#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 -3.63 0.00 3.32 -2.11 -3.45 116.42 110.55 1h4b h ASP 2 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1h4b h ASP 2 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1h4b h ASP 2 CO 0.00 0.03 0.64 0.47 -1.72 0.00 0.00 179.24 178.65 1h4b n ASP 3 N -3.08 3.25 -4.30 6.45 8.00 -1.26 -5.00 116.55 120.61 1h4b n ASP 3 Ca 0.04 1.21 -0.16 0.00 0.71 0.00 0.00 54.79 56.59 1h4b n ASP 3 Cb 0.54 -1.55 -0.10 0.00 -0.02 0.00 0.00 41.12 39.99 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 -1.12 1.44 0.27 1.24 -3.43 -1.26 -5.02 115.29 107.40 1h4b s HIS 4 Ca 0.55 -0.98 0.32 0.00 -0.80 0.00 0.00 55.06 54.14 1h4b s HIS 4 Cb -0.52 -0.83 1.45 0.00 -1.43 0.00 0.00 32.58 31.25 1h4b s HIS 4 CO 0.63 -0.13 2.03 -1.00 -2.00 0.00 0.00 174.74 174.26 1h4b h PRO 5 N 2.54 0.00 -0.83 -0.38 0.13 -2.02 -2.85 132.00 128.58 1h4b h PRO 5 Ca -0.38 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1h4b h PRO 5 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1h4b h PRO 5 CO 0.63 0.08 0.54 1.96 -0.23 0.00 0.00 178.00 180.98 1h4b h GLN 6 N 0.00 1.03 0.08 0.86 4.20 -2.00 -2.66 115.11 116.62 1h4b h GLN 6 Ca -0.00 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.67 1h4b h GLN 6 Cb 0.45 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 1h4b h GLN 6 CO 0.01 0.68 -0.34 -0.44 -0.67 0.00 0.00 178.83 178.07 1h4b h ASP 7 N 1.06 -1.01 -1.16 1.46 3.32 -1.93 -0.12 116.42 118.05 1h4b h ASP 7 Ca 0.33 0.12 0.38 0.00 0.02 0.00 0.00 57.03 57.88 1h4b h ASP 7 Cb -0.01 0.39 -0.13 0.00 0.22 0.00 0.00 39.33 39.79 1h4b h ASP 7 CO -0.11 -0.42 0.72 0.11 -1.72 0.00 0.00 179.24 177.82 1h4b h LYS 8 N -0.55 0.18 -0.39 3.56 1.57 -1.62 0.93 116.57 120.26 1h4b h LYS 8 Ca 0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1h4b h LYS 8 Cb 0.60 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1h4b h LYS 8 CO -0.23 0.12 0.24 0.00 -0.57 0.00 0.00 179.45 179.02 1h4b h ALA 9 N 1.71 0.49 -0.26 3.86 0.00 -0.94 0.87 119.26 124.99 1h4b h ALA 9 Ca 0.76 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.50 1h4b h ALA 9 Cb 2.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1h4b h ALA 9 CO -0.48 -0.03 -0.37 0.93 0.00 0.00 0.00 179.25 179.31 1h4b h GLU 10 N 0.52 0.57 -0.35 0.00 5.08 0.97 -0.89 114.58 120.48 1h4b h GLU 10 Ca 0.14 -0.27 -0.16 0.00 -1.00 0.00 0.00 59.36 58.07 1h4b h GLU 10 Cb -0.02 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1h4b h GLU 10 CO -0.03 0.85 -0.40 0.00 -1.00 0.00 0.00 179.01 178.43 1h4b h ARG 11 N 0.48 0.89 -0.48 2.33 3.08 -0.13 -0.95 114.38 119.60 1h4b h ARG 11 Ca 0.05 -0.49 -0.09 0.00 0.07 0.00 0.00 59.98 59.52 1h4b h ARG 11 Cb 0.86 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1h4b h ARG 11 CO 0.07 1.14 -0.04 0.93 -1.07 0.00 0.00 179.97 181.01 1h4b h GLU 12 N 0.70 0.87 -0.52 0.04 5.08 0.91 0.31 114.58 121.96 1h4b h GLU 12 Ca 0.05 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 1h4b h GLU 12 Cb 1.