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1h4b h PRO 5 CO 0.61 0.05 0.24 1.96 -0.23 0.00 0.00 178.00 180.64 1h4b h GLN 6 N 0.00 0.48 0.18 0.86 4.20 -2.01 -2.84 115.11 115.98 1h4b h GLN 6 Ca -0.00 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.69 1h4b h GLN 6 Cb 0.39 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1h4b h GLN 6 CO 0.01 0.33 -0.23 -0.44 -0.67 0.00 0.00 178.83 177.82 1h4b h ASP 7 N 0.49 -0.64 -1.22 1.46 3.32 -1.94 -1.29 116.42 116.61 1h4b h ASP 7 Ca 0.13 0.07 0.40 0.00 0.02 0.00 0.00 57.03 57.65 1h4b h ASP 7 Cb -0.05 0.23 -0.13 0.00 0.22 0.00 0.00 39.33 39.60 1h4b h ASP 7 CO -0.03 -0.33 0.77 0.11 -1.72 0.00 0.00 179.24 178.04 1h4b h LYS 8 N -0.47 0.15 -0.33 3.56 1.57 -1.60 0.90 116.57 120.34 1h4b h LYS 8 Ca 0.01 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1h4b h LYS 8 Cb 0.46 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1h4b h LYS 8 CO -0.09 0.10 0.20 0.00 -0.57 0.00 0.00 179.45 179.08 1h4b h ALA 9 N 1.66 0.42 -0.42 3.86 0.00 -1.07 1.19 119.26 124.91 1h4b h ALA 9 Ca 0.78 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.56 1h4b h ALA 9 Cb 2.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 1h4b h ALA 9 CO -0.45 -0.16 -0.25 0.93 0.00 0.00 0.00 179.25 179.32 1h4b h GLU 10 N 0.40 0.86 -0.47 0.00 5.08 0.77 -0.66 114.58 120.55 1h4b h GLU 10 Ca 0.13 -0.37 -0.14 0.00 -1.00 0.00 0.00 59.36 57.99 1h4b h GLU 10 Cb -0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1h4b h GLU 10 CO -0.06 1.01 -0.24 0.00 -1.00 0.00 0.00 179.01 178.72 1h4b h ARG 11 N 0.74 0.99 -0.45 2.33 3.08 -0.29 -0.77 114.38 120.02 1h4b h ARG 11 Ca 0.09 -0.44 -0.10 0.00 0.07 0.00 0.00 59.98 59.61 1h4b h ARG 11 Cb 0.79 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1h4b h ARG 11 CO 0.07 1.11 -0.11 0.93 -1.07 0.00 0.00 179.97 180.90 1h4b h GLU 12 N 0.85 0.86 -0.53 0.04 5.08 0.16 0.29 114.58 121.33 1h4b h GLU 12 Ca 0.11 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1h4b h GLU 12 Cb 0.82 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1h4b h GLU 12 CO 0.07 0.96 0.00 0.00 -1.00 0.00 0.00 179.01 179.05 1h4b h ARG 13 N 0.69 0.93 -0.17 2.33 3.08 -1.01 0.27 114.38 120.51 1h4b h ARG 13 Ca 0.11 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1h4b h ARG 13 Cb 0.65 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1h4b h ARG 13 CO 0.04 0.95 -0.18 0.82 -1.07 0.00 0.00 179.97 180.53 1h4b h ILE 14 N 0.80 1.34 -0.52 2.04 2.04 -0.99 -2.05 117.51 120.17 1h4b h ILE 14 Ca 0.15 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 1h4b h ILE 14 Cb 0.52 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1h4b h ILE 14 CO 0.03 0.40 0.15 0.15 0.00 0.00 0.00 178.15 178.87 1h4b h PHE 15 N 0.08 0.79 -0.05 1.37 3.57 -0.31 -1.22 116.94 121.16 1h4b h PHE 15 Ca 0.03 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1h4b h PHE 15 Cb 0.72 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1h4b h PHE 15 CO 0.08 0.65 -0.21 0.87 -2.23 0.00 0.00 178.31 177.47 1h4b h LYS 16 N 0.75 0.09 -0.34 1.11 1.57 -0.30 -1.97 116.57 117.48 1h4b