#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdn s PHE 2 N 0.00 1.82 0.01 2.03 5.36 -0.76 -5.00 117.98 121.44 1hdn s PHE 2 Ca 0.00 -0.36 0.00 0.00 -0.96 0.00 0.00 56.93 55.61 1hdn s PHE 2 Cb 0.00 -1.13 -0.01 0.00 -0.34 0.00 0.00 43.02 41.55 1hdn s PHE 2 CO 0.00 0.03 -0.02 1.14 -1.46 0.00 0.00 175.22 174.92 1hdn s GLN 3 N -0.84 0.14 -0.08 10.12 -2.07 -1.26 -0.59 119.66 125.08 1hdn s GLN 3 Ca 0.08 -0.20 0.00 0.00 -1.82 0.00 0.00 55.36 53.42 1hdn s GLN 3 Cb -0.08 -0.02 0.02 0.00 -1.09 0.00 0.00 33.01 31.84 1hdn s GLN 3 CO 0.01 -0.00 -0.07 -0.65 -1.32 0.00 0.00 175.29 173.26 1hdn s GLN 4 N -0.44 1.29 -0.20 9.60 -0.21 -0.40 -5.00 119.66 124.30 1hdn s GLN 4 Ca -0.04 -0.20 -0.12 0.00 0.02 0.00 0.00 55.36 55.01 1hdn s GLN 4 Cb -0.03 -1.30 -0.05 0.00 1.00 0.00 0.00 33.01 32.63 1hdn s GLN 4 CO -0.00 -0.17 0.22 -2.00 -2.12 0.00 0.00 175.29 171.22 1hdn s GLU 5 N 1.36 4.18 -0.02 2.91 2.12 -1.26 -0.80 118.70 127.19 1hdn s GLU 5 Ca -0.03 -0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.27 1hdn s GLU 5 Cb -0.14 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 1hdn s GLU 5 CO -0.03 0.18 -0.15 0.14 -0.54 0.00 0.00 175.26 174.85 1hdn s VAL 6 N 0.69 1.20 -0.59 3.70 -7.23 0.09 -4.98 120.40 113.27 1hdn s VAL 6 Ca 0.12 -0.63 -0.23 0.00 -1.81 0.00 0.00 61.98 59.43 1hdn s VAL 6 Cb -0.13 -1.01 0.06 0.00 0.56 0.00 0.00 36.38 35.86 1hdn s VAL 6 CO 0.03 0.34 0.90 -0.89 -0.31 0.00 0.00 175.10 175.17 1hdn s THR 7 N -0.25 4.43 -0.63 5.32 2.01 -1.26 -1.03 115.64 124.23 1hdn s THR 7 Ca 0.04 -0.12 -0.25 0.00 0.31 0.00 0.00 61.69 61.67 1hdn s THR 7 Cb -0.07 -4.57 0.05 0.00 0.01 0.00 0.00 72.50 67.92 1hdn s THR 7 CO -0.00 -1.22 1.05 -0.63 -0.69 0.00 0.00 174.62 173.13 1hdn s ILE 8 N 3.80 4.18 -0.31 1.82 -1.09 0.24 -4.85 121.20 124.99 1hdn s ILE 8 Ca 0.24 0.18 0.09 0.00 -2.23 0.00 0.00 60.65 58.94 1hdn s ILE 8 Cb -0.15 -4.69 0.23 0.00 -1.58 0.00 0.00 42.46 36.26 1hdn s ILE 8 CO 0.14 -1.41 1.17 0.35 -1.23 0.00 0.00 174.94 173.96 1hdn n THR 9 N 6.21 1.39 -2.37 2.92 -2.24 -1.26 -0.92 114.28 118.01 1hdn n THR 9 Ca 0.01 -1.40 -0.41 0.00 -2.27 0.00 0.00 64.05 59.98 1hdn n THR 9 Cb 0.47 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1hdn n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hdn s ALA 10 N -1.68 3.44 0.22 6.98 0.00 -1.26 -4.71 121.76 124.74 1hdn s ALA 10 Ca 0.20 0.95 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 1hdn s ALA 10 Cb 0.15 -3.42 0.22 0.00 0.00 0.00 0.00 23.12 20.06 1hdn s ALA 10 CO 0.06 -0.39 1.57 -1.35 0.00 0.00 0.00 175.76 175.65 1hdn h PRO 11 N 5.53 -0.06 0.06 0.00 0.11 -1.96 -2.53 132.00 133.16 1hdn h PRO 11 Ca -0.44 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.30 