#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 1.38 -4.72 0.00 5.75 -1.26 -4.86 116.55 112.85 1h4b n ASP 2 Ca 0.00 -2.07 -0.42 0.00 -0.01 0.00 0.00 54.79 52.29 1h4b n ASP 2 Cb 0.00 -0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 39.81 1h4b n ASP 2 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1h4b s ASP 3 N -0.77 7.13 0.14 -1.12 1.01 -1.26 -5.03 116.67 116.77 1h4b s ASP 3 Ca 0.13 2.00 0.06 0.00 0.71 0.00 0.00 52.55 55.46 1h4b s ASP 3 Cb 0.08 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1h4b s ASP 3 CO 0.07 -0.42 -0.00 -2.28 0.21 0.00 0.00 175.17 172.76 1h4b s HIS 4 N 0.84 2.89 0.40 4.23 2.46 -1.26 -4.99 115.29 119.86 1h4b s HIS 4 Ca 0.57 -0.10 0.39 0.00 0.47 0.00 0.00 55.06 56.39 1h4b s HIS 4 Cb -0.29 -1.44 1.94 0.00 -0.13 0.00 0.00 32.58 32.67 1h4b s HIS 4 CO 0.30 0.50 2.19 -1.00 -2.47 0.00 0.00 174.74 174.26 1h4b h PRO 5 N 2.99 0.00 -0.89 2.88 0.13 -2.02 -2.25 132.00 132.83 1h4b h PRO 5 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1h4b h PRO 5 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1h4b h PRO 5 CO 0.58 0.00 0.59 1.96 -0.23 0.00 0.00 178.00 180.90 1h4b h GLN 6 N 0.00 1.14 0.20 0.86 4.20 -2.01 -2.58 115.11 116.92 1h4b h GLN 6 Ca 0.00 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1h4b h GLN 6 Cb 0.23 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1h4b h GLN 6 CO 0.00 0.75 -0.13 -0.44 -0.67 0.00 0.00 178.83 178.34 1h4b h ASP 7 N 1.18 -0.33 -1.15 1.46 3.32 -1.82 -1.61 116.42 117.47 1h4b h ASP 7 Ca 0.33 0.02 0.34 0.00 0.02 0.00 0.00 57.03 57.75 1h4b h ASP 7 Cb -0.09 0.10 -0.11 0.00 0.22 0.00 0.00 39.33 39.45 1h4b h ASP 7 CO -0.08 -0.21 0.74 0.11 -1.72 0.00 0.00 179.24 178.08 1h4b h LYS 8 N -0.32 0.25 -0.37 3.56 1.57 -1.59 0.77 116.57 120.43 1h4b h LYS 8 Ca -0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1h4b h LYS 8 Cb 0.28 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1h4b h LYS 8 CO 0.01 0.16 0.22 0.00 -0.57 0.00 0.00 179.45 179.28 1h4b h ALA 9 N 1.62 0.47 -0.31 3.86 0.00 -1.20 1.27 119.26 124.97 1h4b h ALA 9 Ca 0.69 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.42 1h4b h ALA 9 Cb 1.96 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1h4b h ALA 9 CO -0.36 -0.04 -0.34 0.93 0.00 0.00 0.00 179.25 179.44 1h4b h GLU 10 N 0.48 0.69 -0.33 0.00 5.08 0.53 -0.23 114.58 120.80 1h4b h GLU 10 Ca 0.13 -0.33 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 1h4b h GLU 10 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1h4b h GLU 10 CO -0.02 0.93 -0.42 0.00 -1.00 0.00 0.00 179.01 178.50 1h4b h ARG 11 N 0.58 0.86 -0.53 2.33 3.08 -0.11 -1.34 114.38 119.24 1h4b h ARG 11 Ca 0.06 -0.49 -0.10 0.00 0.07 0.00 0.00 59.98 59.53 1h4b h ARG 11 Cb 0.86 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1h4b h ARG 11 CO 0.07 1.13 -0.04 0.93 -1.07 0.00 0.00 179.97 180.99 1h4b h GLU 12 N 0.64 0.96 -0.56 0.04 5.08 0.17 0.24 114.58 121.15 1h4b h GLU 12 Ca 0.04 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1h4b h GLU 12 Cb 1.