#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 -3.50 0.00 3.32 -2.10 -3.37 116.42 110.78 1h4b h ASP 2 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1h4b h ASP 2 Cb 0.00 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.38 1h4b h ASP 2 CO 0.00 0.03 -0.00 -0.62 -1.72 0.00 0.00 179.24 176.93 1h4b s ASP 3 N -6.72 6.26 0.43 6.45 2.15 -1.26 -5.04 116.67 118.94 1h4b s ASP 3 Ca -0.05 -0.58 0.06 0.00 0.43 0.00 0.00 52.55 52.42 1h4b s ASP 3 Cb 0.16 -2.28 -0.06 0.00 -0.30 0.00 0.00 42.92 40.44 1h4b s ASP 3 CO 0.63 -0.74 0.07 -1.38 -0.17 0.00 0.00 175.17 173.58 1h4b s HIS 4 N 2.55 2.46 0.25 -5.34 0.00 -1.26 -5.02 115.29 108.93 1h4b s HIS 4 Ca 0.17 -0.68 0.29 0.00 -3.00 0.00 0.00 55.06 51.85 1h4b s HIS 4 Cb -0.16 -1.82 1.32 0.00 -4.00 0.00 0.00 32.58 27.91 1h4b s HIS 4 CO 0.16 0.32 1.99 -1.00 -1.00 0.00 0.00 174.74 175.20 1h4b h PRO 5 N 1.59 0.00 -0.84 -0.38 0.13 -1.97 -2.86 132.00 127.67 1h4b h PRO 5 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1h4b h PRO 5 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1h4b h PRO 5 CO 0.76 0.12 0.39 1.96 -0.23 0.00 0.00 178.00 180.99 1h4b h GLN 6 N 0.00 1.22 -0.79 0.86 4.20 -2.00 -2.34 115.11 116.26 1h4b h GLN 6 Ca -0.00 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.53 1h4b h GLN 6 Cb 0.50 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 1h4b h GLN 6 CO 0.01 0.95 0.52 -0.44 -0.67 0.00 0.00 178.83 179.21 1h4b h ASP 7 N 1.21 0.90 -0.90 1.46 3.32 -1.91 -1.18 116.42 119.32 1h4b h ASP 7 Ca 0.29 -0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.49 1h4b h ASP 7 Cb 0.15 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.40 1h4b h ASP 7 CO -0.03 0.65 0.58 0.11 -1.72 0.00 0.00 179.24 178.83 1h4b h LYS 8 N 1.06 0.52 -0.50 3.56 1.57 -1.52 0.16 116.57 121.43 1h4b h LYS 8 Ca 0.29 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 1h4b h LYS 8 Cb -0.11 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.04 1h4b h LYS 8 CO -0.07 0.35 0.26 0.00 -0.57 0.00 0.00 179.45 179.42 1h4b h ALA 9 N 1.61 0.63 -0.33 3.86 0.00 -1.12 1.30 119.26 125.22 1h4b h ALA 9 Ca 0.47 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 1h4b h ALA 9 Cb 0.97 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1h4b h ALA 9 CO -0.20 -0.08 -0.01 0.93 0.00 0.00 0.00 179.25 179.89 1h4b h GLU 10 N 0.51 0.58 -0.64 0.00 5.08 -0.73 -0.45 114.58 118.93 1h4b h GLU 10 Ca 0.21 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1h4b h GLU 10 Cb 0.11 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1h4b h GLU 10 CO -0.14 0.71 0.13 0.00 -1.00 0.00 0.00 179.01 178.72 1h4b h ARG 11 N 0.38 1.02 -0.49 2.33 3.08 -0.40 -0.23 114.38 120.08 1h4b h ARG 11 Ca 0.09 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 1h4b h ARG 11 Cb 0.46 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1h4b h ARG 11 CO 0.02 0.92 0.02 0.93 -1.07 0.00 0.00 179.97 180.79 1h4b h GLU 12 N 0.97 0.84 -0.57 0.04 5.08 0.19 0.47 114.58 121.60 1h4b h GLU 12 Ca 0.20 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1h4b h GLU 12 Cb 0.37 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1h4b h GLU 