#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 -3.27 0.00 3.32 -2.12 -3.40 116.42 110.95 1h4b h ASP 2 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1h4b h ASP 2 Cb 0.00 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.58 1h4b h ASP 2 CO 0.00 0.00 0.69 -1.81 -1.72 0.00 0.00 179.24 176.40 1h4b s ASP 3 N -5.67 6.85 0.42 6.45 1.01 -1.26 -5.02 116.67 119.44 1h4b s ASP 3 Ca -0.05 2.41 0.07 0.00 0.71 0.00 0.00 52.55 55.70 1h4b s ASP 3 Cb 0.19 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 1h4b s ASP 3 CO 0.68 -0.58 0.29 -1.38 0.21 0.00 0.00 175.17 174.39 1h4b s HIS 4 N 0.39 2.66 0.24 4.23 -3.43 -1.26 -5.01 115.29 113.11 1h4b s HIS 4 Ca 0.59 -0.54 0.30 0.00 -0.80 0.00 0.00 55.06 54.61 1h4b s HIS 4 Cb -0.37 -2.08 1.34 0.00 -1.43 0.00 0.00 32.58 30.04 1h4b s HIS 4 CO 0.36 0.01 1.99 -1.00 -2.00 0.00 0.00 174.74 174.11 1h4b h PRO 5 N 1.20 0.00 -0.85 -0.38 0.13 -1.97 -2.86 132.00 127.28 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 0.63 0.11 0.40 1.96 -0.23 0.00 0.00 178.00 180.86 1h4b h GLN 6 N 0.00 1.23 -0.31 0.86 4.20 -2.01 -2.61 115.11 116.47 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 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1h4b h GLN 6 CO 0.01 0.95 0.18 -0.44 -0.67 0.00 0.00 178.83 178.86 1h4b h ASP 7 N 1.21 0.29 -1.00 1.46 3.32 -1.92 -1.74 116.42 118.05 1h4b h ASP 7 Ca 0.29 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.53 1h4b h ASP 7 Cb 0.13 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.52 1h4b h ASP 7 CO -0.03 0.21 0.61 0.11 -1.72 0.00 0.00 179.24 178.42 1h4b h LYS 8 N 0.37 0.72 -0.91 3.56 1.57 -1.57 0.28 116.57 120.58 1h4b h LYS 8 Ca 0.12 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 59.00 1h4b h LYS 8 Cb 0.00 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.06 1h4b h LYS 8 CO -0.06 0.47 0.52 0.00 -0.57 0.00 0.00 179.45 179.82 1h4b h ALA 9 N 1.64 1.40 -0.16 3.86 0.00 -1.14 1.39 119.26 126.24 1h4b h ALA 9 Ca 0.57 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.51 1h4b h ALA 9 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1h4b h ALA 9 CO -0.36 0.01 -0.03 0.93 0.00 0.00 0.00 179.25 179.80 1h4b h GLU 10 N 0.75 0.31 -0.62 0.00 4.39 -0.42 0.97 114.58 119.95 1h4b h GLU 10 Ca 0.49 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.99 1h4b h GLU 10 Cb 0.64 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1h4b h GLU 10 CO -0.33 0.57 0.06 0.00 -1.16 0.00 0.00 179.01 178.15 1h4b h ARG 11 N 0.03 1.03 -0.54 2.33 3.08 -0.51 -0.31 114.38 119.49 1h4b h ARG 11 Ca 0.04 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 1h4b h ARG 11 Cb 0.45 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1h4b h ARG 11 CO 0.01 0.97 0.01 0.93 -1.07 0.00 0.00 179.97 180.83 1h4b h GLU 12 N 0.96 0.95 -0.57 0.04 5.08 0.19 0.41 114.58 121.64 1h4b h GLU 12 Ca 0.19 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1h4b h GLU 12 Cb 0.47 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1h4b h GLU 12 CO 0.02 0.95 -0.03 0.00 -1.00 0.00 0.00 179.01 178.95 1h4b h ARG 13 N 0.83 1.03 -0.12 2.33 3.08 -0.50 0.56 114.38 121.59 1h4b h ARG 13 Ca 0.16 