#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 0.50 -4.58 0.00 8.00 -1.26 -4.84 116.55 114.37 1h4b n ASP 2 Ca 0.00 0.57 -0.45 0.00 0.71 0.00 0.00 54.79 55.61 1h4b n ASP 2 Cb 0.00 -0.69 -0.02 0.00 -0.02 0.00 0.00 41.12 40.39 1h4b n ASP 2 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1h4b n ASP 3 N -1.99 1.22 -4.28 -2.24 8.00 -1.26 -4.98 116.55 111.02 1h4b n ASP 3 Ca 0.05 1.17 -0.15 0.00 0.71 0.00 0.00 54.79 56.57 1h4b n ASP 3 Cb 0.34 -1.27 -0.10 0.00 -0.02 0.00 0.00 41.12 40.08 1h4b n ASP 3 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1h4b s HIS 4 N -0.90 1.37 0.31 1.24 -3.43 -1.26 -5.02 115.29 107.60 1h4b s HIS 4 Ca 0.61 -1.06 0.33 0.00 -0.80 0.00 0.00 55.06 54.14 1h4b s HIS 4 Cb -0.73 -0.79 1.57 0.00 -1.43 0.00 0.00 32.58 31.20 1h4b s HIS 4 CO 0.58 -0.23 2.08 -1.00 -2.00 0.00 0.00 174.74 174.17 1h4b h PRO 5 N 2.56 0.00 -0.89 -0.38 0.13 -2.02 -2.75 132.00 128.65 1h4b h PRO 5 Ca -0.37 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1h4b h PRO 5 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1h4b h PRO 5 CO 0.62 0.06 0.58 1.96 -0.23 0.00 0.00 178.00 180.99 1h4b h GLN 6 N 0.00 1.18 0.20 0.86 4.20 -1.99 -2.76 115.11 116.79 1h4b h GLN 6 Ca -0.00 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1h4b h GLN 6 Cb 0.38 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1h4b h GLN 6 CO 0.01 0.79 -0.32 -0.44 -0.67 0.00 0.00 178.83 178.19 1h4b h ASP 7 N 1.21 -0.90 -1.26 1.46 3.32 -1.91 -0.55 116.42 117.79 1h4b h ASP 7 Ca 0.32 0.09 0.38 0.00 0.02 0.00 0.00 57.03 57.85 1h4b h ASP 7 Cb -0.12 0.33 -0.11 0.00 0.22 0.00 0.00 39.33 39.65 1h4b h ASP 7 CO -0.07 -0.43 0.82 0.11 -1.72 0.00 0.00 179.24 177.96 1h4b h LYS 8 N -0.60 0.16 -0.54 3.56 1.57 -1.63 0.74 116.57 119.84 1h4b h LYS 8 Ca 0.01 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1h4b h LYS 8 Cb 0.59 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1h4b h LYS 8 CO -0.14 0.11 0.29 0.00 -0.57 0.00 0.00 179.45 179.14 1h4b h ALA 9 N 1.56 0.70 -0.38 3.86 0.00 -1.00 1.16 119.26 125.16 1h4b h ALA 9 Ca 0.73 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.57 1h4b h ALA 9 Cb 2.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 1h4b h ALA 9 CO -0.32 -0.03 -0.10 0.93 0.00 0.00 0.00 179.25 179.72 1h4b h GLU 10 N 0.57 0.73 -0.59 0.00 5.08 0.53 -0.43 114.58 120.47 1h4b h GLU 10 Ca 0.23 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1h4b h GLU 10 Cb 0.11 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1h4b h GLU 10 CO -0.14 0.88 0.02 0.00 -1.00 0.00 0.00 179.01 178.78 1h4b h ARG 11 N 0.54 1.02 -0.50 2.33 3.08 -0.58 -0.52 114.38 119.73 1h4b h ARG 11 Ca 0.09 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.75 1h4b h ARG 11 Cb 0.62 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1h4b h ARG 11 CO 0.04 0.98 -0.05 0.93 -1.07 0.00 0.00 179.97 180.80 1h4b h GLU 12 N 0.94 0.92 -0.53 0.04 5.08 0.15 0.33 114.58 121.51 1h4b h GLU 12 Ca 0.17 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 1h4b h GLU 12 Cb 0.51 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1h4b h GLU 12 CO 0.02 0.97 -0.07 0.00 -1.00 0.00 0.00 179.01 178.94 1h4b h ARG 13 N 0.78 0.99 -0.17 2.33 3.08 -0.83 0.31 114.38 120.87 