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1h4b h GLU 12 CO 0.10 0.93 -0.03 0.00 -1.00 0.00 0.00 179.01 179.01 1h4b h ARG 13 N 0.72 0.94 -0.23 2.33 3.08 -1.09 0.19 114.38 120.32 1h4b h ARG 13 Ca 0.13 -0.31 -0.10 0.00 0.07 0.00 0.00 59.98 59.77 1h4b h ARG 13 Cb 0.56 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1h4b h ARG 13 CO 0.03 0.97 -0.25 0.82 -1.07 0.00 0.00 179.97 180.47 1h4b h ILE 14 N 0.81 1.32 -0.44 2.04 2.04 -1.00 -2.11 117.51 120.16 1h4b h ILE 14 Ca 0.14 -1.43 -0.06 0.00 1.00 0.00 0.00 64.86 64.52 1h4b h ILE 14 Cb 0.56 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1h4b h ILE 14 CO 0.03 0.44 0.03 0.15 0.00 0.00 0.00 178.15 178.81 1h4b h PHE 15 N 0.26 0.72 -0.03 1.37 3.57 -0.26 -1.70 116.94 120.88 1h4b h PHE 15 Ca 0.03 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 1h4b h PHE 15 Cb 0.81 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1h4b h PHE 15 CO 0.08 0.67 -0.31 0.87 -2.23 0.00 0.00 178.31 177.39 1h4b h LYS 16 N 0.66 0.05 -0.29 1.11 1.57 -0.47 -1.91 116.57 117.29 1h4b h LYS 16 Ca 0.14 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 1h4b h LYS 16 Cb 0.36 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1h4b h LYS 16 CO 0.01 0.35 -0.38 0.00 -0.57 0.00 0.00 179.45 178.87 1h4b h ARG 17 N 0.04 0.67 0.04 3.15 3.08 -0.62 -3.20 114.38 117.55 1h4b h ARG 17 Ca 0.00 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 1h4b h ARG 17 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1h4b h ARG 17 CO 0.04 0.94 -0.02 0.74 -1.07 0.00 0.00 179.97 180.60 1h4b h PHE 18 N 0.55 -0.06 -1.33 3.04 0.04 -1.04 -3.41 116.94 114.74 1h4b h PHE 18 Ca 0.05 -0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.29 1h4b h PHE 18 Cb 0.90 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 1h4b h PHE 18 CO 0.04 0.40 1.60 -3.47 -0.60 0.00 0.00 178.31 176.27 1h4b n ASP 19 N -4.90 2.13 0.05 2.17 2.03 -0.76 -4.48 116.55 112.79 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 0.25 -1.42 -0.09 0.00 -0.72 0.00 0.00 41.12 39.13 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 16.47 -0.13 0.00 -1.67 0.00 -1.84 -3.30 119.26 128.80 1h4b h ALA 20 Ca -0.24 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 1h4b h ALA 20 Cb 1.28 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1h4b h ALA 20 CO 1.14 -0.38 -1.34 -2.95 0.00 0.00 0.00 179.25 175.72 1h4b h ASN 21 N -0.51 0.00 -0.40 0.00 -1.07 -1.91 -3.48 115.58 108.20 1h4b h ASN 21 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.36 1h4b h ASN 21 Cb 0.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 1h4b h ASN 21 CO 0.02 0.76 0.00 0.61 0.07 0.00 0.00 177.43 178.89 1h4b n GLY 22 N 1.42 1.02 0.82 9.14 0.00 -1.24 -4.97 105.19 111.38 1h4b n GLY 22 Ca -0.09 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 0.78 2.42 0.00 1.61 5.75 -1.26 -4.89 116.55 120.96 1h4b n ASP 23 Ca 0.00 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1h4b n ASP 23 Cb 0.24 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 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 1.27 1.01 3.12 6.12 0.00 -1.26 -5.03 105.19 110.42 1h4b n GLY 24 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.63 1.06 -0.11 1.61 -2.85 -1.26 -3.85 119.74 113.72 1h4b s LYS 25 Ca 0.00 -0.57 -0.00 0.00 -1.00 0.00 0.00 55.97 54.40 1h4b s LYS 25 Cb 0.00 -1.04 -0.02 0.00 -2.06 0.00 0.00 37.83 