1hdn h PRO 11 Cb 1.21 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1hdn h PRO 11 CO 0.76 -0.04 -2.23 0.09 -0.21 0.00 0.00 178.00 176.37 1hdn n ASN 12 N -5.47 1.95 0.00 -2.05 4.13 -1.26 -3.31 115.26 109.25 1hdn n ASN 12 Ca 0.08 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1hdn n ASN 12 Cb 0.39 -0.56 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 1hdn n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hdn n GLY 13 N 2.10 1.99 2.79 7.41 0.00 -0.96 -4.05 105.19 114.46 1hdn n GLY 13 Ca -0.38 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1hdn n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hdn n LEU 14 N 0.00 4.51 0.00 0.99 4.32 -0.15 -4.80 117.00 121.88 1hdn n LEU 14 Ca 0.00 -5.29 0.00 0.00 -0.02 0.00 0.00 56.01 50.70 1hdn n LEU 14 Cb 0.00 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 40.86 1hdn n LEU 14 CO 0.00 1.81 0.00 0.00 -1.22 0.00 0.00 177.39 177.98 1hdn n HIS 15 N 1.43 -1.98 -0.20 -1.77 1.44 -1.26 -4.58 115.22 108.30 1hdn n HIS 15 Ca 0.26 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.97 1hdn n HIS 15 Cb 0.37 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.59 1hdn n HIS 15 CO 0.00 0.00 0.00 1.79 -2.81 0.00 0.00 176.34 175.32 1hdn h THR 16 N -0.47 0.73 0.24 0.61 1.35 -1.98 -0.16 112.91 113.24 1hdn h THR 16 Ca 0.00 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 1hdn h THR 16 Cb 0.00 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 66.77 1hdn h THR 16 CO 0.00 0.07 -0.11 -0.09 -0.25 0.00 0.00 175.52 175.13 1hdn h ARG 17 N 0.36 -0.31 -0.89 4.72 2.43 -1.98 0.46 114.38 119.17 1hdn h ARG 17 Ca 0.31 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.58 1hdn h ARG 17 Cb 0.40 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 1hdn h ARG 17 CO -0.33 0.06 0.58 -1.35 -1.51 0.00 0.00 179.97 177.42 1hdn h PRO 18 N -0.83 0.91 0.60 0.20 0.11 -1.82 -0.85 132.00 130.30 1hdn h PRO 18 Ca -0.03 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 1hdn h PRO 18 Cb 0.51 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.42 1hdn h PRO 18 CO 0.05 0.60 -0.29 0.00 -0.21 0.00 0.00 178.00 178.16 1hdn h ALA 19 N 1.54 -0.80 -0.95 -0.75 0.00 -1.03 -1.03 119.26 116.24 1hdn h ALA 19 Ca 0.40 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1hdn h ALA 19 Cb 0.32 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 1hdn h ALA 19 CO -0.16 -0.93 0.57 0.00 0.00 0.00 0.00 179.25 178.72 1hdn h ALA 20 N -0.44 1.45 0.45 0.00 0.00 -0.58 0.18 119.26 120.32 1hdn h ALA 20 Ca -0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1hdn h ALA 20 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1hdn