#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 0.32 -4.70 0.00 8.00 -1.26 -4.82 116.55 114.10 1h4b n ASP 2 Ca 0.00 -1.69 -0.42 0.00 0.71 0.00 0.00 54.79 53.39 1h4b n ASP 2 Cb 0.00 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1h4b n ASP 2 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1h4b s ASP 3 N -1.34 7.00 0.41 -2.24 1.01 -1.26 -5.02 116.67 115.23 1h4b s ASP 3 Ca 0.19 1.98 0.07 0.00 0.71 0.00 0.00 52.55 55.50 1h4b s ASP 3 Cb 0.09 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1h4b s ASP 3 CO 0.14 -0.59 0.25 -1.38 0.21 0.00 0.00 175.17 173.81 1h4b s HIS 4 N 1.85 2.64 0.27 4.23 -3.43 -1.26 -5.01 115.29 114.57 1h4b s HIS 4 Ca 0.59 -0.56 0.30 0.00 -0.80 0.00 0.00 55.06 54.59 1h4b s HIS 4 Cb -0.28 -2.03 1.36 0.00 -1.43 0.00 0.00 32.58 30.19 1h4b s HIS 4 CO 0.26 0.08 2.00 -1.00 -2.00 0.00 0.00 174.74 174.08 1h4b h PRO 5 N 1.29 0.00 -0.83 -0.38 0.13 -2.02 -2.80 132.00 127.39 1h4b h PRO 5 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1h4b h PRO 5 Cb 1.26 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1h4b h PRO 5 CO 0.66 0.11 0.40 1.96 -0.23 0.00 0.00 178.00 180.90 1h4b h GLN 6 N 0.00 1.20 -0.52 0.86 4.20 -2.01 -2.47 115.11 116.36 1h4b h GLN 6 Ca -0.00 -0.17 0.07 0.00 0.06 0.00 0.00 58.65 58.61 1h4b h GLN 6 Cb 0.48 -0.22 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 1h4b h GLN 6 CO 0.01 0.91 0.20 -0.44 -0.67 0.00 0.00 178.83 178.84 1h4b h ASP 7 N 1.19 0.21 -1.01 1.46 3.32 -1.90 0.15 116.42 119.82 1h4b h ASP 7 Ca 0.29 0.06 0.25 0.00 0.02 0.00 0.00 57.03 57.64 1h4b h ASP 7 Cb 0.11 0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.60 1h4b h ASP 7 CO -0.04 0.15 0.65 0.11 -1.72 0.00 0.00 179.24 178.38 1h4b h LYS 8 N 0.38 0.45 -0.47 3.56 1.57 -1.57 0.36 116.57 120.85 1h4b h LYS 8 Ca 0.25 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1h4b h LYS 8 Cb 0.26 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1h4b h LYS 8 CO -0.25 0.30 0.24 0.00 -0.57 0.00 0.00 179.45 179.18 1h4b h ALA 9 N 1.63 0.60 -0.47 3.86 0.00 -0.95 0.92 119.26 124.85 1h4b h ALA 9 Ca 0.58 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.39 1h4b h ALA 9 Cb 1.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1h4b h ALA 9 CO -0.31 -0.10 -0.15 0.93 0.00 0.00 0.00 179.25 179.62 1h4b h GLU 10 N 0.49 0.89 -0.46 0.00 5.08 -0.32 -0.87 114.58 119.39 1h4b h GLU 10 Ca 0.20 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 1h4b h GLU 10 Cb 0.09 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1h4b h GLU 10 CO -0.13 0.98 -0.11 0.00 -1.00 0.00 0.00 179.01 178.75 1h4b h ARG 11 N 0.79 0.89 -0.51 2.33 3.08 -0.02 -0.89 114.38 120.05 1h4b h ARG 11 Ca 0.12 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 1h4b h ARG 11 Cb 0.69 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1h4b h ARG 11 CO 0.05 0.98 0.10 0.93 -1.07 0.00 0.00 179.97 180.96 1h4b h GLU 12 N 0.73 0.84 -0.59 0.04 5.08 0.10 0.37 114.58 121.15 1h4b h GLU 12 Ca 0.12 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1h4b h GLU 12 Cb 0.65 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1h4b h GLU 12 CO 0.04 0.82 0.12 0.00 -1.00 0.00 0.00 179.01 178.99 1h4b h ARG 13 N 0.73 0.97 -0.16 2.33 3.08 -1.02 0.33 114.38 120.63 1h4b h ARG 13 Ca 0.16 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 1h4b h ARG 13 Cb 0.37 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1h4b h ARG 13 CO 0.01 0.91 -0.14 0.82 -1.07 0.00 0.00 179.97 180.49 1h4b h ILE 14 N 0.87 1.33 -0.44 2.04 2.04 -0.91 -2.16 117.51 120.29 1h4b h ILE 14 Ca 0.18 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 1h4b h ILE 14 Cb 0.39 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1h4b h ILE 14 CO 0.01 0.38 0.08 0.15 0.00 0.00 0.00 178.15 178.76 1h4b h PHE 15 N 0.03 0.68 -0.12 1.37 3.04 -0.10 -1.66 116.94 120.19 1h4b h PHE 15 Ca 0.03 -0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.85 1h4b h PHE 15 Cb 0.66 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1h4b h PHE 15 CO 0.08 0.61 -0.23 0.87 -2.02 0.00 0.00 178.31 177.61 1h4b h LYS 16 N 0.64 0.20 -0.12 1.11 1.57 -0.20 -1.63 116.57 118.15 1h4b h LYS 16 Ca 0.14 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 1h4b h LYS 16 Cb 0.29 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1h4b h LYS 16 CO 0.00 0.43 -0.52 0.00 -0.57 0.00 0.00 179.45 178.80 1h4b h ARG 17 N 0.19 0.33 -0.02 3.15 3.08 -0.64 -3.20 114.38 117.26 1h4b h ARG 17 Ca 0.03 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1h4b h ARG 17 Cb 0.52 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1h4b h ARG 17 CO 0.04 0.77 -0.05 0.74 -1.07 0.00 0.00 179.97 180.39 1h4b h PHE 18 N 0.26 0.10 -1.56 3.04 0.04 -0.95 -3.41 116.94 114.46 1h4b h PHE 18 Ca 0.01 -0.04 -0.52 0.00 2.80 0.00 0.00 57.97 60.23 1h4b h PHE 18 Cb 1.00 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 1h4b h PHE 18 CO 0.03 0.65 1.59 -3.47 -0.60 0.00 0.00 178.31 176.51 1h4b n ASP 19 N -4.73 2.42 0.08 2.17 2.03 -0.67 -4.44 116.55 113.41 1h4b n ASP 19 Ca -0.08 -0.20 -0.13 0.00 0.52 0.00 0.00 54.79 54.89 1h4b n ASP 19 Cb 0.33 -1.51 -0.08 0.00 -0.72 0.00 0.00 41.12 39.14 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 17.35 -0.21 0.00 -1.67 0.00 -1.84 -3.27 119.26 129.63 1h4b h ALA 20 Ca -0.28 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1h4b h ALA 20 Cb 1.27 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1h4b h ALA 20 CO 1.11 -0.46 -1.05 -2.95 0.00 0.00 0.00 179.25 175.90 1h4b h ASN 21 N -0.52 0.00 -0.86 0.00 -1.07 -1.91 -3.48 115.58 107.74 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 0.35 0.00 0.61 0.07 0.00 0.00 177.43 178.49 1h4b n GLY 22 N 1.28 0.90 0.97 9.14 0.00 -1.23 -4.96 105.19 111.29 1h4b n GLY 22 Ca -0.04 -0.50 0.11 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 0.89 2.90 0.00 1.61 5.75 -1.26 -4.90 116.55 121.54 1h4b n ASP 23 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 1h4b n ASP 23 Cb 0.38 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 1.39 0.71 3.12 6.12 0.00 -1.26 -5.04 105.19 110.23 1h4b n GLY 24 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.76 1.09 -0.10 1.61 -2.85 -1.26 -3.82 119.74 113.65 1h4b s LYS 25 Ca 0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 1h4b s LYS 25 Cb 0.00 -1.07 -0.02 0.00 -2.06 0.00 0.00 37.83 34.67 1h4b s LYS 25 CO 0.00 0.29 -0.11 0.42 0.10 0.00 0.00 175.35 176.05 1h4b s