12 CO 0.00 0.87 -0.07 0.00 -1.00 0.00 0.00 179.01 178.82 1h4b h ARG 13 N 0.70 1.05 -0.14 2.33 3.08 -0.78 0.20 114.38 120.82 1h4b h ARG 13 Ca 0.14 -0.37 -0.06 0.00 0.07 0.00 0.00 59.98 59.76 1h4b h ARG 13 Cb 0.48 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1h4b h ARG 13 CO 0.02 1.06 -0.16 0.82 -1.07 0.00 0.00 179.97 180.64 1h4b h ILE 14 N 0.93 1.36 -0.48 2.04 2.04 -0.82 -2.03 117.51 120.55 1h4b h ILE 14 Ca 0.15 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 1h4b h ILE 14 Cb 0.63 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1h4b h ILE 14 CO 0.04 0.39 0.17 0.15 0.00 0.00 0.00 178.15 178.91 1h4b h PHE 15 N -0.04 0.69 -0.00 1.37 3.57 0.05 -0.97 116.94 121.60 1h4b h PHE 15 Ca 0.02 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1h4b h PHE 15 Cb 0.70 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1h4b h PHE 15 CO 0.09 0.55 -0.33 0.87 -2.23 0.00 0.00 178.31 177.26 1h4b h LYS 16 N 0.68 0.01 -0.34 1.11 1.57 -0.45 -2.01 116.57 117.13 1h4b h LYS 16 Ca 0.16 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 1h4b h LYS 16 Cb 0.16 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1h4b h LYS 16 CO -0.01 0.33 -0.33 0.00 -0.57 0.00 0.00 179.45 178.87 1h4b h ARG 17 N 0.01 0.76 0.02 3.15 3.08 -0.43 -3.19 114.38 117.77 1h4b h ARG 17 Ca -0.00 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 1h4b h ARG 17 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1h4b h ARG 17 CO 0.04 0.98 -0.01 0.74 -1.07 0.00 0.00 179.97 180.65 1h4b h PHE 18 N 0.64 -0.03 -1.27 3.04 0.04 -1.04 -3.41 116.94 114.91 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 0.86 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 1h4b h PHE 18 CO 0.04 0.41 1.60 -3.47 -0.60 0.00 0.00 178.31 176.30 1h4b n ASP 19 N -4.89 2.05 0.08 2.17 -0.08 -0.80 -4.50 116.55 110.58 1h4b n ASP 19 Ca -0.08 -0.12 -0.13 0.00 -1.51 0.00 0.00 54.79 52.95 1h4b n ASP 19 Cb 0.23 -1.40 -0.08 0.00 2.34 0.00 0.00 41.12 42.21 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 16.28 -0.19 0.00 -1.67 0.00 -1.84 -3.26 119.26 128.57 1h4b h ALA 20 Ca -0.24 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1h4b h ALA 20 Cb 1.28 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1h4b h ALA 20 CO 1.15 -0.46 -1.06 -2.95 0.00 0.00 0.00 179.25 175.93 1h4b h ASN 21 N -0.50 0.00 -0.88 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 0.39 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.64 1h4b h ASN 21 CO 0.03 0.36 0.00 0.61 0.07 0.00 0.00 177.43 178.51 1h4b n GLY 22 N 1.29 0.89 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 45.59 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 0.87 2.90 0.00 1.61 5.75 -1.26 -4.90 116.55 121.51 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 -0.24 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 0.78 3.12 6.12 0.00 -1.26 -5.04 105.19 110.29 1h4b n GLY 24 Ca 0.18 0.00 -0.21 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 -0.74 1.06 -0.10 1.61 -2.85 -1.26 -3.88 119.74 113.58 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 -1.04 -0.02 0.00 -2.06 0.00 0.00 37.83 34.70 