1h4b h ARG 13 Ca 0.14 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.75 1h4b h ARG 13 Cb 0.59 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1h4b h ARG 13 CO 0.04 1.03 -0.22 0.82 -1.07 0.00 0.00 179.97 180.56 1h4b h ILE 14 N 0.86 1.34 -0.40 2.04 2.04 -0.92 -2.13 117.51 120.35 1h4b h ILE 14 Ca 0.14 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.52 1h4b h ILE 14 Cb 0.63 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 1h4b h ILE 14 CO 0.04 0.43 -0.03 0.15 0.00 0.00 0.00 178.15 178.74 1h4b h PHE 15 N 0.10 0.70 -0.02 1.37 3.04 -0.23 -1.84 116.94 120.05 1h4b h PHE 15 Ca 0.02 -0.09 -0.06 0.00 3.98 0.00 0.00 57.97 61.81 1h4b h PHE 15 Cb 0.78 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 1h4b h PHE 15 CO 0.09 0.68 -0.29 0.87 -2.02 0.00 0.00 178.31 177.64 1h4b h LYS 16 N 0.62 0.04 -0.15 1.11 1.57 -0.25 -2.07 116.57 117.44 1h4b h LYS 16 Ca 0.12 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 1h4b h LYS 16 Cb 0.43 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1h4b h LYS 16 CO 0.02 0.33 -0.56 0.00 -0.57 0.00 0.00 179.45 178.66 1h4b h ARG 17 N 0.04 0.45 -0.01 3.15 3.08 -0.65 -3.20 114.38 117.24 1h4b h ARG 17 Ca 0.00 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 1h4b h ARG 17 Cb 0.53 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1h4b h ARG 17 CO 0.04 0.89 -0.00 0.74 -1.07 0.00 0.00 179.97 180.57 1h4b h PHE 18 N 0.34 0.03 -1.38 3.04 0.04 -0.97 -3.40 116.94 114.64 1h4b h PHE 18 Ca 0.00 -0.01 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 1h4b h PHE 18 Cb 1.09 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 1h4b h PHE 18 CO 0.04 0.39 1.60 -3.47 -0.60 0.00 0.00 178.31 176.27 1h4b n ASP 19 N -4.89 2.18 0.04 2.17 -0.08 -0.84 -4.54 116.55 110.59 1h4b n ASP 19 Ca -0.08 -0.17 -0.13 0.00 -1.51 0.00 0.00 54.79 52.90 1h4b n ASP 19 Cb 0.21 -1.45 -0.09 0.00 2.34 0.00 0.00 41.12 42.13 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 16.86 -0.10 0.02 -1.67 0.00 -1.84 -3.30 119.26 129.23 1h4b h ALA 20 Ca -0.25 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.20 1h4b h ALA 20 Cb 1.28 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1h4b h ALA 20 CO 1.14 -0.38 -1.58 -2.95 0.00 0.00 0.00 179.25 175.48 1h4b h ASN 21 N -0.45 0.06 -0.13 0.00 -1.07 -1.91 -3.48 115.58 108.60 1h4b h ASN 21 Ca -0.01 -0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.25 1h4b h ASN 21 Cb 0.39 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.62 1h4b h ASN 21 CO 0.02 1.10 0.00 0.61 0.07 0.00 0.00 177.43 179.22 1h4b n GLY 22 N 1.56 1.28 0.59 9.14 0.00 -1.25 -4.97 105.19 111.54 1h4b n GLY 22 Ca -0.15 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 0.46 1.75 0.00 1.61 5.75 -1.26 -4.87 116.55 119.99 1h4b n ASP 23 Ca 0.00 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1h4b n ASP 23 Cb 0.13 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 1.12 0.96 3.09 6.12 0.00 -1.26 -5.03 105.19 110.19 1h4b n GLY 24 Ca 0.15 0.00 -0.20 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 -0.59 0.90 -0.11 1.61 -2.85 -1.26 -4.01 119.74 113.43 1h4b s LYS 25 Ca 0.00 -0.55 -0.00 0.00 -1.00 0.00 0.00 55.97 54.42 1h4b s LYS 25 Cb 0.00 -0.88 -0.02 0.00 -2.06 0.00 0.00 