ILE 26 N -0.48 3.30 0.37 3.79 1.01 -0.37 -4.80 121.20 124.03 1h4b s ILE 26 Ca 0.05 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.17 1h4b s ILE 26 Cb -0.06 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1h4b s ILE 26 CO -0.00 0.55 0.34 -0.94 0.00 0.00 0.00 174.94 174.89 1h4b s SER 27 N -0.13 5.27 0.24 3.58 1.04 -1.26 -1.52 113.70 120.92 1h4b s SER 27 Ca -0.00 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 55.83 1h4b s SER 27 Cb -0.13 -0.84 0.46 0.00 0.10 0.00 0.00 66.02 65.61 1h4b s SER 27 CO 0.03 -0.48 1.70 0.00 0.98 0.00 0.00 173.24 175.48 1h4b h ALA 28 N 1.12 1.00 -0.94 5.32 0.00 -1.93 0.65 119.26 124.48 1h4b h ALA 28 Ca -0.43 0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1h4b h ALA 28 Cb 1.26 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 1h4b h ALA 28 CO 0.57 -0.30 0.62 0.00 0.00 0.00 0.00 179.25 180.14 1h4b h ALA 29 N 1.59 1.43 0.10 0.00 0.00 -1.96 2.06 119.26 122.48 1h4b h ALA 29 Ca 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1h4b h ALA 29 Cb 0.69 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1h4b h ALA 29 CO -0.47 0.46 -0.05 0.93 0.00 0.00 0.00 179.25 180.12 1h4b h GLU 30 N 1.14 -0.13 -0.63 0.00 5.08 -0.62 0.13 114.58 119.55 1h4b h GLU 30 Ca 0.39 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1h4b h GLU 30 Cb 0.09 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1h4b h GLU 30 CO -0.13 0.34 0.30 1.25 -1.00 0.00 0.00 179.01 179.77 1h4b h LEU 31 N -0.90 0.82 -0.41 1.33 5.85 0.24 -1.31 115.31 120.93 1h4b h LEU 31 Ca -0.01 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1h4b h LEU 31 Cb 0.54 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1h4b h LEU 31 CO 0.02 0.72 0.15 1.23 -0.34 0.00 0.00 178.44 180.22 1h4b h GLY 32 N 0.86 0.68 0.84 3.75 0.00 0.33 0.62 103.07 110.14 1h4b h GLY 32 Ca 0.22 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.20 1h4b h GLY 32 CO -0.03 0.36 0.51 0.83 0.00 0.00 0.00 176.54 178.22 1h4b h GLU 33 N 0.52 0.95 -0.08 4.80 5.08 -0.56 0.30 114.58 125.59 1h4b h GLU 33 Ca 0.14 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.20 1h4b h GLU 33 Cb 0.23 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1h4b h GLU 33 CO -0.01 0.63 -0.86 0.00 -1.00 0.00 0.00 179.01 177.76 1h4b h ALA 34 N 1.35 0.22 -0.14 3.43 0.00 -0.92 -3.07 119.26 120.12 1h4b h ALA 34 Ca 0.33 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1h4b h ALA 34 Cb 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1h4b h ALA 34 CO -0.13 0.65 0.07 -0.07 0.00 0.00 0.00 179.25 179.77 1h4b h LEU 35 N 0.43 0.17 -1.42 0.00 3.38 0.95 -1.59 115.31 117.23 1h4b h LEU 35 Ca -0.08 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.02 1h4b h LEU 35 Cb 1.51 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 1h4b h LEU 35 CO 0.17 0.15 0.74 0.11 0.09 0.00 0.00 178.44 179.70 1h4b h LYS 36 N 0.19 0.00 -0.22 1.13 1.57 -0.32 0.46 116.57 119.38 1h4b h LYS 36 Ca 0.05 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1h4b h LYS 36 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1h4b h LYS 36 CO -0.01 0.00 0.44 0.00 -0.57 0.00 0.00 179.45 179.31 1h4b h THR 37 N 0.00 0.17 -0.17 -0.16 1.03 -1.47 0.49 112.91 112.80 