34.70 1h4b s LYS 25 CO 0.00 0.28 -0.09 0.42 0.10 0.00 0.00 175.35 176.06 1h4b s ILE 26 N -0.47 3.44 0.36 3.79 1.01 -0.27 -4.80 121.20 124.25 1h4b s ILE 26 Ca 0.04 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1h4b s ILE 26 Cb -0.06 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 1h4b s ILE 26 CO 0.00 0.54 0.33 -0.94 0.00 0.00 0.00 174.94 174.87 1h4b s SER 27 N -0.10 5.28 0.24 3.58 1.04 -1.26 -1.55 113.70 120.93 1h4b s SER 27 Ca -0.00 -0.53 -0.05 0.00 0.48 0.00 0.00 55.95 55.85 1h4b s SER 27 Cb -0.13 -0.89 0.46 0.00 0.10 0.00 0.00 66.02 65.56 1h4b s SER 27 CO 0.03 -0.43 1.70 0.00 0.98 0.00 0.00 173.24 175.52 1h4b h ALA 28 N 1.17 1.00 -0.97 5.32 0.00 -1.92 0.57 119.26 124.41 1h4b h ALA 28 Ca -0.44 0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1h4b h ALA 28 Cb 1.26 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1h4b h ALA 28 CO 0.57 -0.29 0.63 0.00 0.00 0.00 0.00 179.25 180.16 1h4b h ALA 29 N 1.59 1.42 0.11 0.00 0.00 -1.96 1.73 119.26 122.14 1h4b h ALA 29 Ca 0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1h4b h ALA 29 Cb 0.68 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1h4b h ALA 29 CO -0.47 0.46 -0.05 0.93 0.00 0.00 0.00 179.25 180.11 1h4b h GLU 30 N 1.16 -0.15 -0.60 0.00 5.08 -0.64 -0.06 114.58 119.38 1h4b h GLU 30 Ca 0.41 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1h4b h GLU 30 Cb 0.12 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1h4b h GLU 30 CO -0.15 0.33 0.32 1.25 -1.00 0.00 0.00 179.01 179.76 1h4b h LEU 31 N -0.89 0.75 -0.46 1.33 5.85 0.10 -1.16 115.31 120.83 1h4b h LEU 31 Ca -0.02 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1h4b h LEU 31 Cb 0.54 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1h4b h LEU 31 CO 0.03 0.64 0.21 1.23 -0.34 0.00 0.00 178.44 180.20 1h4b h GLY 32 N 0.81 0.72 0.89 3.75 0.00 0.25 0.44 103.07 109.93 1h4b h GLY 32 Ca 0.21 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.20 1h4b h GLY 32 CO -0.03 0.35 0.48 0.83 0.00 0.00 0.00 176.54 178.17 1h4b h GLU 33 N 0.60 0.91 -0.19 4.80 5.08 -0.54 0.23 114.58 125.46 1h4b h GLU 33 Ca 0.16 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 1h4b h GLU 33 Cb 0.15 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1h4b h GLU 33 CO -0.02 0.60 -0.69 0.00 -1.00 0.00 0.00 179.01 177.90 1h4b h ALA 34 N 1.31 0.34 -0.11 3.43 0.00 -0.87 -2.90 119.26 120.46 1h4b h ALA 34 Ca 0.30 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1h4b h ALA 34 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1h4b h ALA 34 CO -0.11 0.66 0.09 -0.07 0.00 0.00 0.00 179.25 179.83 1h4b h LEU 35 N 0.56 0.00 -1.47 0.00 3.38 0.56 -1.74 115.31 116.60 1h4b h LEU 35 Ca -0.03 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.22 1h4b h LEU 35 Cb 1.32 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 1h4b h LEU 35 CO 0.15 0.00 1.02 0.11 0.09 0.00 0.00 178.44 179.80 1h4b h LYS 36 N 0.00 0.00 -0.51 1.13 1.57 -0.76 0.82 116.57 118.83 1h4b h LYS 36 Ca 0.05 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.98 1h4b h LYS 36 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1h4b h LYS 36 CO -0.00 0.00 0.51 0.00 -0.57 0.00 0.00 179.45 179.39 1h4b h THR 37 N 0.00 0.38 -0.76 -0.16 1.03 -1.52 0.33 112.91 112.21 1h4b h THR 37 Ca 0.47 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.91 1h4b h THR 37 Cb 2.50 0.60 -0.04 0.00 -1.07 0.00 0.00 68.15 70.13 1h4b h THR 37 CO -0.00 0.00 0.50 -0.07 -0.01 0.00 0.00 175.52 175.94 1h4b h LEU 38 N 0.00 0.80 0.00 0.00 3.38 0.43 -3.45 115.31 116.46 1h4b h LEU 38 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1h4b h LEU 38 Cb 1.