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 1h4b h ARG 13 Cb 0.52 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1h4b h ARG 13 CO 0.03 1.03 -0.14 0.82 -1.07 0.00 0.00 179.97 180.63 1h4b h ILE 14 N 0.92 1.36 -0.34 2.04 2.04 -0.81 -1.92 117.51 120.81 1h4b h ILE 14 Ca 0.16 -1.33 -0.08 0.00 1.00 0.00 0.00 64.86 64.61 1h4b h ILE 14 Cb 0.58 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 1h4b h ILE 14 CO 0.03 0.39 -0.13 0.15 0.00 0.00 0.00 178.15 178.59 1h4b h PHE 15 N -0.09 0.64 -0.17 1.37 3.04 -0.07 -2.26 116.94 119.40 1h4b h PHE 15 Ca 0.02 -0.11 -0.07 0.00 3.98 0.00 0.00 57.97 61.79 1h4b h PHE 15 Cb 0.68 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1h4b h PHE 15 CO 0.09 0.69 -0.22 0.87 -2.02 0.00 0.00 178.31 177.72 1h4b h LYS 16 N 0.54 0.30 -0.20 1.11 1.57 0.22 -1.92 116.57 118.19 1h4b h LYS 16 Ca 0.10 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1h4b h LYS 16 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1h4b h LYS 16 CO 0.03 0.51 -0.46 0.00 -0.57 0.00 0.00 179.45 178.96 1h4b h ARG 17 N 0.27 0.51 -0.05 3.15 3.08 -0.78 -3.17 114.38 117.40 1h4b h ARG 17 Ca 0.05 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 1h4b h ARG 17 Cb 0.54 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1h4b h ARG 17 CO 0.04 0.87 -0.02 0.74 -1.07 0.00 0.00 179.97 180.53 1h4b h PHE 18 N 0.41 0.11 -1.53 3.04 0.04 -1.01 -3.40 116.94 114.59 1h4b h PHE 18 Ca 0.03 -0.03 -0.51 0.00 2.80 0.00 0.00 57.97 60.26 1h4b h PHE 18 Cb 0.97 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.09 1h4b h PHE 18 CO 0.04 0.46 1.60 -3.47 -0.60 0.00 0.00 178.31 176.34 1h4b n ASP 19 N -4.83 2.37 0.05 2.17 2.03 -0.77 -4.47 116.55 113.10 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 0.23 -1.51 -0.09 0.00 -0.72 0.00 0.00 41.12 39.04 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 17.50 -0.13 0.00 -1.67 0.00 -1.84 -3.28 119.26 129.83 1h4b h ALA 20 Ca -0.27 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1h4b h ALA 20 Cb 1.27 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1h4b h ALA 20 CO 1.12 -0.40 -1.28 -2.95 0.00 0.00 0.00 179.25 175.74 1h4b h ASN 21 N -0.48 0.00 -0.51 0.00 -1.07 -1.91 -3.48 115.58 108.12 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 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1h4b h ASN 21 CO 0.02 0.66 0.00 0.61 0.07 0.00 0.00 177.43 178.79 1h4b n GLY 22 N 1.39 0.99 0.82 9.14 0.00 -1.24 -4.96 105.19 111.32 1h4b n GLY 22 Ca -0.08 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 2.44 0.00 1.61 5.75 -1.26 -4.89 116.55 121.09 1h4b n ASP 23 Ca 0.00 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1h4b n ASP 23 Cb 0.29 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 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 1.28 0.86 3.11 6.12 0.00 -1.26 -5.04 105.19 110.26 1h4b n GLY 24 Ca 0.17 0.00 -0.21 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 -0.70 1.00 -0.11 1.61 -2.85 -1.26 -3.88 119.74 113.55 1h4b s LYS 25 Ca 0.00 -0.56 -0.00 0.00 -1.00 0.00 0.00 55.97 54.40 1h4b s LYS 25 Cb 0.00 -0.98 -0.02 0.00 -2.06 0.00 0.00 37.83 34.76 1h4b s LYS 25 CO 0.00 