1h4b h THR 37 Ca 0.23 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.59 1h4b h THR 37 Cb 1.71 0.61 -0.01 0.00 -1.07 0.00 0.00 68.15 69.39 1h4b h THR 37 CO -0.00 0.00 -0.05 -0.07 -0.01 0.00 0.00 175.52 175.39 1h4b h LEU 38 N 0.00 0.23 0.00 0.00 3.38 -0.31 -3.45 115.31 115.16 1h4b h LEU 38 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1h4b h LEU 38 Cb 0.99 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1h4b h LEU 38 CO -0.00 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1h4b n GLY 39 N -1.07 0.26 2.63 0.83 0.00 0.17 -4.78 105.19 103.24 1h4b n GLY 39 Ca -0.00 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 -1.26 0.00 0.00 0.00 173.32 172.06 1h4b n SER 40 N -0.42 -1.30 -3.57 1.61 2.88 -1.26 -5.13 113.62 106.43 1h4b n SER 40 Ca 0.00 -3.09 -0.16 0.00 -1.33 0.00 0.00 58.87 54.29 1h4b n SER 40 Cb 0.21 0.98 -0.07 0.00 -0.75 0.00 0.00 64.21 64.58 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 -0.54 0.00 0.25 2.46 2.07 -1.26 -5.18 121.20 119.00 1h4b s ILE 41 Ca 0.25 -1.86 0.06 0.00 -1.41 0.00 0.00 60.65 57.69 1h4b s ILE 41 Cb 0.35 -2.52 -0.05 0.00 0.13 0.00 0.00 42.46 40.37 1h4b s ILE 41 CO -0.06 0.00 -0.06 0.42 -1.91 0.00 0.00 174.94 173.33 1h4b s THR 42 N -3.55 1.48 0.28 4.00 -4.23 -1.26 -5.03 115.64 107.33 1h4b s THR 42 Ca 0.37 -2.11 0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1h4b s THR 42 Cb 0.03 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.58 1h4b s THR 42 CO 0.21 -0.38 1.69 1.55 -0.54 0.00 0.00 174.62 177.15 1h4b h PRO 43 N 2.40 0.37 0.00 3.99 0.13 -1.99 -2.59 132.00 134.31 1h4b h PRO 43 Ca -0.39 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.55 1h4b h PRO 43 Cb 1.23 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1h4b h PRO 43 CO 0.65 0.68 -0.12 -0.44 -0.23 0.00 0.00 178.00 178.55 1h4b h ASP 44 N 0.32 0.00 0.33 1.44 3.32 -1.99 -0.02 116.42 119.82 1h4b h ASP 44 Ca 0.04 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.76 1h4b h ASP 44 Cb 0.78 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.35 1h4b h ASP 44 CO 0.06 0.12 -1.53 -0.33 -1.72 0.00 0.00 179.24 175.84 1h4b h GLU 45 N 0.00 0.42 -0.35 3.56 5.08 -1.88 -2.73 114.58 118.68 1h4b h GLU 45 Ca -0.00 -0.72 -0.12 0.00 -1.00 0.00 0.00 59.36 57.52 1h4b h GLU 45 Cb 0.39 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1h4b h GLU 45 CO 0.02 1.33 -0.29 0.28 -1.00 0.00 0.00 179.01 179.34 1h4b h VAL 46 N 0.11 1.28 -0.60 3.13 2.07 -1.24 -1.67 116.25 119.33 1h4b h VAL 46 Ca -0.26 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 65.74 1h4b h VAL 46 Cb 2.10 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 1h4b h VAL 46 CO 0.22 0.47 0.00 0.11 0.02 0.00 0.00 177.57 178.39 1h4b h LYS 47 N 0.63 1.06 -0.70 1.57 1.57 -1.08 -2.54 116.57 117.08 1h4b h LYS 47 Ca 0.08 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.45 1h4b h LYS 47 Cb 0.81 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1h4b h LYS 47 CO 0.07 1.03 0.14 1.25 -0.57 0.00 0.00 179.45 181.38 1h4b h HIS 48 N 0.96 1.20 -0.73 -1.35 2.76 -1.25 -2.03 115.15 114.70 1h4b h HIS 48 Ca 0.17 -0.15 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1h4b h HIS 48 Cb 0.55 -0.33 -0.05 