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1h4b h GLU 12 CO 0.10 0.99 0.08 0.00 -1.00 0.00 0.00 179.01 179.18 1h4b h ARG 13 N 0.83 0.94 -0.16 2.33 3.08 -0.96 0.57 114.38 121.01 1h4b h ARG 13 Ca 0.14 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1h4b h ARG 13 Cb 0.59 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1h4b h ARG 13 CO 0.04 0.91 -0.15 0.82 -1.07 0.00 0.00 179.97 180.52 1h4b h ILE 14 N 0.83 1.34 -0.36 2.04 2.04 -1.05 -1.91 117.51 120.44 1h4b h ILE 14 Ca 0.17 -1.29 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 1h4b h ILE 14 Cb 0.44 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1h4b h ILE 14 CO 0.01 0.38 -0.12 0.15 0.00 0.00 0.00 178.15 178.58 1h4b h PHE 15 N 0.03 0.69 -0.22 1.37 3.57 -0.39 -2.28 116.94 119.70 1h4b h PHE 15 Ca 0.03 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 1h4b h PHE 15 Cb 0.67 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1h4b h PHE 15 CO 0.08 0.73 -0.16 0.87 -2.23 0.00 0.00 178.31 177.59 1h4b h LYS 16 N 0.58 0.38 -0.17 1.11 1.57 0.27 -1.84 116.57 118.46 1h4b h LYS 16 Ca 0.10 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1h4b h LYS 16 Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1h4b h LYS 16 CO 0.03 0.54 -0.45 0.00 -0.57 0.00 0.00 179.45 179.00 1h4b h ARG 17 N 0.35 0.43 -0.09 3.15 3.08 -0.80 -3.16 114.38 117.33 1h4b h ARG 17 Ca 0.06 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 1h4b h ARG 17 Cb 0.50 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1h4b h ARG 17 CO 0.03 0.80 -0.10 0.74 -1.07 0.00 0.00 179.97 180.37 1h4b h PHE 18 N 0.35 0.28 -1.62 3.04 0.04 -0.99 -3.41 116.94 114.63 1h4b h PHE 18 Ca 0.02 -0.08 -0.51 0.00 2.80 0.00 0.00 57.97 60.20 1h4b h PHE 18 Cb 0.94 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.03 1h4b h PHE 18 CO 0.03 0.66 1.59 -3.47 -0.60 0.00 0.00 178.31 176.52 1h4b n ASP 19 N -4.66 2.51 0.08 2.17 2.03 -0.74 -4.44 116.55 113.50 1h4b n ASP 19 Ca -0.07 -0.23 -0.13 0.00 0.52 0.00 0.00 54.79 54.88 1h4b n ASP 19 Cb 0.33 -1.53 -0.08 0.00 -0.72 0.00 0.00 41.12 39.11 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 17.61 -0.21 0.00 -1.67 0.00 -1.84 -3.24 119.26 129.91 1h4b h ALA 20 Ca -0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1h4b h ALA 20 Cb 1.27 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1h4b h ALA 20 CO 1.10 -0.46 -0.89 -2.95 0.00 0.00 0.00 179.25 176.05 1h4b h ASN 21 N -0.51 0.00 -1.22 0.00 -1.07 -1.91 -3.48 115.58 107.38 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 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1h4b h ASN 21 CO 0.03 0.20 0.00 0.61 0.07 0.00 0.00 177.43 178.35 1h4b n GLY 22 N 1.23 0.76 1.23 9.14 0.00 -1.23 -4.96 105.19 111.36 1h4b n GLY 22 Ca -0.02 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 0.45 3.63 0.00 1.61 5.75 -1.26 -4.91 116.55 121.82 1h4b n ASP 23 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1h4b n ASP 23 Cb 0.44 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 1.57 1.11 3.15 6.12 0.00 -1.26 -5.03 105.19 110.85 1h4b n GLY 24 Ca 0.21 0.00 -0.24 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 -0.70 1.30 -0.10 1.61 -2.85 -1.26 -3.78 119.74 113.95 1h4b s LYS 25 Ca 0.00 -0.62 0.01 0.00 -1.00 0.00 0.00 55.97 54.36 1h4b s LYS 25 Cb 0.00 -1.27 -0.02 0.00 -2.06 