37.83 34.87 1h4b s LYS 25 CO 0.00 0.23 -0.08 0.42 0.10 0.00 0.00 175.35 176.02 1h4b s ILE 26 N -0.53 3.53 0.36 3.79 1.01 -0.40 -4.80 121.20 124.17 1h4b s ILE 26 Ca 0.03 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.24 1h4b s ILE 26 Cb -0.06 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1h4b s ILE 26 CO 0.00 0.55 0.29 -0.94 0.00 0.00 0.00 174.94 174.84 1h4b s SER 27 N -0.17 5.08 0.24 3.58 1.04 -1.26 -1.47 113.70 120.73 1h4b s SER 27 Ca 0.02 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 55.75 1h4b s SER 27 Cb -0.13 -0.79 0.45 0.00 0.10 0.00 0.00 66.02 65.64 1h4b s SER 27 CO 0.03 -0.44 1.70 0.00 0.98 0.00 0.00 173.24 175.50 1h4b h ALA 28 N 1.24 0.95 -0.95 5.32 0.00 -1.93 0.67 119.26 124.56 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 19.18 1h4b h ALA 28 CO 0.59 -0.31 0.62 0.00 0.00 0.00 0.00 179.25 180.15 1h4b h ALA 29 N 1.58 1.45 0.09 0.00 0.00 -1.96 2.09 119.26 122.52 1h4b h ALA 29 Ca 0.41 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1h4b h ALA 29 Cb 0.67 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1h4b h ALA 29 CO -0.48 0.42 -0.05 0.93 0.00 0.00 0.00 179.25 180.07 1h4b h GLU 30 N 1.12 -0.12 -0.66 0.00 5.08 -0.62 0.58 114.58 119.95 1h4b h GLU 30 Ca 0.41 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1h4b h GLU 30 Cb 0.16 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1h4b h GLU 30 CO -0.15 0.36 0.33 1.25 -1.00 0.00 0.00 179.01 179.80 1h4b h LEU 31 N -0.92 0.85 -0.31 1.33 5.85 0.29 -0.97 115.31 121.43 1h4b h LEU 31 Ca -0.01 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1h4b h LEU 31 Cb 0.54 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1h4b h LEU 31 CO 0.02 0.73 0.09 1.23 -0.34 0.00 0.00 178.44 180.17 1h4b h GLY 32 N 0.91 0.51 0.59 3.75 0.00 0.33 0.93 103.07 110.10 1h4b h GLY 32 Ca 0.23 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.32 1h4b h GLY 32 CO -0.03 0.29 0.35 0.83 0.00 0.00 0.00 176.54 177.98 1h4b h GLU 33 N 0.33 0.60 -0.11 4.80 4.39 -0.45 0.46 114.58 124.60 1h4b h GLU 33 Ca 0.10 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 59.53 1h4b h GLU 33 Cb 0.26 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1h4b h GLU 33 CO -0.00 0.40 -0.85 0.00 -1.16 0.00 0.00 179.01 177.40 1h4b h ALA 34 N 1.37 0.26 -0.04 3.43 0.00 -0.88 -2.99 119.26 120.41 1h4b h ALA 34 Ca 0.31 -0.63 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1h4b h ALA 34 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1h4b h ALA 34 CO -0.22 0.69 0.03 -0.07 0.00 0.00 0.00 179.25 179.68 1h4b h LEU 35 N 0.50 0.00 -1.32 0.00 3.38 0.20 -1.69 115.31 116.38 1h4b h LEU 35 Ca -0.07 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.08 1h4b h LEU 35 Cb 1.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 1h4b h LEU 35 CO 0.17 0.00 0.88 0.50 0.09 0.00 0.00 178.44 180.08 1h4b h LYS 36 N 0.00 0.00 -0.37 1.13 3.64 0.03 0.58 116.57 121.58 1h4b h LYS 36 Ca 0.02 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1h4b h LYS 36 Cb 0.