h ALA 20 CO 0.13 0.10 -0.44 1.96 0.00 0.00 0.00 179.25 181.01 1hdn h GLN 21 N 0.86 -0.87 -0.32 0.00 4.20 -1.06 -0.48 115.11 117.44 1hdn h GLN 21 Ca 0.49 0.06 0.06 0.00 0.06 0.00 0.00 58.65 59.32 1hdn h GLN 21 Cb 0.58 0.20 -0.06 0.00 0.30 0.00 0.00 27.48 28.50 1hdn h GLN 21 CO -0.30 -0.58 -0.03 0.35 -0.67 0.00 0.00 178.83 177.60 1hdn h PHE 22 N -0.90 -0.07 0.20 2.96 3.04 -0.36 -1.16 116.94 120.65 1hdn h PHE 22 Ca -0.05 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1hdn h PHE 22 Cb 0.79 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 1hdn h PHE 22 CO -0.23 -0.09 -0.19 0.28 -2.02 0.00 0.00 178.31 176.07 1hdn h VAL 23 N 0.06 0.59 -0.17 1.41 2.07 -0.97 0.60 116.25 119.84 1hdn h VAL 23 Ca 0.16 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1hdn h VAL 23 Cb 0.22 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1hdn h VAL 23 CO -0.29 0.00 0.07 0.50 0.02 0.00 0.00 177.57 177.87 1hdn h LYS 24 N -0.41 0.15 -0.42 1.57 3.64 -0.58 -0.12 116.57 120.39 1hdn h LYS 24 Ca -0.00 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1hdn h LYS 24 Cb 0.39 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1hdn h LYS 24 CO -0.04 0.10 -0.23 1.49 -2.27 0.00 0.00 179.45 178.49 1hdn h GLU 25 N 0.15 0.90 -0.98 1.90 4.57 -1.08 -2.44 114.58 117.59 1hdn h GLU 25 Ca 0.07 -0.41 0.04 0.00 -1.18 0.00 0.00 59.36 57.89 1hdn h GLU 25 Cb 0.03 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.54 1hdn h GLU 25 CO -0.06 1.06 0.64 0.00 -1.18 0.00 0.00 179.01 179.46 1hdn h ALA 26 N 0.82 1.39 -0.14 2.92 0.00 -0.79 -2.05 119.26 121.41 1hdn h ALA 26 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1hdn h ALA 26 Cb 0.81 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1hdn h ALA 26 CO 0.07 0.51 -0.17 0.87 0.00 0.00 0.00 179.25 180.53 1hdn h LYS 27 N 1.21 0.23 -0.76 0.00 1.57 -0.68 -2.36 116.57 115.78 1hdn h LYS 27 Ca 0.40 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 1hdn h LYS 27 Cb 0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1hdn h LYS 27 CO -0.13 0.40 0.36 0.78 -0.57 0.00 0.00 179.45 180.29 1hdn h GLY 28 N 0.80 1.18 -5.17 3.86 0.00 -0.92 -3.43 103.07 99.40 1hdn h GLY 28 Ca 0.04 -0.59 -0.56 0.00 0.00 0.00 0.00 47.33 46.22 1hdn h GLY 28 CO 0.03 0.56 0.98 -1.36 0.00 0.00 0.00 176.54 176.75 1hdn s PHE 29 N -5.69 2.43 0.27 5.60 0.08 -0.89 -4.93 117.98 114.86 1hdn s PHE 29 Ca -0.13 0.59 -0.03 0.00 0.12 0.00 0.00 56.93 57.49 1hdn s PHE 29 Cb 0.15 -3.72 0.37 0.00 -0.57 0.00 0.00 43.02 39.25 1hdn s PHE 29 CO 0.82 -2.83 1.87 1.79 -0.10 0.00 0.00 175.22 176.77 1hdn h THR 30 N 5.46 1.23 -4.17 0.64 1.35 -1.84 -3.44 112.91 112.14 1hdn h THR 30 Ca -0.34 -0.66 -0.54 0.00 -0.55 0.00 0.00 66.41 64.32 1hdn h THR 30 Cb 1.15 0.35 0.16 0.00 -1.73 0.00 0.00 68.15 68.08 1hdn h THR 30 CO 0.95 0.27 0.41 -0.44 -0.25 0.00 0.00 175.52 176.47 1hdn s SER 31 N -6.43 4.14 -0.09 5.36 0.01 -1.26 -4.99 113.70 110.44 1hdn s SER 31 Ca -0.11 2.43 -0.12 0.00 1.31 0.00 0.00 55.95 59.46 1hdn s SER 31 Cb 0.16 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 1hdn s SER 31 CO 0.81 -2.31 0.28 -0.70 0.41 0.00 0.00 173.24 171.73 1hdn s GLU 32 N -3.83 3.85 -0.30 12.44 2.56 -0.24 -4.93 118.70 128.24 1hdn s GLU 32 Ca 0.76 0.13 0.02 0.00 0.00 0.00 0.00 54.97 55.87 1hdn s GLU 32 Cb -0.31 -3.27 0.07 0.00 2.00 0.00 0.00 34.13 32.62 1hdn s GLU 32 CO 0.45 0.59 -0.01 0.42 -0.56 0.00 0.00 175.26 176.15 1hdn s ILE 33 N -0.61 2.47 -0.15 -3.70 -1.09 -1.26 -1.55 121.20 115.31 1hdn s ILE 33 Ca 0.18 -1.82 -0.09 0.00 -2.23 0.00 0.00 60.65 56.69 1hdn s ILE 33 Cb -0.14 -2.57 -0.05 0.00 -1.58 0.00 0.00 42.46 38.12 1hdn s ILE 33 CO 0.07 -0.26 0.17 -0.89 -1.23 0.00 0.00 174.94 172.79 1hdn s THR 34 N 1.08 5.42 -0.26 2.92 2.01 0.43 -2.22 115.64 125.02 1hdn s THR 34 Ca -0.01 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.28 1hdn s THR 34 Cb -0.20 -3.47 0.06 0.00 0.01 0.00 0.00 72.50 68.90 1hdn s THR 34 CO -0.05 0.51 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.60 1hdn s VAL 35 N -0.25 2.22 -0.20 3.82 1.01 -0.80 -0.49 120.40 125.71 1hdn s VAL 35 Ca 0.12 -1.58 -0.02 0.00 0.00 0.00 0.00 61.98 60.51 1hdn s VAL 35 Cb -0.12 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1hdn s VAL 35 CO 0.02 -0.00 -0.11 -0.89 0.00 0.00 0.00 175.10 174.11 1hdn s THR 36 N 1.12 2.79 -0.43 3.92 2.01 -0.33 0.29 115.64 125.02 1hdn s THR 36 Ca -0.08 -0.70 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 1hdn s THR 36 Cb -0.20 -2.24 0.11 0.00 0.01 0.00 0.00 72.50 70.19 1hdn s THR 36 CO -0.05 0.47 0.24 -0.55 -0.69 0.00 0.00 174.62 174.03 1hdn s SER 37 N 1.39 5.34 -0.17 3.53 0.15 -0.90 -1.37 113.70 121.68 1hdn s SER 37 Ca 0.05 -2.03 -0.15 0.00 0.70 0.00 0.00 55.95 54.53 1hdn s SER 37 Cb -0.14 -1.86 0.02 0.00 -1.71 0.00 0.00 66.02 62.33 1hdn s SER 37 CO -0.08 -0.57 0.25 -0.46 1.20 0.00 0.00 173.24 173.58 1hdn n ASN 38 N 4.63 -4.96 0.00 5.45 0.23 -1.26 -2.72 115.26 116.63 1hdn n ASN 38 Ca -0.03 0.11 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 1hdn n ASN 38 Cb 0.41 -1.29 0.00 0.00 -2.08 0.00 0.00 39.78 36.82 1hdn n ASN 38 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hdn n GLY 39 N 0.56 1.01 3.65 4.83 0.00 -1.26 -4.91 105.19 109.07 1hdn n GLY 39 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1hdn n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hdn s LYS 40 N 0.00 