0.00 0.00 37.83 34.48 1h4b s LYS 25 CO 0.00 0.34 -0.12 0.42 0.10 0.00 0.00 175.35 176.10 1h4b s ILE 26 N -0.45 3.20 0.39 3.79 1.01 -0.41 -4.81 121.20 123.93 1h4b s ILE 26 Ca 0.06 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1h4b s ILE 26 Cb -0.07 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1h4b s ILE 26 CO -0.00 0.55 0.37 -0.94 0.00 0.00 0.00 174.94 174.92 1h4b s SER 27 N -0.10 5.22 0.23 3.58 1.04 -1.26 -1.22 113.70 121.18 1h4b s SER 27 Ca -0.01 -0.61 -0.07 0.00 0.48 0.00 0.00 55.95 55.73 1h4b s SER 27 Cb -0.14 -0.73 0.39 0.00 0.10 0.00 0.00 66.02 65.64 1h4b s SER 27 CO 0.03 -0.56 1.69 0.00 0.98 0.00 0.00 173.24 175.39 1h4b h ALA 28 N 1.06 0.84 -0.93 5.32 0.00 -1.93 0.61 119.26 124.23 1h4b h ALA 28 Ca -0.42 0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1h4b h ALA 28 Cb 1.26 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 1h4b h ALA 28 CO 0.56 -0.32 0.61 0.00 0.00 0.00 0.00 179.25 180.10 1h4b h ALA 29 N 1.55 1.48 0.09 0.00 0.00 -1.96 1.83 119.26 122.25 1h4b h ALA 29 Ca 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1h4b h ALA 29 Cb 0.60 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1h4b h ALA 29 CO -0.47 0.38 -0.04 0.93 0.00 0.00 0.00 179.25 180.05 1h4b h GLU 30 N 1.07 -0.11 -0.67 0.00 5.08 -0.76 -0.66 114.58 118.53 1h4b h GLU 30 Ca 0.40 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1h4b h GLU 30 Cb 0.19 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1h4b h GLU 30 CO -0.15 0.40 0.31 1.25 -1.00 0.00 0.00 179.01 179.82 1h4b h LEU 31 N -0.90 0.88 -0.47 1.33 5.85 0.22 -1.82 115.31 120.41 1h4b h LEU 31 Ca -0.01 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1h4b h LEU 31 Cb 0.57 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1h4b h LEU 31 CO 0.02 0.78 0.20 1.23 -0.34 0.00 0.00 178.44 180.33 1h4b h GLY 32 N 0.93 0.74 0.69 3.75 0.00 0.28 0.41 103.07 109.86 1h4b h GLY 32 Ca 0.23 -0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.23 1h4b h GLY 32 CO -0.03 0.37 0.36 0.83 0.00 0.00 0.00 176.54 178.07 1h4b h GLU 33 N 0.61 0.65 -0.21 4.80 5.08 -0.68 0.16 114.58 124.99 1h4b h GLU 33 Ca 0.16 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.28 1h4b h GLU 33 Cb 0.16 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1h4b h GLU 33 CO -0.02 0.43 -0.66 0.00 -1.00 0.00 0.00 179.01 177.76 1h4b h ALA 34 N 1.34 0.42 -0.45 3.43 0.00 -0.99 -2.96 119.26 120.05 1h4b h ALA 34 Ca 0.29 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1h4b h ALA 34 Cb 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1h4b h ALA 34 CO -0.18 0.69 0.30 -0.07 0.00 0.00 0.00 179.25 179.99 1h4b h LEU 35 N 0.57 0.40 -1.48 0.00 3.38 0.76 -1.16 115.31 117.78 1h4b h LEU 35 Ca -0.02 -0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.19 1h4b h LEU 35 Cb 1.28 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1h4b h LEU 35 CO 0.14 0.27 0.93 0.11 0.09 0.00 0.00 178.44 179.98 1h4b h LYS 36 N 0.46 0.00 -0.41 1.13 1.57 -0.53 0.72 116.57 119.50 1h4b h LYS 36 Ca 0.19 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.09 1h4b h LYS 36 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1h4b h LYS 36 CO -0.05 0.00 