h LYS 16 Ca 0.17 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 1h4b h LYS 16 Cb 0.25 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1h4b h LYS 16 CO -0.01 0.30 -0.29 0.00 -0.57 0.00 0.00 179.45 178.89 1h4b h ARG 17 N 0.08 0.71 0.06 3.15 3.08 -0.49 -3.18 114.38 117.79 1h4b h ARG 17 Ca 0.01 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 1h4b h ARG 17 Cb 0.43 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1h4b h ARG 17 CO 0.03 0.92 -0.03 0.74 -1.07 0.00 0.00 179.97 180.56 1h4b h PHE 18 N 0.61 -0.07 -1.37 3.04 0.04 -1.00 -3.40 116.94 114.78 1h4b h PHE 18 Ca 0.07 -0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.31 1h4b h PHE 18 Cb 0.80 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1h4b h PHE 18 CO 0.04 0.35 1.59 -3.47 -0.60 0.00 0.00 178.31 176.22 1h4b n ASP 19 N -4.92 2.19 0.00 2.17 2.03 -0.81 -4.59 116.55 112.62 1h4b n ASP 19 Ca -0.08 -0.13 -0.13 0.00 0.52 0.00 0.00 54.79 54.97 1h4b n ASP 19 Cb 0.23 -1.44 -0.10 0.00 -0.72 0.00 0.00 41.12 39.10 1h4b n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h4b h ALA 20 N 16.52 -0.04 0.02 -1.67 0.00 -1.84 -3.32 119.26 128.93 1h4b h ALA 20 Ca -0.25 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.15 1h4b h ALA 20 Cb 1.28 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1h4b h ALA 20 CO 1.13 -0.28 -1.52 -2.95 0.00 0.00 0.00 179.25 175.63 1h4b h ASN 21 N -0.52 0.05 -0.17 0.00 -1.07 -1.92 -3.48 115.58 108.48 1h4b h ASN 21 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 56.30 56.27 1h4b h ASN 21 Cb 0.48 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.72 1h4b h ASN 21 CO 0.01 1.08 0.00 0.61 0.07 0.00 0.00 177.43 179.20 1h4b n GLY 22 N 1.53 1.22 0.60 9.14 0.00 -1.25 -4.97 105.19 111.46 1h4b n GLY 22 Ca -0.13 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 0.52 1.82 0.00 1.61 5.75 -1.26 -4.88 116.55 120.10 1h4b n ASP 23 Ca 0.00 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1h4b n ASP 23 Cb 0.15 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 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 1.17 0.81 3.08 6.12 0.00 -1.26 -5.04 105.19 110.07 1h4b n GLY 24 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.69 0.81 -0.12 1.61 -2.85 -1.26 -3.94 119.74 113.29 1h4b s LYS 25 Ca 0.00 -0.55 -0.01 0.00 -1.00 0.00 0.00 55.97 54.41 1h4b s LYS 25 Cb 0.00 -0.77 -0.03 0.00 -2.06 0.00 0.00 37.83 34.97 1h4b s LYS 25 CO 0.00 0.20 -0.07 0.42 0.10 0.00 0.00 175.35 176.00 1h4b s ILE 26 N -0.60 3.61 0.36 3.79 1.01 -0.50 -4.81 121.20 124.06 1h4b s ILE 26 Ca 0.01 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.26 1h4b s ILE 26 Cb -0.06 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 1h4b s ILE 26 CO 0.00 0.54 0.33 -0.94 0.00 0.00 0.00 174.94 174.88 1h4b s SER 27 N -0.04 5.27 0.24 3.58 1.04 -1.26 -1.69 113.70 120.84 1h4b s SER 27 Ca -0.00 -0.54 -0.06 0.00 0.48 0.00 0.00 55.95 55.83 1h4b s SER 27 Cb -0.13 -0.87 0.44 0.00 0.10 0.00 0.00 66.02 65.56 1h4b s SER 27 CO 0.03 -0.45 1.69 0.00 0.98 0.00 0.00 173.24 175.49 1h4b h ALA 28 N 1.15 0.93 -0.92 5.32 0.00 -1.93 0.79 119.26 124.60 1h4b h ALA 28 Ca -0.44 0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1h4b h ALA 28 Cb 1.26 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 1h4b h ALA 28 CO 0.57 -0.32 0.57 0.00 0.00 0.00 0.00 179.25 180.07 1h4b h ALA 29 N 1.59 1.28 0.14 0.00 0.00 -1.96 2.04 119.26 122.35 1h4b h ALA 29 Ca 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1h4b h ALA 29 Cb 0.67 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1h4b h ALA 29 CO -0.49 0.31 -0.07 0.93 0.00 0.00 0.00 179.25 179.94 1h4b h GLU 30 N 1.02 -0.18 -0.42 0.00 5.08 -0.64 0.11 114.58 119.55 1h4b h GLU 30 Ca 0.41 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1h4b h GLU 30 Cb 0.22 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1h4b h GLU 30 CO -0.19 0.26 0.27 1.25 -1.00 0.00 0.00 179.01 179.60 1h4b h LEU 31 N -0.91 0.50 -0.44 1.33 6.46 0.57 -0.28 115.31 122.55 1h4b h LEU 31 Ca -0.02 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1h4b h LEU 31 Cb 0.51 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1h4b h LEU 31 CO 0.03 0.39 0.19 1.23 -0.62 0.00 0.00 178.44 179.66 1h4b h GLY 32 N 0.57 0.69 0.77 3.75 0.00 0.32 0.42 103.07 109.59 1h4b h GLY 32 Ca 0.15 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.17 1h4b h GLY 32 CO -0.03 0.34 0.51 0.83 0.00 0.00 0.00 176.54 178.19 1h4b h GLU 33 N 0.56 0.92 -0.19 4.80 5.08 -0.27 0.89 114.58 126.37 1h4b h GLU 33 Ca 0.15 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.24 1h4b h GLU 33 Cb 0.16 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1h4b h GLU 33 CO -0.01 0.61 -0.72 0.00 -1.00 0.00 0.00 179.01 177.88 1h4b h ALA 34 N 1.37 0.35 -0.44 3.43 0.00 -0.65 -2.99 119.26 120.34 1h4b h ALA 34 Ca 0.35 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1h4b h ALA 34 Cb 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1h4b h ALA 34 CO -0.15 0.68 0.29 -0.07 0.00 0.00 0.00 179.25 180.00 1h4b h LEU 35 N 0.58 0.35 -1.71 0.00 3.38 0.76 -1.36 115.31 117.31 1h4b h LEU 35 Ca -0.04 -0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.29 1h4b h LEU 35 Cb 1.35 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 1h4b h LEU 35 CO 0.15 0.24 1.05 0.50 0.09 0.00 0.00 178.44 180.47 1h4b h LYS 36 N 0.41 0.00 -0.53 1.13 3.64 -0.70 0.75 116.57 121.27 1h4b h LYS 36 Ca 0.19 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.72 1h4b h LYS 36 Cb 0.22 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1h4b h LYS 36 CO -0.04 0.00 0.61 0.00 -2.27 0.00 0.00 179.45 177.74 1h4b h THR 37 N 0.00 0.27 -0.27 1.00 1.03 -1.43 0.70 112.91 114.22 1h4b h THR 37 Ca 0.58 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.95 1h4b h THR 37 Cb 2.67 0.51 -0.01 0.00 -1.07 0.00 0.00 68.15 70.24 1h4b h THR 37 CO -0.01 0.00 0.03 -0.07 -0.01 0.00 0.00 175.52 175.47 1h4b h LEU 38 N 0.00 0.36 0.00 0.00 3.38 0.29 -3.45 115.31 115.89 1h4b h LEU 38 Ca 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1h4b h LEU 38 Cb 1.