0.26 -0.09 0.42 0.10 0.00 0.00 175.35 176.04 1h4b s ILE 26 N -0.49 3.41 0.36 3.79 1.01 -0.29 -4.80 121.20 124.19 1h4b s ILE 26 Ca 0.04 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.21 1h4b s ILE 26 Cb -0.06 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 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 -0.09 5.23 0.24 3.58 1.04 -1.26 -1.52 113.70 120.92 1h4b s SER 27 Ca -0.00 -0.57 -0.06 0.00 0.48 0.00 0.00 55.95 55.80 1h4b s SER 27 Cb -0.13 -0.84 0.44 0.00 0.10 0.00 0.00 66.02 65.58 1h4b s SER 27 CO 0.03 -0.46 1.69 0.00 0.98 0.00 0.00 173.24 175.48 1h4b h ALA 28 N 1.16 0.93 -0.98 5.32 0.00 -1.93 0.60 119.26 124.36 1h4b h ALA 28 Ca -0.44 0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1h4b h ALA 28 Cb 1.26 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 1h4b h ALA 28 CO 0.58 -0.32 0.63 0.00 0.00 0.00 0.00 179.25 180.14 1h4b h ALA 29 N 1.58 1.37 0.12 0.00 0.00 -1.96 1.95 119.26 122.32 1h4b h ALA 29 Ca 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1h4b h ALA 29 Cb 0.66 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1h4b h ALA 29 CO -0.48 0.41 -0.06 0.93 0.00 0.00 0.00 179.25 180.05 1h4b h GLU 30 N 1.14 -0.15 -0.62 0.00 5.08 -0.68 -0.37 114.58 118.98 1h4b h GLU 30 Ca 0.43 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.78 1h4b h GLU 30 Cb 0.18 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1h4b h GLU 30 CO -0.18 0.32 0.32 1.25 -1.00 0.00 0.00 179.01 179.72 1h4b h LEU 31 N -0.88 0.79 -0.51 1.33 5.85 0.20 -1.74 115.31 120.34 1h4b h LEU 31 Ca -0.02 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1h4b h LEU 31 Cb 0.54 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1h4b h LEU 31 CO 0.03 0.68 0.25 1.23 -0.34 0.00 0.00 178.44 180.28 1h4b h GLY 32 N 0.84 0.79 0.79 3.75 0.00 0.30 0.30 103.07 109.84 1h4b h GLY 32 Ca 0.21 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.19 1h4b h GLY 32 CO -0.03 0.38 0.42 0.83 0.00 0.00 0.00 176.54 178.13 1h4b h GLU 33 N 0.68 0.77 -0.25 4.80 5.08 -0.61 0.74 114.58 125.80 1h4b h GLU 33 Ca 0.18 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.30 1h4b h GLU 33 Cb 0.12 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1h4b h GLU 33 CO -0.02 0.51 -0.61 0.00 -1.00 0.00 0.00 179.01 177.89 1h4b h ALA 34 N 1.32 0.44 -0.37 3.43 0.00 -0.95 -2.95 119.26 120.18 1h4b h ALA 34 Ca 0.29 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1h4b h ALA 34 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1h4b h ALA 34 CO -0.14 0.68 0.25 -0.07 0.00 0.00 0.00 179.25 179.97 1h4b h LEU 35 N 0.63 0.35 -1.54 0.00 3.38 0.42 -1.41 115.31 117.13 1h4b h LEU 35 Ca -0.00 -0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.24 1h4b h LEU 35 Cb 1.22 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1h4b h LEU 35 CO 0.13 0.25 0.97 0.11 0.09 0.00 0.00 178.44 179.99 1h4b h LYS 36 N 0.41 0.00 -0.45 1.13 1.57 -0.70 0.78 116.57 119.31 1h4b h LYS 36 Ca 0.15 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.06 1h4b h LYS 36 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1h4b h LYS 36 CO -0.03 0.00 0.51 0.00 -0.57 0.00 0.00 179.45 179.36 1h4b h THR 