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1h4b h LYS 36 CO -0.00 0.00 0.50 0.00 -2.27 0.00 0.00 179.45 177.68 1h4b h THR 37 N 0.00 0.26 -0.35 1.00 1.03 -1.50 0.15 112.91 113.49 1h4b h THR 37 Ca 0.31 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.69 1h4b h THR 37 Cb 2.06 0.58 -0.02 0.00 -1.07 0.00 0.00 68.15 69.71 1h4b h THR 37 CO -0.00 0.00 0.16 -0.07 -0.01 0.00 0.00 175.52 175.60 1h4b h LEU 38 N 0.00 0.46 0.00 0.00 3.38 -0.07 -3.46 115.31 115.62 1h4b h LEU 38 Ca 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1h4b h LEU 38 Cb 1.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1h4b h LEU 38 CO -0.00 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.61 1h4b n GLY 39 N -0.84 2.32 2.63 0.83 0.00 0.51 -4.77 105.19 105.86 1h4b n GLY 39 Ca -0.01 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1h4b n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h4b n SER 40 N 1.05 5.12 -4.40 1.61 3.41 -1.26 -5.03 113.62 114.12 1h4b n SER 40 Ca 0.00 -3.73 -0.20 0.00 -0.26 0.00 0.00 58.87 54.68 1h4b n SER 40 Cb 0.00 -0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 63.27 1h4b n SER 40 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1h4b s ILE 41 N -5.24 1.56 0.32 -1.33 1.10 -1.26 -5.16 121.20 111.19 1h4b s ILE 41 Ca 0.48 -2.12 0.10 0.00 -0.51 0.00 0.00 60.65 58.60 1h4b s ILE 41 Cb 0.37 -2.38 -0.06 0.00 0.15 0.00 0.00 42.46 40.55 1h4b s ILE 41 CO -0.21 -0.34 -0.06 0.42 -2.11 0.00 0.00 174.94 172.64 1h4b s THR 42 N -3.07 2.56 0.28 4.00 -4.23 -1.26 -5.03 115.64 108.89 1h4b s THR 42 Ca 0.28 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1h4b s THR 42 Cb 0.04 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.27 1h4b s THR 42 CO 0.11 -0.26 1.70 1.55 -0.54 0.00 0.00 174.62 177.18 1h4b h PRO 43 N 1.97 0.42 0.00 3.99 0.13 -2.00 -2.57 132.00 133.94 1h4b h PRO 43 Ca -0.42 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1h4b h PRO 43 Cb 1.25 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1h4b h PRO 43 CO 0.66 0.69 -0.01 0.22 -0.23 0.00 0.00 178.00 179.33 1h4b h ASP 44 N 0.36 0.00 0.21 1.44 1.82 -1.99 -1.94 116.42 116.32 1h4b h ASP 44 Ca 0.05 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.36 1h4b h ASP 44 Cb 0.74 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.77 1h4b h ASP 44 CO 0.06 0.01 -1.56 -0.33 -1.61 0.00 0.00 179.24 175.80 1h4b h GLU 45 N 0.00 0.44 -0.47 0.28 4.39 -1.87 -2.56 114.58 114.78 1h4b h GLU 45 Ca -0.00 -0.74 -0.07 0.00 0.34 0.00 0.00 59.36 58.88 1h4b h GLU 45 Cb 0.47 0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1h4b h GLU 45 CO 0.00 1.36 -0.00 0.28 -1.16 0.00 0.00 179.01 179.48 1h4b h VAL 46 N 0.06 1.24 -0.47 3.13 2.07 -1.36 0.03 116.25 120.94 1h4b h VAL 46 Ca -0.30 -1.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.09 1h4b h VAL 46 Cb 2.07 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1h4b h VAL 46 CO 0.20 0.35 -0.23 0.11 0.02 0.00 0.00 177.57 178.02 1h4b h LYS 47 N 0.73 0.98 -0.61 1.57 1.57 -1.43 -2.23 116.57 117.15 1h4b h LYS 47 Ca 0.14 -0.42 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1h4b h LYS 47 Cb 0.45 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1h4b h LYS 47 CO 0.02 1.10 0.01 1.25 -0.57 0.00 0.00 179.45 181.25 1h4b h HIS 48 N 0.84 1.16 -0.54 -1.35 2.76 -1.01 -1.27 115.15 115.73 1h4b h HIS 48 Ca 0.10 -0.20 0.01 0.00 -2.20 0.00 0.00 60.37 58.09 1h4b h HIS 48 Cb 0.81 