0.48 0.00 -0.57 0.00 0.00 179.45 179.31 1h4b h THR 37 N 0.00 0.33 -0.16 -0.16 1.03 -1.39 0.50 112.91 113.06 1h4b h THR 37 Ca 0.40 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.78 1h4b h THR 37 Cb 2.25 0.61 -0.01 0.00 -1.07 0.00 0.00 68.15 69.94 1h4b h THR 37 CO -0.00 0.00 -0.01 -0.07 -0.01 0.00 0.00 175.52 175.43 1h4b h LEU 38 N 0.00 0.21 0.00 0.00 3.38 0.22 -3.45 115.31 115.67 1h4b h LEU 38 Ca 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1h4b h LEU 38 Cb 1.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.84 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 -1.19 0.28 2.65 0.83 0.00 0.17 -4.78 105.19 103.15 1h4b n GLY 39 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.39 -1.54 -3.96 1.61 7.64 -1.26 -5.14 113.62 110.58 1h4b n SER 40 Ca 0.00 -3.19 -0.13 0.00 1.01 0.00 0.00 58.87 56.56 1h4b n SER 40 Cb 0.20 1.17 -0.09 0.00 -1.01 0.00 0.00 64.21 64.48 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 -0.34 0.00 0.31 0.44 2.07 -1.26 -5.18 121.20 117.24 1h4b s ILE 41 Ca 0.25 -1.92 0.06 0.00 -1.41 0.00 0.00 60.65 57.63 1h4b s ILE 41 Cb 0.34 -2.48 -0.06 0.00 0.13 0.00 0.00 42.46 40.39 1h4b s ILE 41 CO -0.06 0.00 -0.03 0.42 -1.91 0.00 0.00 174.94 173.36 1h4b s THR 42 N -3.94 1.66 0.26 4.00 -4.23 -1.26 -5.03 115.64 107.10 1h4b s THR 42 Ca 0.37 -2.10 0.03 0.00 -1.18 0.00 0.00 61.69 58.82 1h4b s THR 42 Cb 0.05 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.31 1h4b s THR 42 CO 0.15 -0.21 1.63 1.55 -0.54 0.00 0.00 174.62 177.21 1h4b h PRO 43 N 2.17 0.35 0.00 3.99 0.13 -1.99 -2.75 132.00 133.89 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 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h4b h PRO 43 CO 0.69 0.73 -0.10 -0.44 -0.23 0.00 0.00 178.00 178.66 1h4b h ASP 44 N 0.28 0.00 0.43 1.44 3.32 -1.99 -1.03 116.42 118.86 1h4b h ASP 44 Ca 0.02 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.76 1h4b h ASP 44 Cb 0.91 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.48 1h4b h ASP 44 CO 0.08 0.10 -1.41 -0.33 -1.72 0.00 0.00 179.24 175.95 1h4b h GLU 45 N 0.00 0.39 -0.47 3.56 5.08 -1.91 -2.72 114.58 118.52 1h4b h GLU 45 Ca -0.00 -0.67 -0.07 0.00 -1.00 0.00 0.00 59.36 57.62 1h4b h GLU 45 Cb 0.25 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1h4b h GLU 45 CO 0.01 1.31 0.01 0.28 -1.00 0.00 0.00 179.01 179.62 1h4b h VAL 46 N 0.11 1.24 -0.43 3.13 2.07 -1.26 -0.18 116.25 120.92 1h4b h VAL 46 Ca -0.21 -0.97 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 1h4b h VAL 46 Cb 2.07 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1h4b h VAL 46 CO 0.23 0.34 -0.24 0.11 0.02 0.00 0.00 177.57 178.04 1h4b h LYS 47 N 0.72 0.90 -0.52 1.57 1.57 -1.25 -1.81 116.57 117.75 1h4b h LYS 47 Ca 0.14 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1h4b h LYS 47 Cb 0.43 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1h4b h LYS 47 CO 0.02 1.03 -0.05 1.25 -0.57 0.00 0.00 179.45 181.13 1h4b h HIS 48 N 0.77 1.06 -0.39 -1.35 2.76 -1.10 -0.34 115.15 116.56 1h4b h HIS 48 Ca 0.10 -0.20 -0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1h4b h HIS 48 Cb 0.79 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 