37 N 0.00 0.33 -0.21 -0.16 1.03 -1.43 0.53 112.91 113.00 1h4b h THR 37 Ca 0.46 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.82 1h4b h THR 37 Cb 2.40 0.59 -0.01 0.00 -1.07 0.00 0.00 68.15 70.06 1h4b h THR 37 CO -0.00 0.00 -0.07 -0.07 -0.01 0.00 0.00 175.52 175.36 1h4b h LEU 38 N 0.00 0.30 0.00 0.00 3.38 0.36 -3.45 115.31 115.90 1h4b h LEU 38 Ca 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1h4b h LEU 38 Cb 1.23 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1h4b h LEU 38 CO -0.00 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.55 1h4b n GLY 39 N -0.93 0.34 2.66 0.83 0.00 0.19 -4.77 105.19 103.50 1h4b n GLY 39 Ca -0.00 0.00 -0.09 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 -0.30 -0.98 -4.25 1.61 7.64 -1.26 -5.13 113.62 110.94 1h4b n SER 40 Ca 0.00 -2.76 -0.14 0.00 1.01 0.00 0.00 58.87 56.98 1h4b n SER 40 Cb 0.15 0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 63.93 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 -0.77 0.25 0.30 0.44 2.07 -1.26 -5.17 121.20 117.05 1h4b s ILE 41 Ca 0.25 -2.00 0.09 0.00 -1.41 0.00 0.00 60.65 57.57 1h4b s ILE 41 Cb 0.39 -2.55 -0.06 0.00 0.13 0.00 0.00 42.46 40.37 1h4b s ILE 41 CO -0.05 -0.01 -0.11 0.42 -1.91 0.00 0.00 174.94 173.28 1h4b s THR 42 N -3.98 2.03 0.29 4.00 -4.23 -1.26 -5.03 115.64 107.46 1h4b s THR 42 Ca 0.38 -2.22 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1h4b s THR 42 Cb 0.07 -2.46 0.05 0.00 1.34 0.00 0.00 72.50 71.50 1h4b s THR 42 CO 0.13 -0.31 1.71 1.55 -0.54 0.00 0.00 174.62 177.15 1h4b h PRO 43 N 2.21 0.35 0.00 3.99 0.13 -1.99 -2.53 132.00 134.17 1h4b h PRO 43 Ca -0.41 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.55 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 0.67 0.66 -0.11 -0.44 -0.23 0.00 0.00 178.00 178.54 1h4b h ASP 44 N 0.30 0.00 0.40 1.44 3.32 -1.99 0.48 116.42 120.38 1h4b h ASP 44 Ca 0.04 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.77 1h4b h ASP 44 Cb 0.75 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.31 1h4b h ASP 44 CO 0.06 0.11 -1.52 -0.33 -1.72 0.00 0.00 179.24 175.84 1h4b h GLU 45 N 0.00 0.33 -0.31 3.56 5.08 -1.87 -2.72 114.58 118.64 1h4b h GLU 45 Ca -0.00 -0.56 -0.12 0.00 -1.00 0.00 0.00 59.36 57.68 1h4b h GLU 45 Cb 0.31 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1h4b h GLU 45 CO 0.01 1.22 -0.31 0.28 -1.00 0.00 0.00 179.01 179.21 1h4b h VAL 46 N 0.09 1.28 -0.48 3.13 2.07 -1.17 -1.38 116.25 119.79 1h4b h VAL 46 Ca -0.25 -1.44 -0.13 0.00 0.82 0.00 0.00 66.70 65.71 1h4b h VAL 46 Cb 2.05 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 1h4b h VAL 46 CO 0.19 0.47 -0.19 0.50 0.02 0.00 0.00 177.57 178.55 1h4b h LYS 47 N 0.57 0.97 -0.65 1.57 3.64 -0.99 -2.57 116.57 119.11 1h4b h LYS 47 Ca 0.07 -0.40 -0.08 0.00 -1.27 0.00 0.00 60.65 58.97 1h4b h LYS 47 Cb 0.82 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 1h4b h LYS 47 CO 0.07 1.07 0.09 1.25 -2.27 0.00 0.00 179.45 179.65 1h4b h HIS 48 N 0.84 1.15 -0.66 1.91 2.76 -1.23 -1.86 115.15 118.07 1h4b h HIS 48 Ca 0.11 -0.16 0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1h4b h HIS 48 Cb 0.76 