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1h4b h LEU 38 CO -0.00 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1h4b n GLY 39 N -1.10 0.32 2.68 0.83 0.00 0.24 -4.76 105.19 103.39 1h4b n GLY 39 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1h4b n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h4b n SER 40 N -0.34 -1.26 -4.19 1.61 7.64 -1.26 -5.13 113.62 110.68 1h4b n SER 40 Ca 0.00 -2.70 -0.15 0.00 1.01 0.00 0.00 58.87 57.03 1h4b n SER 40 Cb 0.17 0.81 -0.10 0.00 -1.01 0.00 0.00 64.21 64.08 1h4b n SER 40 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1h4b s ILE 41 N -0.49 0.28 0.32 0.44 2.07 -1.26 -5.17 121.20 117.38 1h4b s ILE 41 Ca 0.24 -2.00 0.06 0.00 -1.41 0.00 0.00 60.65 57.54 1h4b s ILE 41 Cb 0.39 -2.56 -0.06 0.00 0.13 0.00 0.00 42.46 40.36 1h4b s ILE 41 CO -0.06 0.00 -0.02 0.42 -1.91 0.00 0.00 174.94 173.37 1h4b s THR 42 N -3.89 1.62 0.26 4.00 -4.23 -1.26 -5.03 115.64 107.11 1h4b s THR 42 Ca 0.38 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1h4b s THR 42 Cb 0.07 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.27 1h4b s THR 42 CO 0.14 -0.15 1.65 1.55 -0.54 0.00 0.00 174.62 177.27 1h4b h PRO 43 N 2.12 0.36 0.00 3.99 0.13 -1.99 -2.78 132.00 133.83 1h4b h PRO 43 Ca -0.41 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 64.52 1h4b h PRO 43 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h4b h PRO 43 CO 0.71 0.72 -0.08 -0.44 -0.23 0.00 0.00 178.00 178.68 1h4b h ASP 44 N 0.30 0.00 0.52 1.44 3.32 -1.99 0.15 116.42 120.16 1h4b h ASP 44 Ca 0.03 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.78 1h4b h ASP 44 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1h4b h ASP 44 CO 0.07 0.08 -1.38 -0.33 -1.72 0.00 0.00 179.24 175.96 1h4b h GLU 45 N 0.00 0.29 -0.31 3.56 5.08 -1.92 -2.64 114.58 118.65 1h4b h GLU 45 Ca -0.00 -0.50 -0.11 0.00 -1.00 0.00 0.00 59.36 57.75 1h4b h GLU 45 Cb 0.14 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1h4b h GLU 45 CO 0.01 1.20 -0.25 0.28 -1.00 0.00 0.00 179.01 179.25 1h4b h VAL 46 N 0.08 1.27 -0.26 3.13 2.07 -1.10 -0.69 116.25 120.75 1h4b h VAL 46 Ca -0.19 -1.32 -0.16 0.00 0.82 0.00 0.00 66.70 65.84 1h4b h VAL 46 Cb 2.01 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1h4b h VAL 46 CO 0.20 0.43 -0.49 0.11 0.02 0.00 0.00 177.57 177.83 1h4b h LYS 47 N 0.53 0.72 -0.36 1.57 1.57 -0.79 -2.65 116.57 117.17 1h4b h LYS 47 Ca 0.07 -0.43 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 1h4b h LYS 47 Cb 0.71 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1h4b h LYS 47 CO 0.05 1.05 -0.22 1.25 -0.57 0.00 0.00 179.45 181.02 1h4b h HIS 48 N 0.57 0.78 -0.26 -1.35 2.76 -1.16 -1.28 115.15 115.22 1h4b h HIS 48 Ca 0.03 -0.17 -0.00 0.00 -2.20 0.00 0.00 60.37 58.03 1h4b h HIS 48 Cb 1.06 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 1h4b h HIS 48 CO 0.05 0.85 0.16 0.52 -1.30 0.00 0.00 177.93 178.22 1h4b h MET 49 N 0.61 0.35 -0.18 5.26 2.86 -0.95 -0.88 114.93 122.00 1h4b h MET 49 Ca 0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1h4b h MET 49 Cb 0.70 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1h4b h MET 49 CO 0.05 0.26 