1h4b s LYS 25 CO 0.00 0.28 -0.11 0.42 0.10 0.00 0.00 175.35 176.04 1h4b s ILE 26 N -0.49 3.31 0.37 3.79 1.01 -0.41 -4.80 121.20 123.98 1h4b s ILE 26 Ca 0.04 -0.59 0.08 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 40.01 1h4b s ILE 26 CO 0.00 0.55 0.33 -0.94 0.00 0.00 0.00 174.94 174.89 1h4b s SER 27 N -0.13 5.18 0.24 3.58 1.04 -1.26 -1.28 113.70 121.07 1h4b s SER 27 Ca -0.00 -0.61 -0.05 0.00 0.48 0.00 0.00 55.95 55.77 1h4b s SER 27 Cb -0.13 -0.79 0.44 0.00 0.10 0.00 0.00 66.02 65.64 1h4b s SER 27 CO 0.03 -0.49 1.70 0.00 0.98 0.00 0.00 173.24 175.45 1h4b h ALA 28 N 1.14 0.94 -0.89 5.32 0.00 -1.93 0.66 119.26 124.51 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 19.19 1h4b h ALA 28 CO 0.58 -0.31 0.58 0.00 0.00 0.00 0.00 179.25 180.09 1h4b h ALA 29 N 1.58 1.50 0.08 0.00 0.00 -1.96 2.06 119.26 122.53 1h4b h ALA 29 Ca 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1h4b h ALA 29 Cb 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1h4b h ALA 29 CO -0.48 0.38 -0.04 0.93 0.00 0.00 0.00 179.25 180.04 1h4b h GLU 30 N 1.03 -0.10 -0.66 0.00 5.08 -0.59 -0.27 114.58 119.07 1h4b h GLU 30 Ca 0.37 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1h4b h GLU 30 Cb 0.15 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1h4b h GLU 30 CO -0.13 0.40 0.30 1.25 -1.00 0.00 0.00 179.01 179.82 1h4b h LEU 31 N -0.93 0.89 -0.39 1.33 5.85 0.26 -1.36 115.31 120.96 1h4b h LEU 31 Ca -0.01 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1h4b h LEU 31 Cb 0.55 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1h4b h LEU 31 CO 0.02 0.79 0.13 1.23 -0.34 0.00 0.00 178.44 180.27 1h4b h GLY 32 N 0.92 0.65 0.81 3.75 0.00 0.33 0.58 103.07 110.10 1h4b h GLY 32 Ca 0.22 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.22 1h4b h GLY 32 CO -0.02 0.35 0.46 0.83 0.00 0.00 0.00 176.54 178.15 1h4b h GLU 33 N 0.48 0.84 -0.13 4.80 5.08 -0.65 0.35 114.58 125.36 1h4b h GLU 33 Ca 0.13 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.20 1h4b h GLU 33 Cb 0.24 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.32 1h4b h GLU 33 CO -0.01 0.56 -0.83 0.00 -1.00 0.00 0.00 179.01 177.73 1h4b h ALA 34 N 1.34 0.27 -0.24 3.43 0.00 -0.96 -3.05 119.26 120.05 1h4b h ALA 34 Ca 0.31 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1h4b h ALA 34 Cb 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1h4b h ALA 34 CO -0.14 0.68 0.12 -0.07 0.00 0.00 0.00 179.25 179.84 1h4b h LEU 35 N 0.52 0.29 -1.45 0.00 3.38 0.91 -1.63 115.31 117.33 1h4b h LEU 35 Ca -0.07 -0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.07 1h4b h LEU 35 Cb 1.46 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 1h4b h LEU 35 CO 0.17 0.25 0.81 0.11 0.09 0.00 0.00 178.44 179.87 1h4b h LYS 36 N 0.33 0.00 -0.22 1.13 1.57 -0.21 0.54 116.57 119.70 1h4b h LYS 36 Ca 0.09 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1h4b h LYS 36 Cb 0.03 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 0.46 0.00 -0.57 0.00 0.00 179.45 179.33 1h4b h THR 37 N 0.00 0.16 -0.32 -0.16 1.03 -1.47 0.37 112.91 112.52 1h4b h THR 37 Ca 0.30 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.70 1h4b h THR 37 Cb 1.92 0.59 -0.02 0.00 -1.07 0.00 0.00 68.15 69.57 1h4b h THR 37 CO -0.00 0.00 0.20 -0.07 -0.01 0.00 0.00 175.52 175.64 1h4b h LEU 38 N 0.00 0.37 0.00 0.00 3.38 -0.16 -3.45 115.31 115.46 1h4b h LEU 38 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1h4b h LEU 38 Cb 1.