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.36 1h4b h HIS 48 CO 0.05 0.97 0.40 0.52 -1.30 0.00 0.00 177.93 178.58 1h4b h MET 49 N 1.01 0.77 -0.18 5.26 2.86 -1.02 -1.46 114.93 122.16 1h4b h MET 49 Ca 0.20 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1h4b h MET 49 Cb 0.46 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1h4b h MET 49 CO 0.02 0.51 0.10 0.52 1.06 0.00 0.00 176.91 179.11 1h4b h MET 50 N 0.79 0.26 -0.02 1.72 2.07 -1.09 0.97 114.93 119.63 1h4b h MET 50 Ca 0.26 -0.03 0.01 0.00 -2.07 0.00 0.00 59.70 57.87 1h4b h MET 50 Cb 0.03 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.71 1h4b h MET 50 CO -0.11 0.26 0.12 0.00 1.07 0.00 0.00 176.91 178.25 1h4b h ALA 51 N 0.98 1.20 0.02 6.32 0.00 -0.72 1.82 119.26 128.89 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 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 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 -3.12 0.68 0.07 0.00 1.02 -0.29 -4.37 120.64 114.62 1h4b n GLU 52 Ca -0.02 0.14 -0.12 0.00 -0.02 0.00 0.00 57.16 57.15 1h4b n GLU 52 Cb 0.19 -1.58 -0.13 0.00 -0.02 0.00 0.00 31.44 29.90 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 1.47 -1.68 -3.67 2.04 0.20 -3.43 117.51 112.45 1h4b h ILE 53 Ca -0.52 -3.14 -0.48 0.00 1.00 0.00 0.00 64.86 61.73 1h4b h ILE 53 Cb 2.02 2.82 0.01 0.00 -0.74 0.00 0.00 36.82 40.93 1h4b h ILE 53 CO -0.01 0.88 1.61 -0.62 0.00 0.00 0.00 178.15 180.00 1h4b s ASP 54 N -6.82 4.58 0.02 1.72 2.15 0.61 -4.81 116.67 114.13 1h4b s ASP 54 Ca -0.03 1.18 -0.21 0.00 0.43 0.00 0.00 52.55 53.91 1h4b s ASP 54 Cb 0.08 -2.50 -0.16 0.00 -0.30 0.00 0.00 42.92 40.04 1h4b s ASP 54 CO 0.85 -2.75 1.31 0.71 -0.17 0.00 0.00 175.17 175.12 1h4b h THR 55 N 7.61 1.36 0.15 1.71 1.35 -1.86 -3.33 112.91 119.90 1h4b h THR 55 Ca -0.26 -1.33 -0.34 0.00 -0.55 0.00 0.00 66.41 63.93 1h4b h THR 55 Cb 1.26 1.98 -0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1h4b h THR 55 CO 1.13 0.38 -1.76 -2.24 -0.25 0.00 0.00 175.52 172.78 1h4b h ASP 56 N -0.11 0.48 0.00 5.36 2.03 -1.92 -3.49 116.42 118.77 1h4b h ASP 56 Ca 0.02 -0.80 0.00 0.00 -0.73 0.00 0.00 57.03 55.52 1h4b h ASP 56 Cb 0.67 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1h4b h ASP 56 CO 0.03 1.68 0.00 0.61 -1.03 0.00 0.00 179.24 180.54 1h4b n GLY 57 N 1.83 1.89 0.01 7.15 0.00 -1.25 -4.97 105.19 109.85 1h4b n GLY 57 Ca -0.24 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 0.04 0.00 1.61 5.75 -1.26 -4.85 116.55 117.84 1h4b n ASP 58 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 1h4b n ASP 58 Cb 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 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 1.17 0.26 3.17 6.12 0.00 -1.26 -5.06 105.19 109.58 1h4b n GLY 59 Ca 0.18 0.00 -0.13 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 -2.01 0.96 -0.16 1.61 0.08 -1.26 -4.46 117.98 112.75 1h4b s PHE 60 Ca 0.00 -0.75 -0.04 0.00 0.12 0.00 0.00 56.93 56.26 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 -0.06 -0.02 0.42 -0.10 0.00 0.00 175.22 175.46 1h4b s ILE 61 N -2.86 4.04 0.38 0.64 -1.09 -0.57 -4.78 121.20 116.96 1h4b s ILE 61 Ca 0.07 -0.31 0.07 0.00 -2.23 