0.09 0.52 1.06 0.00 0.00 176.91 178.89 1h4b h MET 50 N 0.33 0.25 0.00 1.72 2.07 -1.27 0.81 114.93 118.84 1h4b h MET 50 Ca 0.09 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 1h4b h MET 50 Cb -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.68 1h4b h MET 50 CO -0.02 0.28 0.08 0.00 1.07 0.00 0.00 176.91 178.32 1h4b h ALA 51 N 0.96 1.08 0.02 6.32 0.00 -0.89 1.59 119.26 128.33 1h4b h ALA 51 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.60 1h4b h ALA 51 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1h4b h ALA 51 CO -0.01 -0.08 -2.33 0.39 0.00 0.00 0.00 179.25 177.23 1h4b n GLU 52 N -2.81 0.68 0.06 0.00 1.02 -0.25 -4.39 120.64 114.94 1h4b n GLU 52 Ca -0.02 0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 57.13 1h4b n GLU 52 Cb 0.14 -1.57 -0.13 0.00 -0.02 0.00 0.00 31.44 29.86 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 0.01 1.43 -1.54 -3.67 2.04 0.18 -3.43 117.51 112.52 1h4b h ILE 53 Ca -0.53 -3.11 -0.48 0.00 1.00 0.00 0.00 64.86 61.75 1h4b h ILE 53 Cb 2.03 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 40.92 1h4b h ILE 53 CO -0.02 0.86 1.63 -0.67 0.00 0.00 0.00 178.15 179.95 1h4b n ASP 54 N -3.39 2.30 -0.04 1.72 2.03 0.53 -4.80 116.55 114.90 1h4b n ASP 54 Ca -0.08 -0.38 -0.14 0.00 0.52 0.00 0.00 54.79 54.72 1h4b n ASP 54 Cb 1.00 -1.54 -0.08 0.00 -0.72 0.00 0.00 41.12 39.77 1h4b n ASP 54 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1h4b h THR 55 N 7.66 1.39 0.13 5.18 1.35 -1.86 -3.32 112.91 123.44 1h4b h THR 55 Ca -0.25 -1.42 -0.33 0.00 -0.55 0.00 0.00 66.41 63.87 1h4b h THR 55 Cb 1.27 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.80 1h4b h THR 55 CO 1.15 0.40 -1.68 -2.24 -0.25 0.00 0.00 175.52 172.90 1h4b h ASP 56 N -0.20 0.45 0.00 5.36 2.03 -1.92 -3.48 116.42 118.66 1h4b h ASP 56 Ca 0.01 -0.69 0.00 0.00 -0.73 0.00 0.00 57.03 55.61 1h4b h ASP 56 Cb 0.72 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1h4b h ASP 56 CO 0.03 1.59 0.00 0.61 -1.03 0.00 0.00 179.24 180.44 1h4b n GLY 57 N 1.77 1.84 0.01 7.15 0.00 -1.25 -4.97 105.19 109.74 1h4b n GLY 57 Ca -0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.04 0.00 1.61 5.75 -1.26 -4.85 116.55 117.85 1h4b n ASP 58 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 1h4b n ASP 58 Cb 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 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 1.17 0.41 3.15 6.12 0.00 -1.26 -5.06 105.19 109.72 1h4b n GLY 59 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.10 0.89 -0.16 1.61 0.40 -1.26 -4.42 117.98 112.93 1h4b s PHE 60 Ca 0.00 -0.78 -0.05 0.00 -0.60 0.00 0.00 56.93 55.50 1h4b s PHE 60 Cb 0.00 -0.51 -0.03 0.00 0.51 0.00 0.00 43.02 42.99 1h4b s PHE 60 CO 0.00 -0.10 -0.01 0.42 0.70 0.00 0.00 175.22 176.23 1h4b s ILE 61 N -2.96 4.09 0.41 0.64 -1.09 -0.68 -4.76 121.20 116.85 1h4b s ILE 61 Ca 0.07 -0.28 0.06 0.00 -2.23 0.00 0.00 60.65 58.26 1h4b s ILE 61 Cb 0.01 -2.81 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1h4b s ILE 61 CO -0.03 0.48 0.58 -0.94 -1.23 0.00 0.00 174.94 173.80 1h4b