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1h4b h LEU 38 CO -0.00 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.42 1h4b n GLY 39 N -1.46 0.51 2.61 0.83 0.00 0.13 -4.80 105.19 103.01 1h4b n GLY 39 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.12 -1.72 -3.66 1.61 7.64 -1.26 -5.14 113.62 110.97 1h4b n SER 40 Ca 0.00 -3.49 -0.13 0.00 1.01 0.00 0.00 58.87 56.26 1h4b n SER 40 Cb 0.06 1.34 -0.06 0.00 -1.01 0.00 0.00 64.21 64.54 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 -0.25 0.00 0.29 0.44 2.07 -1.26 -5.18 121.20 117.31 1h4b s ILE 41 Ca 0.27 -1.68 0.07 0.00 -1.41 0.00 0.00 60.65 57.90 1h4b s ILE 41 Cb 0.29 -2.49 -0.06 0.00 0.13 0.00 0.00 42.46 40.34 1h4b s ILE 41 CO -0.08 0.00 -0.07 0.42 -1.91 0.00 0.00 174.94 173.29 1h4b s THR 42 N -3.58 1.80 0.28 4.00 -4.23 -1.26 -5.03 115.64 107.61 1h4b s THR 42 Ca 0.32 -2.15 0.05 0.00 -1.18 0.00 0.00 61.69 58.73 1h4b s THR 42 Cb 0.01 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.40 1h4b s THR 42 CO 0.16 -0.29 1.67 1.55 -0.54 0.00 0.00 174.62 177.17 1h4b h PRO 43 N 2.23 0.27 0.00 3.99 0.13 -2.00 -2.69 132.00 133.93 1h4b h PRO 43 Ca -0.40 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.67 0.66 -0.11 -0.44 -0.23 0.00 0.00 178.00 178.56 1h4b h ASP 44 N 0.22 0.00 0.30 1.44 3.32 -1.99 -0.87 116.42 118.84 1h4b h ASP 44 Ca 0.02 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.73 1h4b h ASP 44 Cb 0.88 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.45 1h4b h ASP 44 CO 0.07 0.11 -1.56 -0.33 -1.72 0.00 0.00 179.24 175.81 1h4b h GLU 45 N 0.00 0.43 -0.37 3.56 5.08 -1.90 -2.67 114.58 118.73 1h4b h GLU 45 Ca -0.00 -0.74 -0.12 0.00 -1.00 0.00 0.00 59.36 57.50 1h4b h GLU 45 Cb 0.45 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1h4b h GLU 45 CO 0.01 1.34 -0.25 0.28 -1.00 0.00 0.00 179.01 179.39 1h4b h VAL 46 N 0.12 1.27 -0.61 3.13 2.07 -1.34 -1.55 116.25 119.34 1h4b h VAL 46 Ca -0.27 -1.37 -0.10 0.00 0.82 0.00 0.00 66.70 65.78 1h4b h VAL 46 Cb 2.11 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 1h4b h VAL 46 CO 0.22 0.45 0.01 0.50 0.02 0.00 0.00 177.57 178.77 1h4b h LYS 47 N 0.65 1.08 -0.68 1.57 3.64 -1.24 -2.61 116.57 118.97 1h4b h LYS 47 Ca 0.08 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.05 1h4b h LYS 47 Cb 0.76 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1h4b h LYS 47 CO 0.06 1.05 0.16 1.25 -2.27 0.00 0.00 179.45 179.70 1h4b h HIS 48 N 0.98 1.14 -0.75 1.91 2.76 -1.19 -2.02 115.15 118.00 1h4b h HIS 48 Ca 0.17 -0.14 0.07 0.00 -2.20 0.00 0.00 60.37 58.28 1h4b h HIS 48 Cb 0.56 -0.32 -0.06 0.00 1.55 0.00 0.00 27.41 29.13 1h4b h HIS 48 CO 0.04 0.94 0.43 0.52 -1.30 0.00 0.00 177.93 178.56 1h4b h MET 49 N 1.03 0.75 -0.15 5.26 2.86 -0.95 -1.40 114.93 122.35 1h4b h MET 49 Ca 0.21 