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 1h4b h HIS 48 CO 0.05 1.02 0.35 0.52 -1.30 0.00 0.00 177.93 178.57 1h4b h MET 49 N 0.97 0.68 -0.22 5.26 2.86 -0.80 -1.28 114.93 122.39 1h4b h MET 49 Ca 0.17 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1h4b h MET 49 Cb 0.55 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1h4b h MET 49 CO 0.03 0.45 0.11 0.52 1.06 0.00 0.00 176.91 179.07 1h4b h MET 50 N 0.70 0.32 -0.00 1.72 2.07 -1.12 0.66 114.93 119.28 1h4b h MET 50 Ca 0.21 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.79 1h4b h MET 50 Cb -0.04 -0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 29.63 1h4b h MET 50 CO -0.07 0.34 0.09 0.00 1.07 0.00 0.00 176.91 178.34 1h4b h ALA 51 N 0.96 1.10 0.03 6.32 0.00 -0.73 1.74 119.26 128.68 1h4b h ALA 51 Ca 0.08 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.63 1h4b h ALA 51 Cb 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1h4b h ALA 51 CO -0.01 -0.09 -2.16 0.39 0.00 0.00 0.00 179.25 177.38 1h4b n GLU 52 N -3.04 0.69 0.05 0.00 1.02 -0.32 -4.28 120.64 114.75 1h4b n GLU 52 Ca -0.03 0.18 -0.09 0.00 -0.02 0.00 0.00 57.16 57.20 1h4b n GLU 52 Cb 0.15 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 29.82 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 0.02 1.52 -1.73 -3.67 2.04 0.17 -3.43 117.51 112.42 1h4b h ILE 53 Ca -0.47 -3.23 -0.48 0.00 1.00 0.00 0.00 64.86 61.69 1h4b h ILE 53 Cb 2.04 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 40.91 1h4b h ILE 53 CO 0.02 0.88 1.57 -0.62 0.00 0.00 0.00 178.15 180.00 1h4b s ASP 54 N -6.69 4.68 0.10 1.72 2.15 0.58 -4.81 116.67 114.41 1h4b s ASP 54 Ca -0.01 1.03 -0.15 0.00 0.43 0.00 0.00 52.55 53.84 1h4b s ASP 54 Cb 0.09 -2.51 -0.07 0.00 -0.30 0.00 0.00 42.92 40.14 1h4b s ASP 54 CO 0.83 -2.70 1.47 0.71 -0.17 0.00 0.00 175.17 175.31 1h4b h THR 55 N 7.50 1.29 0.04 1.71 1.35 -1.86 -3.34 112.91 119.60 1h4b h THR 55 Ca -0.26 -1.27 -0.27 0.00 -0.55 0.00 0.00 66.41 64.06 1h4b h THR 55 Cb 1.25 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 69.09 1h4b h THR 55 CO 1.15 0.41 -1.49 -2.24 -0.25 0.00 0.00 175.52 173.10 1h4b h ASP 56 N 0.42 0.14 0.00 5.36 2.03 -1.92 -3.49 116.42 118.95 1h4b h ASP 56 Ca 0.07 -0.65 0.00 0.00 -0.73 0.00 0.00 57.03 55.72 1h4b h ASP 56 Cb 0.69 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1h4b h ASP 56 CO 0.05 1.61 0.00 0.61 -1.03 0.00 0.00 179.24 180.47 1h4b n GLY 57 N 1.61 1.83 0.06 7.15 0.00 -1.25 -4.99 105.19 109.59 1h4b n GLY 57 Ca -0.32 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 0.26 0.00 1.61 5.75 -1.26 -4.86 116.55 118.05 1h4b n ASP 58 Ca 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 54.79 54.40 1h4b n ASP 58 Cb 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 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 1.28 0.49 3.06 6.12 0.00 -1.26 -5.06 105.19 109.82 1h4b n GLY 59 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 0.49 -0.16 1.61 0.08 -1.26 -4.44 117.98 112.29 1h4b s PHE 60 Ca 0.00 -0.84 -0.04 0.00 0.12 0.00 0.00 56.93 56.17 1h4b s PHE 60 Cb 0.00 -0.34 -0.03 0.00 -0.57 0.00 0.00 43.02 42.08 1h4b s PHE 60 CO 0.00 -0.27 -0.03 0.42 -0.10 0.00 0.00 175.22 175.23 1h4b s ILE 61 N -2.92 3.89 0.41 0.64 -1.09 -0.54 -4.79 121.20 116.80 1h4b s ILE 61 Ca -0.01 -0.36 0.05 0.00 -2.23 0.00 0.00 60.65 58.11 1h4b s ILE 61 Cb 0.01 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1h4b s ILE 61 CO -0.06 0.49 0.57 -0.94 -1.23 0.00 0.00 174.94 173.77 1h4b s SER 62 N 0.44 5.75 0.25 3.58 1.04 -1.26 -1.27 113.70 122.24 1h4b s SER 62 Ca -0.03 -0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.20 1h4b s SER 62 Cb -0.14 -1.04 0.47 0.00 0.10 0.00 0.00 66.02 65.41 1h4b s SER 62 CO 0.03 -0.68 1.78 0.15 0.98 0.00 0.00 173.24 175.50 1h4b h PHE 63 N 0.63 0.78 0.04 5.02 3.57 -1.97 0.41 116.94 125.41 1h4b h PHE 63 Ca -0.43 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1h4b h PHE 63 Cb 1.27 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1h4b h PHE 63 CO 0.41 0.24 -0.04 0.37 -2.23 0.00 0.00 178.31 177.06 1h4b h GLN 64 N 0.67 -0.08 -0.36 1.11 5.75 -1.93 0.94 115.11 121.20 1h4b h GLN 64 Ca 0.43 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.94 1h4b h GLN 64 Cb 0.53 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 1h4b h GLN 64 CO -0.32 -0.06 0.23 0.93 -2.65 0.00 0.00 178.83 176.97 1h4b h GLU 65 N -0.09 0.48 -0.41 1.69 5.08 -1.51 0.95 114.58 120.77 1h4b h GLU 65 Ca 0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1h4b h GLU 65 Cb 0.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1h4b h GLU 65 CO -0.01 0.33 -0.00 0.35 -1.00 0.00 0.00 179.01 178.67 1h4b h PHE 66 N 0.48 0.70 -0.06 4.33 3.57 0.13 -0.85 116.94 125.24 1h4b h PHE 66 Ca 0.13 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1h4b h PHE 66 Cb -0.04 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 1h4b h PHE 66 CO -0.05 0.66 -0.01 1.15 -2.23 0.00 0.00 178.31 177.83 1h4b h THR 67 N 0.63 1.30 -0.54 4.41 2.02 0.16 0.44 112.91 121.33 1h4b h THR 67 Ca 0.13 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1h4b h THR 67 Cb 0.40 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 1h4b h THR 67 CO 0.02 0.25 0.23 0.44 0.37 0.00 0.00 175.52 176.83 1h4b h ASP 68 N -0.24 0.69 -0.05 4.18 3.32 -0.66 -1.92 116.42 121.73 1h4b h ASP 68 Ca 0.01 -0.07 -0.24 0.00 0.02 0.00 0.00 57.03 56.75 1h4b h ASP 68 Cb 0.41 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.80 1h4b h ASP 68 CO 0.01 0.60 -0.90 0.15 -1.72 0.00 0.00 179.24 177.38 1h4b h PHE 69 N 0.76 1.03 -0.06 4.55 3.04 -1.00 -3.02 116.94 122.23 1h4b h PHE 69 Ca 0.19 -0.50 0.02 0.00 3.98 0.00 0.00 57.97 61.65 1h4b h PHE 69 Cb 0.12 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.49 1h4b h PHE 69 CO 0.01 1.34 0.05 0.78 -2.02 0.00 0.00 178.31 178.46 1h4b h GLY 70 N 0.55 0.00 1.81 2.40 0.00 0.43 -0.16 103.07 108.10 1h4b h GLY 70 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 1h4b h GLY 70 CO 0.18 0.00 -0.59 3.21 0.00 0.00 0.00 176.54 179.33 1h4b h ARG 71 N 0.00 0.20 0.00 4.80 3.08 -1.24 -1.17 114.38 120.04 1h4b h ARG 71 Ca 0.03 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1h4b h ARG 71 Cb 0.12 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1h4b h ARG 71 CO -0.00 0.73 -0.06 0.00 -1.07 0.00 0.00 179.97 179.58 1h4b h ALA 72 N 1.24 1.02 -1.91 0.04 0.00 -1.00 -3.30 119.26 115.35 1h4b h ALA 72 Ca -0.01 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.38 1h4b