s SER 62 N 0.41 5.74 0.23 3.58 1.04 -1.26 -1.40 113.70 122.03 1h4b s SER 62 Ca -0.02 -0.19 -0.06 0.00 0.48 0.00 0.00 55.95 56.16 1h4b s SER 62 Cb -0.14 -1.00 0.36 0.00 0.10 0.00 0.00 66.02 65.34 1h4b s SER 62 CO 0.02 -0.69 1.78 0.15 0.98 0.00 0.00 173.24 175.48 1h4b h PHE 63 N 0.62 0.65 -0.08 5.02 3.57 -1.97 0.44 116.94 125.19 1h4b h PHE 63 Ca -0.43 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.12 1h4b h PHE 63 Cb 1.27 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1h4b h PHE 63 CO 0.41 0.23 -0.03 0.37 -2.23 0.00 0.00 178.31 177.06 1h4b h GLN 64 N 0.61 -0.01 -0.35 1.11 5.75 -1.93 0.61 115.11 120.89 1h4b h GLN 64 Ca 0.36 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 1h4b h GLN 64 Cb 0.39 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1h4b h GLN 64 CO -0.28 -0.01 0.22 0.93 -2.65 0.00 0.00 178.83 177.05 1h4b h GLU 65 N -0.01 0.47 -0.32 1.69 5.08 -1.57 0.12 114.58 120.04 1h4b h GLU 65 Ca 0.04 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1h4b h GLU 65 Cb 0.07 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1h4b h GLU 65 CO -0.09 0.33 0.09 0.35 -1.00 0.00 0.00 179.01 178.70 1h4b h PHE 66 N 0.47 0.45 -0.07 4.33 3.04 0.33 -0.11 116.94 125.38 1h4b h PHE 66 Ca 0.13 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 1h4b h PHE 66 Cb -0.03 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.34 1h4b h PHE 66 CO -0.05 0.39 -0.08 1.15 -2.02 0.00 0.00 178.31 177.70 1h4b h THR 67 N 0.45 1.38 -0.90 4.41 2.02 0.12 1.38 112.91 121.77 1h4b h THR 67 Ca 0.11 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1h4b h THR 67 Cb 0.15 2.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 1h4b h THR 67 CO -0.01 0.35 0.58 -0.78 0.37 0.00 0.00 175.52 176.04 1h4b h ASP 68 N -0.26 1.05 0.37 4.18 1.82 -0.37 -0.15 116.42 123.06 1h4b h ASP 68 Ca 0.01 -0.04 -0.32 0.00 -0.39 0.00 0.00 57.03 56.29 1h4b h ASP 68 Cb 0.61 -0.26 0.03 0.00 0.68 0.00 0.00 39.33 40.39 1h4b h ASP 68 CO 0.02 0.77 -1.42 0.15 -1.61 0.00 0.00 179.24 177.15 1h4b h PHE 69 N 1.23 0.85 0.00 0.28 3.04 -0.95 -3.17 116.94 118.22 1h4b h PHE 69 Ca 0.33 -0.62 -0.00 0.00 3.98 0.00 0.00 57.97 61.65 1h4b h PHE 69 Cb -0.11 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 1h4b h PHE 69 CO 0.00 1.49 -0.02 0.78 -2.02 0.00 0.00 178.31 178.54 1h4b h GLY 70 N 0.57 0.00 1.59 2.40 0.00 0.23 -1.13 103.07 106.74 1h4b h GLY 70 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.87 1h4b h GLY 70 CO 0.26 0.00 -1.00 3.21 0.00 0.00 0.00 176.54 179.01 1h4b h ARG 71 N 0.00 0.35 0.00 4.80 3.08 -1.02 0.26 114.38 121.85 1h4b h ARG 71 Ca -0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1h4b h ARG 71 Cb 0.05 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1h4b h ARG 71 CO 0.00 1.11 0.00 0.00 -1.07 0.00 0.00 179.97 180.01 1h4b h ALA 72 N 0.73 1.00 -0.69 0.04 0.00 -1.18 -3.23 119.26 115.93 1h4b h ALA 72 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 1h4b h ALA 72 Cb 1.65 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 19.14 1h4b h ALA 72 CO 0.17 0.00 -0.86 0.27 0.00 