0.00 1.55 0.00 0.00 27.41 29.13 1h4b h HIS 48 CO 0.04 0.98 0.44 0.52 -1.30 0.00 0.00 177.93 178.61 1h4b h MET 49 N 1.07 0.80 -0.18 5.26 2.86 -1.01 -1.50 114.93 122.23 1h4b h MET 49 Ca 0.22 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1h4b h MET 49 Cb 0.41 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1h4b h MET 49 CO 0.01 0.53 0.09 0.52 1.06 0.00 0.00 176.91 179.12 1h4b h MET 50 N 0.83 0.25 -0.01 1.72 2.07 -1.05 0.96 114.93 119.70 1h4b h MET 50 Ca 0.31 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.91 1h4b h MET 50 Cb 0.12 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.80 1h4b h MET 50 CO -0.15 0.27 0.12 0.00 1.07 0.00 0.00 176.91 178.22 1h4b h ALA 51 N 0.97 1.18 0.02 6.32 0.00 -0.66 1.85 119.26 128.94 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 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1h4b h ALA 51 CO -0.01 -0.13 -2.30 0.39 0.00 0.00 0.00 179.25 177.20 1h4b n GLU 52 N -3.09 0.68 0.07 0.00 -0.58 -0.32 -4.37 120.64 113.02 1h4b n GLU 52 Ca -0.02 0.14 -0.11 0.00 -0.42 0.00 0.00 57.16 56.74 1h4b n GLU 52 Cb 0.19 -1.58 -0.13 0.00 -0.57 0.00 0.00 31.44 29.35 1h4b n GLU 52 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1h4b h ILE 53 N 0.01 1.48 -1.64 -3.67 2.04 0.20 -3.43 117.51 112.51 1h4b h ILE 53 Ca -0.52 -3.15 -0.48 0.00 1.00 0.00 0.00 64.86 61.71 1h4b h ILE 53 Cb 2.03 2.83 0.01 0.00 -0.74 0.00 0.00 36.82 40.94 1h4b h ILE 53 CO -0.01 0.88 1.62 -0.67 0.00 0.00 0.00 178.15 179.97 1h4b n ASP 54 N -3.39 2.43 -0.04 1.72 2.03 0.62 -4.81 116.55 115.10 1h4b n ASP 54 Ca -0.07 -0.41 -0.13 0.00 0.52 0.00 0.00 54.79 54.70 1h4b n ASP 54 Cb 0.99 -1.58 -0.08 0.00 -0.72 0.00 0.00 41.12 39.73 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 7.64 1.38 0.12 5.18 1.35 -1.86 -3.32 112.91 123.39 1h4b h THR 55 Ca -0.26 -1.38 -0.32 0.00 -0.55 0.00 0.00 66.41 63.90 1h4b h THR 55 Cb 1.27 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.74 1h4b h THR 55 CO 1.13 0.39 -1.69 -2.24 -0.25 0.00 0.00 175.52 172.86 1h4b h ASP 56 N -0.17 0.38 0.00 5.36 2.03 -1.92 -3.48 116.42 118.61 1h4b h ASP 56 Ca 0.01 -0.63 0.00 0.00 -0.73 0.00 0.00 57.03 55.68 1h4b h ASP 56 Cb 0.70 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 1h4b h ASP 56 CO 0.03 1.54 0.00 0.61 -1.03 0.00 0.00 179.24 180.39 1h4b n GLY 57 N 1.76 1.86 0.03 7.15 0.00 -1.25 -4.97 105.19 109.77 1h4b n GLY 57 Ca -0.21 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 0.01 0.12 0.00 1.61 5.75 -1.26 -4.85 116.55 117.93 1h4b n ASP 58 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.22 1h4b n ASP 58 Cb 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 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 0.35 3.17 6.12 0.00 -1.26 -5.06 105.19 109.69 1h4b n GLY 59 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.07 0.98 -0.16 1.61 0.08 -1.26 -4.46 117.98 112.70 1h4b s PHE 60 Ca 0.00 -0.72 -0.04 0.00 0.12 0.00 0.00 56.93 56.29 1h4b s PHE 60 Cb 0.00 -0.54 -0.03 0.00 -0.57 0.00 0.00 43.02 41.88 1h4b s PHE 60 CO 0.00 -0.05 -0.02 0.42 -0.10 0.00 0.00 175.22 175.47 1h4b s ILE 61 N -2.72 4.04 0.41 0.64 -1.09 -0.57 -4.78 121.20 117.13 1h4b s ILE 61 Ca 0.06 -0.30 0.05 0.00 -2.23 0.00 0.00 60.65 58.22 1h4b s ILE 61 Cb -0.01 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 1h4b s ILE 61 CO -0.01 0.49 0.58 -0.94 -1.23 0.00 0.00 174.94 173.82 1h4b s SER 62 N 0.37 5.79 0.25 3.58 1.04 -1.26 -1.24 113.70 122.24 1h4b s SER 62 Ca -0.03 -0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.28 1h4b s SER 62 Cb -0.14 -1.15 0.47 0.00 0.10 0.00 0.00 66.02 65.30 1h4b s SER 62 CO 0.02 -0.65 1.78 0.15 0.98 0.00 0.00 173.24 175.53 1h4b h PHE 63 N 0.62 0.80 -0.07 5.02 3.57 -1.97 0.29 116.94 125.21 1h4b h PHE 63 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1h4b h PHE 63 Cb 1.26 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1h4b h PHE 63 CO 0.42 0.25 0.04 0.37 -2.23 0.00 0.00 178.31 177.16 1h4b h GLN 64 N 0.69 0.09 -0.31 1.11 5.75 -1.93 0.41 115.11 120.92 1h4b h GLN 64 Ca 0.43 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.93 1h4b h GLN 64 Cb 0.53 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1h4b h GLN 64 CO -0.31 0.08 0.20 0.93 -2.65 0.00 0.00 178.83 177.08 1h4b h GLU 65 N 0.07 0.40 -0.52 1.69 5.08 -1.50 0.16 114.58 119.95 1h4b h GLU 65 Ca 0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1h4b h GLU 65 Cb 0.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1h4b h GLU 65 CO -0.00 0.26 0.19 0.35 -1.00 0.00 0.00 179.01 178.81 1h4b h PHE 66 N 0.41 0.77 -0.11 4.33 3.04 -0.17 -0.57 116.94 124.64 1h4b h PHE 66 Ca 0.11 -0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 1h4b h PHE 66 Cb -0.04 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.23 1h4b h PHE 66 CO -0.06 0.61 -0.04 1.15 -2.02 0.00 0.00 178.31 177.96 1h4b h THR 67 N 0.75 1.30 -0.81 4.41 2.02 0.65 0.79 112.91 122.02 1h4b h THR 67 Ca 0.18 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.37 1h4b h THR 67 Cb 0.18 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 1h4b h THR 67 CO -0.01 0.29 0.54 0.44 0.37 0.00 0.00 175.52 177.14 1h4b h ASP 68 N -0.12 0.90 0.29 4.18 3.32 -0.36 -1.38 116.42 123.24 1h4b h ASP 68 Ca 0.03 -0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.80 1h4b h ASP 68 Cb 0.47 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1h4b h ASP 68 CO 0.01 0.63 -1.08 0.15 -1.72 0.00 0.00 179.24 177.23 1h4b h PHE 69 N 1.05 0.75 -0.14 4.55 3.04 -0.92 -3.11 116.94 122.17 1h4b h PHE 69 Ca 0.31 -0.45 0.04 0.00 3.98 0.00 0.00 57.97 61.85 1h4b h PHE 69 Cb -0.04 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 1h4b h PHE 69 CO -0.00 1.29 0.10 0.78 -2.02 0.00 0.00 178.31 178.46 1h4b h GLY 70 N 0.94 0.00 1.93 2.40 0.00 0.15 0.96 103.07 109.45 1h4b h GLY 70 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 1h4b h GLY 70 CO 0.19 0.00 -0.51 3.21 0.00 0.00 0.00 176.54 179.43 1h4b h ARG 71 N 0.00 0.08 0.00 4.80 3.08 -1.21 0.44 114.38 121.57 1h4b h ARG 71 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1h4b h ARG 71 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1h4b h ARG 71 CO -0.00 0.58 -0.06 0.00 -1.07 0.00 0.00 179.97 179.42 1h4b h ALA 72 N 1.42 1.02 -0.86 0.04 0.00 -0.84 -3.32 119.26 116.72 1h4b h ALA 72 Ca -0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 1h4b h ALA 72 Cb 0.93 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.43 