h ALA 72 Cb 1.09 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.48 1h4b h ALA 72 CO 0.09 0.07 -1.16 0.09 0.00 0.00 0.00 179.25 178.34 1h4b n ASN 73 N -3.18 0.62 -0.29 0.00 3.02 -1.00 -4.94 115.26 109.49 1h4b n ASN 73 Ca 0.00 -3.01 0.06 0.00 -0.03 0.00 0.00 54.58 51.60 1h4b n ASN 73 Cb 0.33 -0.51 0.21 0.00 -0.61 0.00 0.00 39.78 39.20 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 3.10 0.60 -0.12 3.52 3.08 -1.31 0.79 114.38 124.04 1h4b h ARG 74 Ca 0.09 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1h4b h ARG 74 Cb 0.97 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1h4b h ARG 74 CO 0.48 0.40 0.27 0.78 -1.07 0.00 0.00 179.97 180.82 1h4b h GLY 75 N 0.62 0.00 0.81 0.04 0.00 -1.92 -0.16 103.07 102.46 1h4b h GLY 75 Ca 0.44 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.55 1h4b h GLY 75 CO -0.35 0.00 -0.96 1.41 0.00 0.00 0.00 176.54 176.65 1h4b h LEU 76 N 0.00 0.55 -1.22 3.11 3.38 0.27 -2.66 115.31 118.74 1h4b h LEU 76 Ca 0.06 -0.95 -0.01 0.00 0.09 0.00 0.00 57.88 57.07 1h4b h LEU 76 Cb 0.59 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1h4b h LEU 76 CO -0.00 1.46 0.36 -0.07 0.09 0.00 0.00 178.44 180.28 1h4b h LEU 77 N -0.26 0.80 -0.68 1.67 -0.00 -0.76 0.52 115.31 116.60 1h4b h LEU 77 Ca -0.17 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.88 57.54 1h4b h LEU 77 Cb 1.76 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 42.20 1h4b h LEU 77 CO 0.18 0.64 -0.56 0.11 -0.00 0.00 0.00 178.44 178.81 1h4b h LYS 78 N 0.91 0.00 0.12 1.13 1.57 -1.43 0.47 116.57 119.34 1h4b h LYS 78 Ca 0.23 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.85 1h4b h LYS 78 Cb 0.02 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.34 1h4b h LYS 78 CO -0.04 0.56 -0.72 0.22 -0.57 0.00 0.00 179.45 178.90 1h4b h ASP 79 N 0.00 0.40 -0.40 0.86 3.58 -0.84 -3.18 116.42 116.83 1h4b h ASP 79 Ca -0.01 -0.96 -0.12 0.00 0.42 0.00 0.00 57.03 56.37 1h4b h ASP 79 Cb 1.12 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 1h4b h ASP 79 CO 0.07 1.35 -0.22 0.58 -2.88 0.00 0.00 179.24 178.14 1h4b h VAL 80 N -0.46 1.28 -0.61 2.25 2.07 -0.03 -3.02 116.25 117.73 1h4b h VAL 80 Ca -0.13 -1.37 0.12 0.00 0.82 0.00 0.00 66.70 66.14 1h4b h VAL 80 Cb 1.56 1.29 -0.09 0.00 -1.52 0.00 0.00 31.29 32.52 1h4b h VAL 80 CO 0.13 0.46 0.12 0.00 0.02 0.00 0.00 177.57 178.29 1h4b h ALA 81 N 0.81 0.71 -0.03 1.67 0.00 -1.01 0.46 119.26 121.87 1h4b h ALA 81 Ca 0.09 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1h4b h ALA 81 Cb 0.79 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1h4b h ALA 81 CO 0.06 -0.32 0.03 0.87 0.00 0.00 0.00 179.25 179.89 1h4b h LYS 82 N 0.24 0.00 -0.35 0.00 1.57 -1.51 -0.86 116.57 115.67 1h4b h LYS 82 Ca 0.32 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.01 1h4b h LYS 82 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1h4b h LYS 82 CO -0.42 0.00 -0.17 0.82 -0.57 0.00 0.00 179.45 179.11 1h4b h ILE 83 N 0.00 1.26 -0.02 1.86 2.04 0.01 -3.52 117.51 119.13 1h4b h ILE 83 Ca 0.02 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1h4b h ILE 83 Cb 0.07 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1h4b h ILE 83 CO -0.00 0.39 0.00 0.49 0.00 0.00 0.00 178.15 179.03