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1h4b h LEU 38 CO -0.00 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1h4b n GLY 39 N -1.43 2.12 2.52 0.83 0.00 0.12 -4.82 105.19 104.53 1h4b n GLY 39 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -1.07 -4.18 1.61 2.88 -1.26 -5.13 113.62 106.48 1h4b n SER 40 Ca 0.00 -3.41 -0.13 0.00 -1.33 0.00 0.00 58.87 54.00 1h4b n SER 40 Cb 0.00 0.90 -0.10 0.00 -0.75 0.00 0.00 64.21 64.26 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 -0.82 0.86 0.25 2.46 1.10 -1.26 -5.16 121.20 118.63 1h4b s ILE 41 Ca 0.29 -1.76 0.07 0.00 -0.51 0.00 0.00 60.65 58.74 1h4b s ILE 41 Cb 0.32 -1.48 -0.04 0.00 0.15 0.00 0.00 42.46 41.41 1h4b s ILE 41 CO -0.06 -0.68 0.19 0.42 -2.11 0.00 0.00 174.94 172.70 1h4b s THR 42 N -2.89 4.41 0.33 4.00 -4.23 -1.26 -5.01 115.64 110.98 1h4b s THR 42 Ca 0.08 -1.42 0.08 0.00 -1.18 0.00 0.00 61.69 59.25 1h4b s THR 42 Cb 0.00 -3.38 0.07 0.00 1.34 0.00 0.00 72.50 70.53 1h4b s THR 42 CO -0.01 -0.35 1.76 1.55 -0.54 0.00 0.00 174.62 177.03 1h4b h PRO 43 N 1.51 0.20 0.00 3.99 0.13 -2.00 -2.40 132.00 133.42 1h4b h PRO 43 Ca -0.48 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1h4b h PRO 43 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1h4b h PRO 43 CO 0.61 0.53 0.00 -0.44 -0.23 0.00 0.00 178.00 178.47 1h4b h ASP 44 N 0.18 0.00 0.42 1.44 3.32 -1.99 -2.53 116.42 117.26 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 0.70 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.27 1h4b h ASP 44 CO 0.05 0.00 -1.42 -0.33 -1.72 0.00 0.00 179.24 175.82 1h4b h GLU 45 N 0.00 0.39 -0.29 3.56 4.39 -1.83 -2.81 114.58 117.99 1h4b h GLU 45 Ca 0.00 -0.67 -0.11 0.00 0.34 0.00 0.00 59.36 58.91 1h4b h GLU 45 Cb 0.54 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1h4b h GLU 45 CO 0.00 1.31 -0.30 0.28 -1.16 0.00 0.00 179.01 179.14 1h4b h VAL 46 N 0.11 1.28 -0.65 3.13 2.07 -1.45 -1.46 116.25 119.28 1h4b h VAL 46 Ca -0.22 -1.40 -0.08 0.00 0.82 0.00 0.00 66.70 65.83 1h4b h VAL 46 Cb 2.07 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 1h4b h VAL 46 CO 0.23 0.45 0.10 0.11 0.02 0.00 0.00 177.57 178.48 1h4b h LYS 47 N 0.51 1.08 -0.48 1.57 1.57 -1.50 -1.50 116.57 117.82 1h4b h LYS 47 Ca 0.06 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1h4b h LYS 47 Cb 0.77 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1h4b h LYS 47 CO 0.06 1.00 0.01 1.25 -0.57 0.00 0.00 179.45 181.20 1h4b h HIS 48 N 1.00 0.91 -0.60 -1.35 2.76 -1.21 -1.17 115.15 115.49 1h4b h HIS 48 Ca 0.20 -0.15 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1h4b h HIS 48 Cb 0.44 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 1h4b h HIS 48 CO 0.03 0.86 0.36 0.52 -1.30 0.00 0.00 177.93 178.40 1h4b h MET 49 N 0.70 0.69 -0.30 5.26 2.86 -0.96 -1.51 114.93 121.66 1h4b h MET 49 Ca 0.14 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1h4b h MET 49 Cb 0.49 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1h4b h MET 49 CO 0.02 0.45 0.16 0.52 1.06 0.00 0.00 176.91 179.13 1h4b h MET 50 N 0.71 0.42 -0.03 1.72 2.07 -0.99 0.79 114.93 119.61 1h4b h MET 50 Ca 0.24 -0.05 0.01 0.00 -2.07 0.00 0.00 59.70 57.83 1h4b h MET 50 Cb 0.04 -0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 29.69 1h4b h MET 50 CO -0.11 0.36 0.12 0.00 1.07 0.00 0.00 176.91 178.35 1h4b h ALA 51 N 1.03 1.26 0.03 6.32 0.00 -0.53 1.83 119.26 129.21 1h4b h ALA 51 Ca 0.10 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.65 1h4b h ALA 51 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1h4b h ALA 51 CO -0.02 -0.13 -2.21 0.39 0.00 0.00 0.00 179.25 177.28 1h4b n GLU 52 N -3.22 0.69 0.07 0.00 1.02 -0.22 -4.31 120.64 114.67 1h4b n GLU 52 Ca -0.02 0.17 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 1h4b n GLU 52 Cb 0.19 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 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 1.58 -1.72 -3.67 2.04 0.17 -3.43 117.51 112.51 1h4b h ILE 53 Ca -0.49 -3.25 -0.48 0.00 1.00 0.00 0.00 64.86 61.65 1h4b h ILE 53 Cb 2.03 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 40.97 1h4b h ILE 53 CO 0.01 0.92 1.58 -0.62 0.00 0.00 0.00 178.15 180.05 1h4b s ASP 54 N -6.85 4.66 0.06 1.72 -1.08 0.61 -4.81 116.67 110.98 1h4b s ASP 54 Ca -0.01 1.08 -0.20 0.00 -0.52 0.00 0.00 52.55 52.90 1h4b s ASP 54 Cb 0.09 -2.51 -0.11 0.00 -1.46 0.00 0.00 42.92 38.93 1h4b s ASP 54 CO 0.84 -2.71 1.45 0.71 0.52 0.00 0.00 175.17 175.98 1h4b h THR 55 N 7.53 1.29 0.13 1.71 1.35 -1.86 -3.32 112.91 119.74 1h4b h THR 55 Ca -0.26 -1.03 -0.34 0.00 -0.55 0.00 0.00 66.41 64.23 1h4b h THR 55 Cb 1.25 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 1h4b h THR 55 CO 1.14 0.31 -1.78 -2.24 -0.25 0.00 0.00 175.52 172.70 1h4b h ASP 56 N 0.09 0.43 0.00 5.36 2.03 -1.92 -3.49 116.42 118.92 1h4b h ASP 56 Ca 0.05 -0.90 0.00 0.00 -0.73 0.00 0.00 57.03 55.45 1h4b h ASP 56 Cb 0.50 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1h4b h ASP 56 CO 0.02 1.78 0.00 0.61 -1.03 0.00 0.00 179.24 180.62 1h4b n GLY 57 N 1.88 1.96 0.02 7.15 0.00 -1.25 -4.98 105.19 109.97 1h4b n GLY 57 Ca -0.29 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 0.08 0.00 1.61 5.75 -1.26 -4.85 116.55 117.88 1h4b n ASP 58 Ca 0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 1h4b n ASP 58 Cb 0.00 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 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 1.14 0.34 3.11 6.12 0.00 -1.26 -5.06 105.19 109.58 1h4b n GLY 59 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.02 0.72 -0.15 1.61 0.08 -1.26 -4.43 117.98 112.52 1h4b s PHE 60 Ca 0.00 -0.82 -0.03 0.00 0.12 0.00 0.00 56.93 56.20 1h4b s PHE 60 Cb 0.00 -0.44 -0.03 0.00 -0.57 0.00 0.00 43.02 41.99 1h4b s PHE 60 CO 0.00 -0.18 -0.05 0.42 -0.10 0.00 0.00 175.22 175.31 1h4b s ILE 61 N -2.97 3.83 0.41 0.64 -1.09 -0.60 -4.79 121.20 116.62 1h4b s ILE 61 Ca 0.03 -0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.14 1h4b s ILE 61 Cb 0.01 -2.67 0.01 0.00 -1.58 0.00 0.00 42.46 38.23 1h4b s ILE 61 CO -0.04 0.50 0.56 -0.44 -1.23 0.00 0.00 174.94 174.29 1h4b s SER 62 N 0.31 5.73 0.23 3.58 0.01 -1.26 -1.12 113.70 121.18 1h4b s SER 62 Ca -0.04 -0.31 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 1h4b s SER 62 Cb -0.14 -0.86 0.34 0.00 0.21 0.00 0.00 66.02 65.58 1h4b s SER 62 CO 0.03 -0.69 1.78 0.15 0.41 0.00 0.00 173.24 174.92 1h4b h PHE 63 N 0.67 0.67 -0.30 2.43 3.57 -1.97 0.34 116.94 122.35 1h4b h PHE 63 Ca -0.42 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.13 1h4b h PHE 63 Cb 1.27 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 1h4b h PHE 63 CO 0.41 0.25 0.15 0.37 -2.23 0.00 0.00 178.31 177.26 1h4b h GLN 64 N 0.64 0.31 -0.28 1.11 5.75 -1.93 0.64 115.11 121.33 1h4b h GLN 64 Ca 0.36 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.82 1h4b h GLN 64 Cb 0.36 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1h4b h GLN 64 CO -0.26 0.20 0.12 0.93 -2.65 0.00 0.00 178.83 177.17 1h4b h GLU 65 N 0.31 0.42 -0.22 1.69 5.08 -1.55 -0.71 114.58 119.60 1h4b h GLU 65 Ca 0.12 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1h4b h GLU 65 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1h4b h GLU 65 CO -0.08 0.43 -0.06 0.35 -1.00 0.00 0.00 179.01 178.65 1h4b h PHE 66 N 0.31 0.35 -0.04 4.33 3.04 0.06 -1.47 116.94 123.53 1h4b h PHE 66 Ca 0.10 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1h4b h PHE 66 Cb 0.16 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.57 1h4b h PHE 66 CO -0.01 0.41 -0.01 1.15 -2.02 0.00 0.00 178.31 177.83 1h4b h THR 67 N 0.33 1.29 -0.66 4.41 2.02 0.87 1.12 112.91 122.29 1h4b h THR 67 Ca 0.07 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.38 1h4b h THR 67 Cb 0.32 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1h4b h THR 67 CO 0.01 0.24 0.44 -0.78 0.37 0.00 0.00 175.52 175.80 1h4b h ASP 68 N -0.28 0.74 0.22 4.18 3.58 -0.86 -1.39 116.42 122.62 1h4b h ASP 68 Ca 0.01 -0.02 -0.29 0.00 0.42 0.00 0.00 57.03 57.15 1h4b h ASP 68 Cb 0.39 -0.18 0.03 0.00 1.72 0.00 0.00 39.33 41.28 1h4b h ASP 68 CO 0.00 0.53 -1.24 0.15 -2.88 0.00 0.00 179.24 175.80 1h4b h PHE 69 N 0.87 0.91 -0.22 0.28 3.04 -1.06 -3.13 116.94 117.63 1h4b h PHE 69 Ca 0.25 -0.59 0.06 0.00 3.98 0.00 0.00 57.97 61.67 1h4b h PHE 69 Cb -0.07 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 1h4b h PHE 69 CO -0.00 1.43 0.17 0.78 -2.02 0.00 0.00 178.31 178.68 1h4b h GLY 70 N 0.53 0.00 1.84 2.40 0.00 0.21 0.20 103.07 108.25 1h4b h GLY 70 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 1h4b h GLY 70 CO 0.23 0.00 -0.52 3.21 0.00 0.00 0.00 176.54 179.46 1h4b h ARG 71 N 0.00 0.17 0.00 4.80 3.08 -1.23 0.96 114.38 122.17 1h4b h ARG 71 Ca 0.10 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1h4b h ARG 71 Cb 0.45 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1h4b h ARG 71 CO -0.00 0.66 -0.19 0.00 -1.07 0.00 0.00 179.97 179.36 1h4b h ALA 72 N 1.33 1.03 -1.79 0.04 0.00 -0.64 -3.31 119.26 115.93 1h4b h ALA 72 Ca 0.00 -0.17 -0.45 0.00 0.00 0.00 0.00 54.91 54.28 1h4b h ALA 72 Cb 0.97 