1h4b h HIS 48 CO 0.05 0.98 0.24 0.52 -1.30 0.00 0.00 177.93 178.42 1h4b h MET 49 N 0.83 0.53 -0.16 5.26 2.86 -0.84 -1.17 114.93 122.24 1h4b h MET 49 Ca 0.14 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1h4b h MET 49 Cb 0.59 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1h4b h MET 49 CO 0.04 0.39 0.08 0.52 1.06 0.00 0.00 176.91 179.00 1h4b h MET 50 N 0.51 0.22 -0.01 1.72 2.07 -1.12 0.87 114.93 119.19 1h4b h MET 50 Ca 0.14 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 1h4b h MET 50 Cb -0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 29.69 1h4b h MET 50 CO -0.03 0.24 0.12 0.00 1.07 0.00 0.00 176.91 178.31 1h4b h ALA 51 N 0.97 1.17 0.02 6.32 0.00 -0.69 1.74 119.26 128.79 1h4b h ALA 51 Ca 0.05 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.60 1h4b h ALA 51 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1h4b h ALA 51 CO -0.01 -0.13 -2.26 0.39 0.00 0.00 0.00 179.25 177.24 1h4b n GLU 52 N -3.07 0.68 0.05 0.00 1.02 -0.28 -4.34 120.64 114.68 1h4b n GLU 52 Ca -0.02 0.15 -0.08 0.00 -0.02 0.00 0.00 57.16 57.18 1h4b n GLU 52 Cb 0.19 -1.59 -0.13 0.00 -0.02 0.00 0.00 31.44 29.89 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 1.49 -1.72 -3.67 2.04 0.19 -3.43 117.51 112.43 1h4b h ILE 53 Ca -0.50 -3.23 -0.48 0.00 1.00 0.00 0.00 64.86 61.65 1h4b h ILE 53 Cb 2.04 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 40.88 1h4b h ILE 53 CO -0.00 0.86 1.58 -0.62 0.00 0.00 0.00 178.15 179.97 1h4b s ASP 54 N -6.61 4.66 -0.04 1.72 2.15 0.58 -4.81 116.67 114.32 1h4b s ASP 54 Ca -0.01 1.10 -0.24 0.00 0.43 0.00 0.00 52.55 53.83 1h4b s ASP 54 Cb 0.09 -2.51 -0.21 0.00 -0.30 0.00 0.00 42.92 39.99 1h4b s ASP 54 CO 0.83 -2.71 1.12 0.71 -0.17 0.00 0.00 175.17 174.95 1h4b h THR 55 N 7.53 1.50 0.00 1.71 1.35 -1.86 -3.32 112.91 119.81 1h4b h THR 55 Ca -0.26 -1.68 -0.21 0.00 -0.55 0.00 0.00 66.41 63.70 1h4b h THR 55 Cb 1.25 2.53 -0.03 0.00 -1.73 0.00 0.00 68.15 70.16 1h4b h THR 55 CO 1.14 0.46 -1.23 -2.24 -0.25 0.00 0.00 175.52 173.40 1h4b h ASP 56 N -0.46 0.00 0.00 5.36 2.03 -1.92 -3.48 116.42 117.95 1h4b h ASP 56 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1h4b h ASP 56 Cb 0.82 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 1h4b h ASP 56 CO 0.03 0.86 0.00 0.61 -1.03 0.00 0.00 179.24 179.71 1h4b n GLY 57 N 1.41 1.17 0.09 7.15 0.00 -1.25 -4.96 105.19 108.80 1h4b n GLY 57 Ca -0.07 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 0.88 0.36 0.00 1.61 5.75 -1.26 -4.88 116.55 119.01 1h4b n ASP 58 Ca 0.00 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.23 1h4b n ASP 58 Cb 0.17 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 1.25 0.12 3.19 6.12 0.00 -1.26 -5.06 105.19 109.56 1h4b n GLY 59 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 1.22 -0.18 1.61 0.08 -1.26 -4.43 117.98 113.02 1h4b s PHE 60 Ca 0.00 -0.56 -0.07 0.00 0.12 0.00 0.00 56.93 56.42 1h4b s PHE 60 Cb 0.00 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.75 1h4b s PHE 60 CO 0.00 0.07 0.05 0.42 -0.10 0.00 0.00 175.22 175.66 1h4b s ILE 61 N -1.96 4.68 0.38 0.64 -1.09 -0.36 -4.76 121.20 118.73 1h4b s ILE 61 Ca 0.04 -0.07 