0.00 0.00 179.25 178.82 1h4b n ASN 73 N -2.68 0.01 -0.34 0.00 0.23 -1.08 -4.94 115.26 106.46 1h4b n ASN 73 Ca 0.00 -2.71 0.21 0.00 -0.53 0.00 0.00 54.58 51.56 1h4b n ASN 73 Cb 0.20 0.14 0.46 0.00 -2.08 0.00 0.00 39.78 38.50 1h4b n ASN 73 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1h4b h ARG 74 N 2.66 0.44 -0.09 -3.83 3.08 -0.51 1.67 114.38 117.80 1h4b h ARG 74 Ca -0.14 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.90 1h4b h ARG 74 Cb 1.20 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 1h4b h ARG 74 CO 0.28 0.29 0.14 0.78 -1.07 0.00 0.00 179.97 180.40 1h4b h GLY 75 N 0.46 0.00 0.68 0.04 0.00 -1.91 -1.13 103.07 101.21 1h4b h GLY 75 Ca 0.64 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.82 1h4b h GLY 75 CO -0.40 0.00 -0.62 1.41 0.00 0.00 0.00 176.54 176.93 1h4b h LEU 76 N 0.00 0.45 -1.89 3.11 3.38 0.22 -3.14 115.31 117.44 1h4b h LEU 76 Ca 0.04 -0.84 -0.01 0.00 0.09 0.00 0.00 57.88 57.16 1h4b h LEU 76 Cb 0.32 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1h4b h LEU 76 CO -0.00 1.25 -0.04 -0.07 0.09 0.00 0.00 178.44 179.67 1h4b h LEU 77 N -0.28 0.00 0.00 1.67 3.38 -1.10 -1.56 115.31 117.41 1h4b h LEU 77 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1h4b h LEU 77 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1h4b h LEU 77 CO 0.12 0.04 -0.00 0.11 0.09 0.00 0.00 178.44 178.80 1h4b h LYS 78 N 0.00 0.00 0.10 1.13 1.57 -1.32 -2.62 116.57 115.43 1h4b h LYS 78 Ca -0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1h4b h LYS 78 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1h4b h LYS 78 CO 0.01 0.00 -1.79 -0.44 -0.57 0.00 0.00 179.45 176.66 1h4b h ASP 79 N 0.00 0.34 0.07 0.86 3.32 -1.25 -3.33 116.42 116.42 1h4b h ASP 79 Ca 0.00 -0.63 -0.17 0.00 0.02 0.00 0.00 57.03 56.25 1h4b h ASP 79 Cb 0.97 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1h4b h ASP 79 CO 0.00 1.55 -0.60 0.58 -1.72 0.00 0.00 179.24 179.05 1h4b h VAL 80 N 0.06 1.33 -0.39 -1.35 2.07 -1.50 -3.07 116.25 113.40 1h4b h VAL 80 Ca -0.34 -1.88 0.07 0.00 0.82 0.00 0.00 66.70 65.37 1h4b h VAL 80 Cb 2.03 1.86 -0.07 0.00 -1.52 0.00 0.00 31.29 33.60 1h4b h VAL 80 CO 0.11 0.58 -0.02 0.00 0.02 0.00 0.00 177.57 178.27 1h4b h ALA 81 N 0.94 0.34 0.00 1.67 0.00 -1.60 0.14 119.26 120.75 1h4b h ALA 81 Ca -0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1h4b h ALA 81 Cb 1.16 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1h4b h ALA 81 CO 0.11 -0.41 -0.09 0.87 0.00 0.00 0.00 179.25 179.73 1h4b h LYS 82 N 0.08 0.00 -0.22 0.00 1.57 -1.65 -1.39 116.57 114.95 1h4b h LYS 82 Ca 0.19 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1h4b h LYS 82 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1h4b h LYS 82 CO -0.34 0.09 0.08 0.82 -0.57 0.00 0.00 179.45 179.54 1h4b h ILE 83 N 0.00 1.10 -0.02 1.86 2.04 -0.63 -3.52 117.51 118.34 1h4b h ILE 83 Ca -0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1h4b h ILE 83 Cb 0.18 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1h4b h ILE 83 CO 0.01 0.12 0.00 0.49 0.00 0.00 0.00 178.15 178.77