4.14 0.16 1.61 3.01 -1.10 -5.08 119.74 122.48 1hdn s LYS 40 Ca 0.00 0.29 0.08 0.00 -1.01 0.00 0.00 55.97 55.33 1hdn s LYS 40 Cb 0.00 -3.59 -0.04 0.00 -1.01 0.00 0.00 37.83 33.19 1hdn s LYS 40 CO 0.00 -0.18 -0.07 -1.54 0.51 0.00 0.00 175.35 174.07 1hdn s SER 41 N 1.26 4.43 0.16 2.83 1.04 -1.26 -2.11 113.70 120.05 1hdn s SER 41 Ca 0.21 -0.48 0.09 0.00 0.48 0.00 0.00 55.95 56.24 1hdn s SER 41 Cb -0.15 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.10 1hdn s SER 41 CO 0.09 0.12 -0.12 0.00 0.98 0.00 0.00 173.24 174.30 1hdn s ALA 42 N -1.60 2.86 -0.41 5.32 0.00 0.15 -5.00 121.76 123.07 1hdn s ALA 42 Ca 0.25 -1.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.68 1hdn s ALA 42 Cb -0.09 -0.71 0.07 0.00 0.00 0.00 0.00 23.12 22.39 1hdn s ALA 42 CO 0.16 0.51 0.26 0.45 0.00 0.00 0.00 175.76 177.14 1hdn s SER 43 N -2.60 5.69 0.42 0.00 0.15 -0.86 -1.91 113.70 114.59 1hdn s SER 43 Ca 0.23 -1.40 0.09 0.00 0.70 0.00 0.00 55.95 55.57 1hdn s SER 43 Cb -0.09 -2.01 0.88 0.00 -1.71 0.00 0.00 66.02 63.09 1hdn s SER 43 CO 0.14 -0.52 2.02 0.00 1.20 0.00 0.00 173.24 176.08 1hdn h ALA 44 N 8.44 1.67 0.00 5.45 0.00 -1.74 -2.74 119.26 130.34 1hdn h ALA 44 Ca -0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1hdn h ALA 44 Cb 1.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1hdn h ALA 44 CO 0.75 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.89 1hdn n LYS 45 N -4.41 0.57 -3.71 0.00 5.02 -1.26 -3.96 118.16 110.40 1hdn n LYS 45 Ca 0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 1hdn n LYS 45 Cb 0.14 -1.26 -0.14 0.00 -0.02 0.00 0.00 35.03 33.75 1hdn n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hdn s SER 46 N -0.53 0.09 0.13 4.39 0.15 -1.04 -4.96 113.70 111.94 1hdn s SER 46 Ca 0.00 0.44 -0.24 0.00 0.70 0.00 0.00 55.95 56.85 1hdn s SER 46 Cb 0.00 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1hdn s SER 46 CO 0.00 -0.19 1.65 -0.07 1.20 0.00 0.00 173.24 175.83 1hdn h LEU 47 N 7.65 -0.66 0.44 3.45 3.38 -1.85 0.90 115.31 128.62 1hdn h LEU 47 Ca -0.31 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1hdn h LEU 47 Cb 1.14 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 1hdn h LEU 47 CO 0.30 -0.27 -0.50 0.15 0.09 0.00 0.00 178.44 178.20 1hdn h PHE 48 N -0.30 -1.41 0.00 1.13 3.57 -1.97 0.42 116.94 118.38 1hdn h PHE 48 Ca 0.08 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1hdn h PHE 48 Cb 0.42 0.55 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1hdn h PHE 48 CO -0.29 -0.65 0.00 0.87 -2.23 0.00 0.00 178.31 176.00 1hdn h LYS 49 N -0.96 0.00 0.00 1.11 1.57 -1.75 -0.39 116.57 116.15 1hdn h LYS 49 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1hdn