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 1h4b s ILE 61 Cb -0.06 -3.11 -0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1h4b s ILE 61 CO 0.02 0.46 0.55 -0.94 -1.23 0.00 0.00 174.94 173.79 1h4b s SER 62 N 0.42 5.89 0.25 3.58 1.04 -1.26 -1.29 113.70 122.33 1h4b s SER 62 Ca 0.02 -0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.37 1h4b s SER 62 Cb -0.13 -1.27 0.47 0.00 0.10 0.00 0.00 66.02 65.19 1h4b s SER 62 CO 0.01 -0.56 1.78 0.15 0.98 0.00 0.00 173.24 175.61 1h4b h PHE 63 N 0.70 0.81 -0.14 5.02 3.57 -1.96 0.27 116.94 125.21 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 1.26 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1h4b h PHE 63 CO 0.43 0.26 0.09 0.37 -2.23 0.00 0.00 178.31 177.23 1h4b h GLN 64 N 0.70 0.19 -0.27 1.11 5.75 -1.93 0.45 115.11 121.11 1h4b h GLN 64 Ca 0.43 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 1h4b h GLN 64 Cb 0.52 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1h4b h GLN 64 CO -0.31 0.14 0.17 0.93 -2.65 0.00 0.00 178.83 177.12 1h4b h GLU 65 N 0.18 0.36 -0.46 1.69 5.08 -1.48 0.79 114.58 120.73 1h4b h GLU 65 Ca 0.05 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1h4b h GLU 65 Cb -0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1h4b h GLU 65 CO -0.01 0.25 0.15 0.35 -1.00 0.00 0.00 179.01 178.74 1h4b h PHE 66 N 0.36 0.68 -0.09 4.33 3.04 -0.20 -0.64 116.94 124.43 1h4b h PHE 66 Ca 0.10 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.99 1h4b h PHE 66 Cb -0.03 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.27 1h4b h PHE 66 CO -0.05 0.56 -0.01 1.15 -2.02 0.00 0.00 178.31 177.93 1h4b h THR 67 N 0.66 1.28 -0.81 4.41 2.02 0.70 1.10 112.91 122.28 1h4b h THR 67 Ca 0.16 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1h4b h THR 67 Cb 0.20 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 1h4b h THR 67 CO -0.01 0.25 0.51 0.44 0.37 0.00 0.00 175.52 177.08 1h4b h ASP 68 N -0.16 0.95 0.20 4.18 3.32 -0.53 -1.43 116.42 122.95 1h4b h ASP 68 Ca 0.02 -0.04 -0.27 0.00 0.02 0.00 0.00 57.03 56.76 1h4b h ASP 68 Cb 0.40 -0.24 0.02 0.00 0.22 0.00 0.00 39.33 39.73 1h4b h ASP 68 CO 0.01 0.71 -1.13 0.15 -1.72 0.00 0.00 179.24 177.25 1h4b h PHE 69 N 1.11 0.88 -0.14 4.55 3.04 -0.94 -3.09 116.94 122.35 1h4b h PHE 69 Ca 0.29 -0.53 0.04 0.00 3.98 0.00 0.00 57.97 61.76 1h4b h PHE 69 Cb -0.09 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 1h4b h PHE 69 CO 0.00 1.37 0.12 0.78 -2.02 0.00 0.00 178.31 178.56 1h4b h GLY 70 N 0.67 0.00 1.86 2.40 0.00 0.19 0.11 103.07 108.29 1h4b h GLY 70 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 1h4b h GLY 70 CO 0.21 0.00 -0.64 3.21 0.00 0.00 0.00 176.54 179.32 1h4b h ARG 71 N 0.00 0.15 0.00 4.80 3.08 -1.20 0.26 114.38 121.47 1h4b h ARG 71 Ca 0.07 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1h4b h ARG 71 Cb 0.31 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1h4b h ARG 71 CO -0.00 0.73 -0.02 0.00 -1.07 0.00 0.00 179.97 179.61 1h4b h ALA 72 N 1.24 1.02 -0.84 0.04 0.00 -0.80 -3.30 119.26 116.61 1h4b h ALA 72 Ca -0.01 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 1h4b h ALA 72 Cb 1.14 -0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.65 1h4b h ALA 72 CO 0.09 0.02 -0.81 0.09 0.00 0.00 0.00 179.25 178.65 1h4b n ASN 73 N -3.13 -0.58 -0.33 0.00 3.02 -1.00 -4.95 115.26 108.29 1h4b n ASN 73 Ca -0.00 -3.11 0.17 0.00 -0.03 0.00 0.00 54.58 51.61 1h4b n ASN 73 Cb 0.26 0.52 0.40 0.00 -0.61 0.00 0.00 39.78 40.35 1h4b n ASN 73 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1h4b h ARG 74 N 2.84 0.58 0.00 3.52 3.08 -0.57 1.33 114.38 125.15 1h4b h ARG 74 Ca -0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1h4b h ARG 74 Cb 1.10 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1h4b h ARG 74 CO 0.28 0.38 0.07 0.78 -1.07 0.00 0.00 179.97 180.42 1h4b h GLY 75 N 0.59 0.00 0.80 0.04 0.00 -1.93 -1.10 103.07 101.47 1h4b h GLY 75 Ca 0.59 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.71 1h4b h GLY 75 CO -0.36 0.00 -0.90 1.41 0.00 0.00 0.00 176.54 176.69 1h4b h LEU 76 N 0.00 0.54 -0.82 3.11 3.38 0.14 -3.19 115.31 118.48 1h4b h LEU 76 Ca 0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1h4b h LEU 76 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1h4b h LEU 76 CO 0.00 1.43 0.00 -0.07 0.09 0.00 0.00 178.44 179.89 1h4b h LEU 77 N -0.25 0.00 0.00 1.67 3.38 -1.15 -1.69 115.31 117.27 1h4b h LEU 77 Ca -0.15 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.62 1h4b h LEU 77 Cb 1.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 1h4b h LEU 77 CO 0.17 0.00 -0.93 0.11 0.09 0.00 0.00 178.44 177.88 1h4b h LYS 78 N 0.00 0.00 0.04 1.13 1.57 -1.40 -2.34 116.57 115.57 1h4b h LYS 78 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1h4b h LYS 78 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1h4b h LYS 78 CO 0.00 0.93 -1.27 -0.44 -0.57 0.00 0.00 179.45 178.10 1h4b h ASP 79 N 0.00 0.14 -0.64 0.86 3.32 -1.45 -3.33 116.42 115.31 1h4b h ASP 79 Ca -0.01 -0.69 -0.02 0.00 0.02 0.00 0.00 57.03 56.33 1h4b h ASP 79 Cb 1.71 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 41.19 1h4b h ASP 79 CO 0.12 1.52 0.31 1.62 -1.72 0.00 0.00 179.24 181.09 1h4b h VAL 80 N -0.71 1.22 -0.91 -1.35 3.04 -1.46 -2.23 116.25 113.85 1h4b h VAL 80 Ca -0.32 -0.61 0.19 0.00 -1.01 0.00 0.00 66.70 64.95 1h4b h VAL 80 Cb 1.47 0.44 -0.07 0.00 -2.01 0.00 0.00 31.29 31.11 1h4b h VAL 80 CO -0.09 0.25 0.60 0.00 -1.01 0.00 0.00 177.57 177.31 1h4b h ALA 81 N 1.14 2.07 0.00 3.17 0.00 -1.58 0.32 119.26 124.39 1h4b h ALA 81 Ca 0.22 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1h4b h ALA 81 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1h4b h ALA 81 CO -0.03 -0.37 -0.34 0.87 0.00 0.00 0.00 179.25 179.39 1h4b h LYS 82 N 0.50 0.00 -0.89 0.00 1.57 -1.51 -3.13 116.57 113.11 1h4b h LYS 82 Ca 0.48 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.29 1h4b h LYS 82 Cb 1.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 1h4b h LYS 82 CO -0.21 0.34 0.58 0.82 -0.57 0.00 0.00 179.45 180.41 1h4b h ILE 83 N 0.00 1.17 -0.02 1.86 2.04 -0.17 -3.52 117.51 118.87 1h4b h ILE 83 Ca -0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1h4b h ILE 83 Cb 1.03 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1h4b h ILE 83 CO 0.04 0.21 0.00 0.49 0.00 0.00 0.00 178.15 178.89