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1h4b h MET 49 Cb 0.37 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1h4b h MET 49 CO 0.00 0.50 0.08 0.52 1.06 0.00 0.00 176.91 179.07 1h4b h MET 50 N 0.78 0.20 -0.11 1.72 2.07 -1.08 1.26 114.93 119.77 1h4b h MET 50 Ca 0.34 -0.02 0.03 0.00 -2.07 0.00 0.00 59.70 57.98 1h4b h MET 50 Cb 0.22 -0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 29.90 1h4b h MET 50 CO -0.19 0.21 0.29 0.00 1.07 0.00 0.00 176.91 178.29 1h4b h ALA 51 N 0.98 1.52 0.01 6.32 0.00 -0.59 2.11 119.26 129.61 1h4b h ALA 51 Ca 0.05 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.58 1h4b h ALA 51 Cb 0.07 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1h4b h ALA 51 CO -0.01 -0.34 -2.40 0.39 0.00 0.00 0.00 179.25 176.89 1h4b n GLU 52 N -3.23 0.67 0.09 0.00 1.02 -0.20 -4.41 120.64 114.57 1h4b n GLU 52 Ca 0.00 0.12 -0.13 0.00 -0.02 0.00 0.00 57.16 57.13 1h4b n GLU 52 Cb 0.38 -1.54 -0.13 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.00 1.55 -1.66 -3.67 2.04 0.29 -3.43 117.51 112.63 1h4b h ILE 53 Ca -0.55 -3.16 -0.48 0.00 1.00 0.00 0.00 64.86 61.67 1h4b h ILE 53 Cb 2.01 2.91 0.01 0.00 -0.74 0.00 0.00 36.82 41.01 1h4b h ILE 53 CO -0.04 0.91 1.62 -0.67 0.00 0.00 0.00 178.15 179.97 1h4b n ASP 54 N -3.47 2.45 -0.03 1.72 2.03 0.70 -4.81 116.55 115.15 1h4b n ASP 54 Ca -0.06 -0.41 -0.15 0.00 0.52 0.00 0.00 54.79 54.69 1h4b n ASP 54 Cb 1.00 -1.58 -0.10 0.00 -0.72 0.00 0.00 41.12 39.71 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 7.63 1.48 0.03 5.18 1.35 -1.86 -3.33 112.91 123.40 1h4b h THR 55 Ca -0.26 -1.72 -0.27 0.00 -0.55 0.00 0.00 66.41 63.60 1h4b h THR 55 Cb 1.27 2.49 -0.03 0.00 -1.73 0.00 0.00 68.15 70.14 1h4b h THR 55 CO 1.13 0.48 -1.47 -2.24 -0.25 0.00 0.00 175.52 173.17 1h4b h ASP 56 N -0.37 0.11 0.00 5.36 2.03 -1.92 -3.48 116.42 118.15 1h4b h ASP 56 Ca -0.02 -0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 1h4b h ASP 56 Cb 0.89 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.35 1h4b h ASP 56 CO 0.04 1.14 0.00 0.61 -1.03 0.00 0.00 179.24 180.01 1h4b n GLY 57 N 1.54 1.43 0.05 7.15 0.00 -1.25 -4.96 105.19 109.14 1h4b n GLY 57 Ca -0.12 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 0.48 0.19 0.00 1.61 5.75 -1.26 -4.86 116.55 118.46 1h4b n ASP 58 Ca 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.25 1h4b n ASP 58 Cb 0.09 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 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 1.21 0.28 3.17 6.12 0.00 -1.26 -5.06 105.19 109.65 1h4b n GLY 59 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.04 1.05 -0.18 1.61 0.08 -1.26 -4.46 117.98 112.78 1h4b s PHE 60 Ca 0.00 -0.64 -0.06 0.00 0.12 0.00 0.00 56.93 56.34 1h4b s PHE 60 Cb 0.00 -0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.84 1h4b s PHE 60 CO 0.00 -0.00 0.04 0.42 -0.10 0.00 0.00 175.22 175.57 1h4b s ILE 61 N -2.34 4.51 0.39 0.64 -1.09 -0.40 -4.77 121.20 118.14 1h4b s ILE 61 Ca 0.04 -0.13 0.05 0.00 -2.23 0.00 0.00 60.65 58.38 1h4b s ILE 61 Cb -0.03 -3.03 -0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1h4b s ILE 61 CO 