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.33 1h4b h ALA 72 CO 0.08 0.24 -1.18 0.09 0.00 0.00 0.00 179.25 178.48 1h4b n ASN 73 N -3.37 0.86 -0.23 0.00 3.02 -0.94 -4.92 115.26 109.67 1h4b n ASN 73 Ca 0.00 -2.97 0.18 0.00 -0.03 0.00 0.00 54.58 51.76 1h4b n ASN 73 Cb 0.40 -0.55 0.50 0.00 -0.61 0.00 0.00 39.78 39.53 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 3.00 0.41 0.00 3.52 3.08 -0.92 0.82 114.38 124.29 1h4b h ARG 74 Ca 0.06 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1h4b h ARG 74 Cb 1.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1h4b h ARG 74 CO 0.49 0.27 -0.17 0.78 -1.07 0.00 0.00 179.97 180.27 1h4b h GLY 75 N 0.42 0.00 0.71 0.04 0.00 -1.91 -2.60 103.07 99.73 1h4b h GLY 75 Ca 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.70 1h4b h GLY 75 CO -0.16 0.00 -0.24 1.41 0.00 0.00 0.00 176.54 177.55 1h4b h LEU 76 N 0.00 0.39 -0.58 3.11 3.38 0.32 -0.80 115.31 121.13 1h4b h LEU 76 Ca -0.00 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 1h4b h LEU 76 Cb 0.53 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1h4b h LEU 76 CO 0.02 0.89 0.25 -0.07 0.09 0.00 0.00 178.44 179.63 1h4b h LEU 77 N -0.09 0.79 -1.08 1.67 -0.00 -1.32 0.18 115.31 115.46 1h4b h LEU 77 Ca 0.00 -0.15 -0.09 0.00 -0.00 0.00 0.00 57.88 57.63 1h4b h LEU 77 Cb 0.84 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.28 1h4b h LEU 77 CO 0.05 0.72 -0.39 0.07 -0.00 0.00 0.00 178.44 178.89 1h4b h LYS 78 N 0.80 0.12 -0.05 1.13 2.10 -1.48 0.43 116.57 119.63 1h4b h LYS 78 Ca 0.20 -0.05 -0.22 0.00 -2.00 0.00 0.00 60.65 58.57 1h4b h LYS 78 Cb 0.16 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1h4b h LYS 78 CO -0.02 0.50 -0.87 -0.44 -2.00 0.00 0.00 179.45 176.63 1h4b h ASP 79 N 0.11 0.64 0.54 7.07 3.32 -0.49 -3.18 116.42 124.43 1h4b h ASP 79 Ca 0.01 -0.47 -0.27 0.00 0.02 0.00 0.00 57.03 56.32 1h4b h ASP 79 Cb 0.75 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.12 1h4b h ASP 79 CO 0.06 1.25 -1.21 0.58 -1.72 0.00 0.00 179.24 178.19 1h4b h VAL 80 N 0.32 1.46 -0.84 -1.35 2.07 -0.39 -3.27 116.25 114.25 1h4b h VAL 80 Ca -0.07 -2.92 0.15 0.00 0.82 0.00 0.00 66.70 64.69 1h4b h VAL 80 Cb 1.49 2.86 -0.10 0.00 -1.52 0.00 0.00 31.29 34.02 1h4b h VAL 80 CO 0.16 0.86 0.42 0.00 0.02 0.00 0.00 177.57 179.02 1h4b h ALA 81 N 0.56 1.26 0.00 1.67 0.00 -0.16 0.32 119.26 122.91 1h4b h ALA 81 Ca -0.14 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1h4b h ALA 81 Cb 1.92 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1h4b h ALA 81 CO 0.20 -0.11 -0.28 0.87 0.00 0.00 0.00 179.25 179.93 1h4b h LYS 82 N 0.59 0.00 -0.38 0.00 1.79 -1.61 -2.97 116.57 113.99 1h4b h LYS 82 Ca 0.46 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.91 1h4b h LYS 82 Cb 0.67 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 1h4b h LYS 82 CO -0.37 0.28 0.14 0.82 -1.08 0.00 0.00 179.45 179.24 1h4b h ILE 83 N 0.00 1.20 -0.01 1.86 2.04 -0.41 -3.52 117.51 118.66 1h4b h ILE 83 Ca -0.00 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1h4b h ILE 83 Cb 0.68 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1h4b h ILE 83 CO 0.04 0.22 0.00 0.49 0.00 0.00 0.00 178.15 178.90