h LYS 49 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1hdn h LYS 49 CO -0.09 0.00 -0.03 1.25 -0.57 0.00 0.00 179.45 180.01 1hdn h LEU 50 N 0.00 0.00 -2.35 2.94 5.85 -0.69 -2.29 115.31 118.78 1hdn h LEU 50 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1hdn h LEU 50 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1hdn h LEU 50 CO 0.00 0.22 0.00 1.56 -0.34 0.00 0.00 178.44 179.88 1hdn h GLN 51 N -0.42 0.00 -0.81 1.25 4.20 -0.59 -1.43 115.11 117.30 1hdn h GLN 51 Ca 0.00 0.00 0.24 0.00 0.06 0.00 0.00 58.65 58.95 1hdn h GLN 51 Cb 0.03 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1hdn h GLN 51 CO 0.00 0.00 0.62 0.00 -0.67 0.00 0.00 178.83 178.78 1hdn h THR 52 N 0.00 0.52 -3.48 -0.54 1.03 -1.28 -3.41 112.91 105.75 1hdn h THR 52 Ca 0.00 0.00 -0.53 0.00 -0.01 0.00 0.00 66.41 65.87 1hdn h THR 52 Cb 0.17 0.56 -0.03 0.00 -1.07 0.00 0.00 68.15 67.78 1hdn h THR 52 CO 0.00 0.00 0.16 -0.76 -0.01 0.00 0.00 175.52 174.91 1hdn s LEU 53 N -8.33 4.57 -1.32 0.00 1.02 -0.54 -5.01 118.68 109.08 1hdn s LEU 53 Ca -0.05 1.58 -0.17 0.00 0.02 0.00 0.00 54.13 55.51 1hdn s LEU 53 Cb 0.20 -3.25 0.03 0.00 0.02 0.00 0.00 46.19 43.20 1hdn s LEU 53 CO 0.73 0.19 1.97 0.61 0.02 0.00 0.00 176.35 179.87 1hdn n GLY 54 N 1.70 3.20 3.50 -3.19 0.00 -1.26 -4.88 105.19 104.26 1hdn n GLY 54 Ca -0.06 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1hdn n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hdn n LEU 55 N 7.87 5.13 0.00 0.99 4.77 -1.26 -4.83 117.00 129.67 1hdn n LEU 55 Ca 0.50 -4.00 0.00 0.00 -0.03 0.00 0.00 56.01 52.48 1hdn n LEU 55 Cb 0.43 -1.73 0.00 0.00 -2.33 0.00 0.00 43.42 39.79 1hdn n LEU 55 CO 0.84 0.29 0.00 1.07 -1.33 0.00 0.00 177.39 178.26 1hdn n THR 56 N 6.09 0.00 -2.56 -5.08 5.66 -1.26 -0.98 114.28 116.16 1hdn n THR 56 Ca 0.48 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 61.05 1hdn n THR 56 Cb 0.45 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.21 1hdn n THR 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hdn s GLN 57 N 1.46 4.26 0.00 1.09 -2.07 -1.17 -3.59 119.66 119.65 1hdn s GLN 57 Ca 0.00 1.50 0.00 0.00 -1.82 0.00 0.00 55.36 55.04 1hdn s GLN 57 Cb 0.00 -3.68 0.00 0.00 -1.09 0.00 0.00 33.01 28.24 1hdn s GLN 57 CO 0.00 -0.64 0.00 0.41 -1.32 0.00 0.00 175.29 173.74 1hdn n GLY 58 N 3.43 1.02 3.15 2.60 0.00 -0.10 -4.95 105.19 110.35 1hdn n GLY 58 Ca 0.13 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1hdn n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hdn s THR 59 N -2.31 4.11 -0.58 2.61 2.01 -0.14 -4.97 115.64 116.37 1hdn s THR 59 Ca 0.00 -2.70 -0.27 0.00 0.31 0.00 0.00 61.69 59.03 1hdn s THR 59 Cb 0.00 