0.00 0.45 0.56 -0.94 -1.23 0.00 0.00 174.94 173.78 1h4b s SER 62 N 0.52 5.85 0.25 3.58 1.04 -1.26 -1.29 113.70 122.38 1h4b s SER 62 Ca 0.02 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 1h4b s SER 62 Cb -0.13 -1.23 0.44 0.00 0.10 0.00 0.00 66.02 65.20 1h4b s SER 62 CO 0.01 -0.60 1.78 0.15 0.98 0.00 0.00 173.24 175.56 1h4b h PHE 63 N 0.66 0.73 -0.36 5.02 3.57 -1.97 0.44 116.94 125.04 1h4b h PHE 63 Ca -0.45 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.10 1h4b h PHE 63 Cb 1.26 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1h4b h PHE 63 CO 0.42 0.23 0.21 0.37 -2.23 0.00 0.00 178.31 177.31 1h4b h GLN 64 N 0.64 0.41 -0.23 1.11 5.75 -1.93 0.99 115.11 121.85 1h4b h GLN 64 Ca 0.41 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.87 1h4b h GLN 64 Cb 0.50 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 1h4b h GLN 64 CO -0.31 0.27 0.08 0.93 -2.65 0.00 0.00 178.83 177.15 1h4b h GLU 65 N 0.42 0.36 0.00 1.69 5.08 -1.37 -0.69 114.58 120.06 1h4b h GLU 65 Ca 0.14 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1h4b h GLU 65 Cb 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1h4b h GLU 65 CO -0.07 0.43 -0.26 0.35 -1.00 0.00 0.00 179.01 178.46 1h4b h PHE 66 N 0.21 0.00 -0.00 4.33 3.04 0.21 -1.19 116.94 123.54 1h4b h PHE 66 Ca 0.08 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 1h4b h PHE 66 Cb 0.22 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 1h4b h PHE 66 CO -0.00 0.26 -0.00 1.15 -2.02 0.00 0.00 178.31 177.70 1h4b h THR 67 N 0.00 1.39 -0.46 4.41 2.02 0.16 0.64 112.91 121.08 1h4b h THR 67 Ca -0.00 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 1h4b h THR 67 Cb 0.50 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.06 1h4b h THR 67 CO 0.03 0.30 0.10 0.44 0.37 0.00 0.00 175.52 176.76 1h4b h ASP 68 N -0.49 0.65 -0.01 4.18 3.32 -0.95 -0.89 116.42 122.24 1h4b h ASP 68 Ca 0.00 -0.11 -0.23 0.00 0.02 0.00 0.00 57.03 56.71 1h4b h ASP 68 Cb 0.50 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 39.90 1h4b h ASP 68 CO 0.00 0.65 -0.91 0.15 -1.72 0.00 0.00 179.24 177.41 1h4b h PHE 69 N 0.67 0.93 -0.00 4.55 3.04 -1.16 -3.06 116.94 121.91 1h4b h PHE 69 Ca 0.15 -0.50 -0.01 0.00 3.98 0.00 0.00 57.97 61.59 1h4b h PHE 69 Cb 0.27 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 1h4b h PHE 69 CO 0.01 1.34 -0.03 0.78 -2.02 0.00 0.00 178.31 178.39 1h4b h GLY 70 N 0.27 0.00 1.34 2.40 0.00 0.67 -0.73 103.07 107.03 1h4b h GLY 70 Ca -0.11 -0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1h4b h GLY 70 CO 0.18 0.00 -0.15 3.21 0.00 0.00 0.00 176.54 179.78 1h4b h ARG 71 N 0.00 0.77 0.00 4.80 3.08 -1.07 0.72 114.38 122.68 1h4b h ARG 71 Ca 0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1h4b h ARG 71 Cb 0.05 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1h4b h ARG 71 CO 0.00 0.88 0.00 0.00 -1.07 0.00 0.00 179.97 179.78 1h4b h ALA 72 N 1.14 1.00 -0.93 0.04 0.00 -1.07 -3.23 119.26 116.21 1h4b h ALA 72 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.67 1h4b h ALA 72 Cb 0.64 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.10 1h4b h ALA 72 CO 0.04 