1h4b h ALA 72 CO 0.07 0.07 -0.82 0.27 0.00 0.00 0.00 179.25 178.85 1h4b n ASN 73 N -3.19 -0.54 -0.32 0.00 0.23 -0.91 -4.95 115.26 105.58 1h4b n ASN 73 Ca 0.00 -3.10 0.20 0.00 -0.53 0.00 0.00 54.58 51.15 1h4b n ASN 73 Cb 0.32 0.49 0.47 0.00 -2.08 0.00 0.00 39.78 38.98 1h4b n ASN 73 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1h4b h ARG 74 N 2.84 0.45 0.00 -3.83 0.11 -0.23 1.12 114.38 114.84 1h4b h ARG 74 Ca -0.06 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 59.96 1h4b h ARG 74 Cb 1.10 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 32.07 1h4b h ARG 74 CO 0.29 0.30 -0.15 0.78 0.10 0.00 0.00 179.97 181.29 1h4b h GLY 75 N 0.47 0.00 0.82 0.08 0.00 -1.93 -2.69 103.07 99.82 1h4b h GLY 75 Ca 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.88 1h4b h GLY 75 CO -0.32 0.00 -0.00 1.41 0.00 0.00 0.00 176.54 177.63 1h4b h LEU 76 N 0.00 0.35 -0.89 3.11 3.38 0.97 -2.69 115.31 119.54 1h4b h LEU 76 Ca -0.00 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1h4b h LEU 76 Cb 0.33 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1h4b h LEU 76 CO 0.02 0.57 0.59 -0.07 0.09 0.00 0.00 178.44 179.65 1h4b h LEU 77 N 0.11 1.02 -1.99 1.67 -0.00 -1.38 -0.69 115.31 114.06 1h4b h LEU 77 Ca 0.06 -0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1h4b h LEU 77 Cb 0.40 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1h4b h LEU 77 CO 0.01 0.73 0.06 0.11 -0.00 0.00 0.00 178.44 179.36 1h4b h LYS 78 N 1.20 0.02 -0.20 1.13 1.57 -1.34 1.56 116.57 120.51 1h4b h LYS 78 Ca 0.33 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.95 1h4b h LYS 78 Cb -0.12 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1h4b h LYS 78 CO -0.08 0.01 -0.55 0.22 -0.57 0.00 0.00 179.45 178.49 1h4b h ASP 79 N 0.02 0.67 0.62 0.86 3.58 -0.80 -3.14 116.42 118.23 1h4b h ASP 79 Ca 0.04 -0.36 -0.22 0.00 0.42 0.00 0.00 57.03 56.91 1h4b h ASP 79 Cb 0.15 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 1h4b h ASP 79 CO -0.00 1.09 -1.53 0.58 -2.88 0.00 0.00 179.24 176.49 1h4b h VAL 80 N 0.47 0.67 0.00 2.25 2.07 -0.85 -3.28 116.25 117.58 1h4b h VAL 80 Ca 0.01 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1h4b h VAL 80 Cb 1.10 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1h4b h VAL 80 CO 0.11 0.38 0.00 0.00 0.02 0.00 0.00 177.57 178.08 1h4b h ALA 81 N 1.23 1.00 0.01 1.67 0.00 0.22 -1.89 119.26 121.49 1h4b h ALA 81 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.36 1h4b h ALA 81 Cb 1.78 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 1h4b h ALA 81 CO 0.06 0.00 -2.09 0.36 0.00 0.00 0.00 179.25 177.58 1h4b n LYS 82 N -2.88 0.67 -0.04 0.00 2.85 -1.19 -4.14 118.16 113.43 1h4b n LYS 82 Ca -0.02 0.14 0.09 0.00 -1.05 0.00 0.00 58.31 57.47 1h4b n LYS 82 Cb 0.11 -1.64 0.48 0.00 -0.65 0.00 0.00 35.03 33.32 1h4b n LYS 82 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1h4b h ILE 83 N 0.00 0.98 -0.02 0.58 2.04 -1.40 -3.52 117.51 116.17 1h4b h ILE 83 Ca -0.44 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1h4b h ILE 83 Cb 2.12 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1h4b h ILE 83 CO 0.05 0.08 0.00 0.49 0.00 0.00 0.00 178.15 178.77