0.00 0.00 60.65 58.26 1h4b s ILE 61 Cb -0.00 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 1h4b s ILE 61 CO -0.02 0.49 0.52 -0.44 -1.23 0.00 0.00 174.94 174.27 1h4b s SER 62 N 0.32 5.81 0.22 3.58 0.01 -1.26 -1.14 113.70 121.24 1h4b s SER 62 Ca -0.03 -0.30 -0.08 0.00 1.31 0.00 0.00 55.95 56.85 1h4b s SER 62 Cb -0.14 -0.94 0.30 0.00 0.21 0.00 0.00 66.02 65.45 1h4b s SER 62 CO 0.02 -0.60 1.78 0.15 0.41 0.00 0.00 173.24 175.00 1h4b h PHE 63 N 0.76 0.58 -0.35 2.43 3.57 -1.96 0.32 116.94 122.29 1h4b h PHE 63 Ca -0.43 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.12 1h4b h PHE 63 Cb 1.27 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 1h4b h PHE 63 CO 0.41 0.21 0.17 0.37 -2.23 0.00 0.00 178.31 177.25 1h4b h GLN 64 N 0.56 0.35 -0.30 1.11 -0.00 -1.94 0.30 115.11 115.20 1h4b h GLN 64 Ca 0.32 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.94 1h4b h GLN 64 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 1h4b h GLN 64 CO -0.26 0.23 0.14 0.93 0.00 0.00 0.00 178.83 179.87 1h4b h GLU 65 N 0.36 0.43 -0.77 1.69 5.08 -1.55 -0.50 114.58 119.32 1h4b h GLU 65 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1h4b h GLU 65 Cb 0.05 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1h4b h GLU 65 CO -0.10 0.41 0.49 0.35 -1.00 0.00 0.00 179.01 179.16 1h4b h PHE 66 N 0.34 0.98 -0.16 4.33 3.04 0.07 -0.56 116.94 124.98 1h4b h PHE 66 Ca 0.10 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 1h4b h PHE 66 Cb 0.13 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 1h4b h PHE 66 CO -0.02 0.63 0.01 1.15 -2.02 0.00 0.00 178.31 178.07 1h4b h THR 67 N 1.05 1.24 -0.96 4.41 2.02 0.12 0.97 112.91 121.76 1h4b h THR 67 Ca 0.28 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1h4b h THR 67 Cb -0.09 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 1h4b h THR 67 CO -0.06 0.23 0.63 -0.78 0.37 0.00 0.00 175.52 175.92 1h4b h ASP 68 N 0.03 1.08 0.25 4.18 1.82 -0.57 -1.09 116.42 122.12 1h4b h ASP 68 Ca 0.05 -0.02 -0.24 0.00 -0.39 0.00 0.00 57.03 56.43 1h4b h ASP 68 Cb 0.34 -0.26 0.01 0.00 0.68 0.00 0.00 39.33 40.10 1h4b h ASP 68 CO 0.01 0.76 -0.99 0.15 -1.61 0.00 0.00 179.24 177.56 1h4b h PHE 69 N 1.26 0.74 -0.27 0.28 3.04 -0.89 -3.10 116.94 118.01 1h4b h PHE 69 Ca 0.37 -0.41 0.02 0.00 3.98 0.00 0.00 57.97 61.94 1h4b h PHE 69 Cb -0.08 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1h4b h PHE 69 CO -0.01 1.23 0.18 0.78 -2.02 0.00 0.00 178.31 178.48 1h4b h GLY 70 N 1.00 0.29 1.90 2.40 0.00 0.17 -0.25 103.07 108.58 1h4b h GLY 70 Ca -0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 1h4b h GLY 70 CO 0.18 0.09 -0.55 3.21 0.00 0.00 0.00 176.54 179.47 1h4b h ARG 71 N 0.26 0.10 0.00 4.80 3.08 -1.15 0.36 114.38 121.83 1h4b h ARG 71 Ca 0.11 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1h4b h ARG 71 Cb 0.12 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1h4b h ARG 71 CO -0.02 0.63 -0.02 0.00 -1.07 0.00 0.00 179.97 179.49 1h4b h ALA 72 N 1.36 1.00 -0.79 0.04 0.00 -1.03 -3.33 119.26 116.51 1h4b h ALA 72 Ca -0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 1h4b h ALA 72 Cb 1.00 -0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.50 1h4b h ALA 72 CO 0.08 0.02 -0.82 0.09 0.00 0.00 0.00 179.25 178.62 1h4b n ASN 73 N -3.11 -0.39 -0.30 0.00 3.02 -0.99 -4.95 115.26 108.54 1h4b n ASN 73 Ca 0.01 -2.96 0.08 0.00 -0.03 0.00 0.00 54.58 51.68 1h4b n ASN 73 Cb 0.34 0.39 0.24 0.00 -0.61 0.00 0.00 39.78 40.14 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 2.76 0.56 -0.02 3.52 3.08 -0.42 1.03 114.38 124.89 1h4b h ARG 74 Ca -0.09 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1h4b h ARG 74 Cb 1.13 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1h4b h ARG 74 CO 0.28 0.37 0.19 0.78 -1.07 0.00 0.00 179.97 180.53 1h4b h GLY 75 N 0.58 0.00 0.81 0.04 0.00 -1.93 -0.48 103.07 102.09 1h4b h GLY 75 Ca 0.48 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.61 1h4b h GLY 75 CO -0.39 0.00 -0.85 1.41 0.00 0.00 0.00 176.54 176.71 1h4b h LEU 76 N 0.00 0.56 -1.30 3.11 3.38 0.76 -3.27 115.31 118.54 1h4b h LEU 76 Ca 0.01 -0.89 -0.02 0.00 0.09 0.00 0.00 57.88 57.08 1h4b h LEU 76 Cb 0.40 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1h4b h LEU 76 CO -0.00 1.39 0.28 -0.07 0.09 0.00 0.00 178.44 180.13 1h4b h LEU 77 N -0.20 0.68 -2.25 1.67 3.38 -0.93 -0.88 115.31 116.78 1h4b h LEU 77 Ca -0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1h4b h LEU 77 Cb 1.62 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 1h4b h LEU 77 CO 0.16 0.57 -0.02 0.11 0.09 0.00 0.00 178.44 179.35 1h4b h LYS 78 N 0.76 0.00 0.02 1.13 1.57 -1.51 0.32 116.57 118.87 1h4b h LYS 78 Ca 0.19 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.72 1h4b h LYS 78 Cb 0.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1h4b h LYS 78 CO -0.03 0.02 -1.02 0.22 -0.57 0.00 0.00 179.45 178.06 1h4b h ASP 79 N 0.00 0.73 0.83 0.86 3.58 -1.22 -3.24 116.42 117.95 1h4b h ASP 79 Ca -0.00 -0.60 -0.21 0.00 0.42 0.00 0.00 57.03 56.64 1h4b h ASP 79 Cb 0.04 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 1h4b h ASP 79 CO 0.00 1.40 -0.98 0.58 -2.88 0.00 0.00 179.24 177.36 1h4b h VAL 80 N 0.30 1.62 0.00 2.25 2.07 -1.07 -3.07 116.25 118.35 1h4b h VAL 80 Ca -0.11 -3.09 0.00 0.00 0.82 0.00 0.00 66.70 64.31 1h4b h VAL 80 Cb 1.67 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 34.17 1h4b h VAL 80 CO 0.19 0.89 0.00 0.00 0.02 0.00 0.00 177.57 178.67 1h4b n ALA 81 N -2.41 1.22 -0.07 1.67 0.00 0.10 -1.63 120.51 119.40 1h4b n ALA 81 Ca -0.02 0.17 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1h4b n ALA 81 Cb 0.90 -1.34 -0.15 0.00 0.00 0.00 0.00 19.45 18.85 1h4b n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h4b n LYS 82 N -2.27 0.67 -0.31 0.00 5.02 -1.17 -4.21 118.16 115.89 1h4b n LYS 82 Ca -0.00 0.12 0.01 0.00 -2.02 0.00 0.00 58.31 56.42 1h4b n LYS 82 Cb 0.09 -1.62 0.19 0.00 -0.02 0.00 0.00 35.03 33.68 1h4b n LYS 82 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1h4b h ILE 83 N 0.01 1.16 -0.01 -0.18 2.04 -1.25 -3.52 117.51 115.75 1h4b h ILE 83 Ca -0.46 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1h4b h ILE 83 Cb 2.12 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1h4b h ILE 83 CO 0.03 0.21 0.00 0.49 0.00 0.00 0.00 178.15 178.88