0.00 -0.96 0.09 0.00 0.00 0.00 179.25 178.43 1h4b n ASN 73 N -2.93 0.26 -0.31 0.00 3.02 -0.63 -4.93 115.26 109.74 1h4b n ASN 73 Ca -0.00 -2.83 0.22 0.00 -0.03 0.00 0.00 54.58 51.94 1h4b n ASN 73 Cb 0.21 -0.00 0.51 0.00 -0.61 0.00 0.00 39.78 39.88 1h4b n ASN 73 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1h4b h ARG 74 N 2.80 0.39 0.00 3.52 0.11 0.39 1.64 114.38 123.23 1h4b h ARG 74 Ca -0.09 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.97 1h4b h ARG 74 Cb 1.15 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.14 1h4b h ARG 74 CO 0.35 0.26 0.00 0.78 0.10 0.00 0.00 179.97 181.46 1h4b h GLY 75 N 0.40 0.00 0.68 0.08 0.00 -1.91 -1.60 103.07 100.71 1h4b h GLY 75 Ca 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.74 1h4b h GLY 75 CO -0.27 0.00 -0.67 1.41 0.00 0.00 0.00 176.54 177.00 1h4b h LEU 76 N 0.00 0.45 -1.14 3.11 3.38 0.21 -2.74 115.31 118.58 1h4b h LEU 76 Ca 0.00 -0.88 -0.05 0.00 0.09 0.00 0.00 57.88 57.04 1h4b h LEU 76 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1h4b h LEU 76 CO 0.00 1.29 -0.23 -0.07 0.09 0.00 0.00 178.44 179.52 1h4b h LEU 77 N -0.32 0.00 0.00 1.67 3.38 -1.28 0.19 115.31 118.96 1h4b h LEU 77 Ca -0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 1h4b h LEU 77 Cb 1.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1h4b h LEU 77 CO 0.13 0.23 -0.88 0.07 0.09 0.00 0.00 178.44 178.08 1h4b h LYS 78 N 0.00 0.00 0.09 1.13 2.10 -1.37 -2.64 116.57 115.88 1h4b h LYS 78 Ca -0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.38 1h4b h LYS 78 Cb 0.74 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.06 1h4b h LYS 78 CO 0.03 0.88 -1.43 -0.44 -2.00 0.00 0.00 179.45 176.49 1h4b h ASP 79 N 0.00 0.29 -0.56 7.07 3.32 -1.20 -3.32 116.42 122.03 1h4b h ASP 79 Ca -0.01 -0.80 0.03 0.00 0.02 0.00 0.00 57.03 56.26 1h4b h ASP 79 Cb 1.68 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 41.10 1h4b h ASP 79 CO 0.11 1.61 0.34 1.62 -1.72 0.00 0.00 179.24 181.20 1h4b h VAL 80 N -0.42 1.06 -0.95 -1.35 3.04 -0.74 -1.48 116.25 115.42 1h4b h VAL 80 Ca -0.32 -0.23 0.19 0.00 -1.01 0.00 0.00 66.70 65.33 1h4b h VAL 80 Cb 1.68 0.33 -0.11 0.00 -2.01 0.00 0.00 31.29 31.19 1h4b h VAL 80 CO 0.00 0.12 0.53 0.00 -1.01 0.00 0.00 177.57 177.21 1h4b h ALA 81 N 1.25 1.55 -0.27 3.17 0.00 -1.61 0.53 119.26 123.86 1h4b h ALA 81 Ca 0.22 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1h4b h ALA 81 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1h4b h ALA 81 CO -0.10 -0.14 0.18 0.87 0.00 0.00 0.00 179.25 180.06 1h4b h LYS 82 N 0.64 0.29 -0.46 0.00 1.57 -1.36 -0.59 116.57 116.66 1h4b h LYS 82 Ca 0.56 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.39 1h4b h LYS 82 Cb 0.91 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1h4b h LYS 82 CO -0.42 0.19 0.31 0.82 -0.57 0.00 0.00 179.45 179.78 1h4b h ILE 83 N 0.30 0.93 -0.02 1.86 2.04 0.15 -3.52 117.51 119.24 1h4b h ILE 83 Ca 0.11 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1h4b h ILE 83 Cb 0.06 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1h4b h ILE 83 CO -0.02 0.06 0.00 0.49 0.00 0.00 0.00 178.15 178.68