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1hdn s THR 59 CO 0.00 -0.89 1.54 0.54 -0.69 0.00 0.00 174.62 175.13 1hdn s VAL 60 N 0.19 3.64 -0.04 3.82 0.11 -1.26 -0.59 120.40 126.27 1hdn s VAL 60 Ca 0.16 0.50 0.06 0.00 -2.93 0.00 0.00 61.98 59.77 1hdn s VAL 60 Cb -0.19 -4.31 -0.01 0.00 -1.53 0.00 0.00 36.38 30.34 1hdn s VAL 60 CO -0.04 -1.13 -0.22 0.54 -3.33 0.00 0.00 175.10 170.92 1hdn s VAL 61 N 6.87 1.78 -0.21 2.04 0.11 -0.19 -4.20 120.40 126.59 1hdn s VAL 61 Ca 0.56 -0.93 -0.11 0.00 -2.93 0.00 0.00 61.98 58.57 1hdn s VAL 61 Cb -0.12 -1.49 -0.05 0.00 -1.53 0.00 0.00 36.38 33.19 1hdn s VAL 61 CO 0.23 0.50 0.16 -0.89 -3.33 0.00 0.00 175.10 171.77 1hdn s THR 62 N -0.28 5.38 -0.42 5.04 2.01 -0.47 -0.73 115.64 126.17 1hdn s THR 62 Ca 0.02 0.23 -0.14 0.00 0.31 0.00 0.00 61.69 62.11 1hdn s THR 62 Cb -0.11 -3.50 0.04 0.00 0.01 0.00 0.00 72.50 68.95 1hdn s THR 62 CO 0.01 0.41 0.30 -0.63 -0.69 0.00 0.00 174.62 174.02 1hdn s ILE 63 N 0.56 5.01 -0.15 1.82 -1.09 0.02 -1.18 121.20 126.20 1hdn s ILE 63 Ca 0.09 -0.87 -0.01 0.00 -2.23 0.00 0.00 60.65 57.62 1hdn s ILE 63 Cb -0.12 -3.87 -0.01 0.00 -1.58 0.00 0.00 42.46 36.88 1hdn s ILE 63 CO 0.00 -0.38 -0.11 -0.44 -1.23 0.00 0.00 174.94 172.78 1hdn s SER 64 N 1.92 4.09 -0.17 3.58 0.01 0.36 -1.27 113.70 122.22 1hdn s SER 64 Ca 0.04 -0.33 -0.00 0.00 1.31 0.00 0.00 55.95 56.97 1hdn s SER 64 Cb -0.21 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.39 1hdn s SER 64 CO 0.08 0.14 -0.15 0.00 0.41 0.00 0.00 173.24 173.71 1hdn s ALA 65 N 0.52 2.48 -0.07 1.44 0.00 0.24 -0.42 121.76 125.94 1hdn s ALA 65 Ca -0.08 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1hdn s ALA 65 Cb -0.15 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 1hdn s ALA 65 CO 0.04 -0.21 -0.15 -1.83 0.00 0.00 0.00 175.76 173.61 1hdn s GLU 66 N 1.09 2.74 0.00 0.00 -1.05 -0.59 -1.82 118.70 119.05 1hdn s GLU 66 Ca -0.00 -0.72 0.00 0.00 -0.15 0.00 0.00 54.97 54.10 1hdn s GLU 66 Cb -0.14 -2.42 0.00 0.00 -0.44 0.00 0.00 34.13 31.13 1hdn s GLU 66 CO -0.05 0.49 0.00 0.41 0.95 0.00 0.00 175.26 177.06 1hdn n GLY 67 N 2.70 0.12 0.08 -3.83 0.00 -1.26 -1.08 105.19 101.93 1hdn n GLY 67 Ca -0.17 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.30 1hdn n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hdn h GLU 68 N 0.00 -0.18 -1.98 1.61 5.08 -1.96 -3.36 114.58 113.79 1hdn h GLU 68 Ca 0.00 0.01 -0.56 0.00 -1.00 0.00 0.00 59.36 57.81 1hdn h GLU 68 Cb 0.00 0.04 -0.20 0.00 0.50 0.00 0.00 28.75 29.09 1hdn h GLU 68 CO 0.00 -0.12 0.55 -0.25 -1.00 0.00 0.00 179.01 178.19 1hdn n ASP 69 N -3.02 6.73 -0.21 1.42 8.00 -1.26 -4.74 116.55 123.46 1hdn n ASP 69 Ca -0.02 -3.35 0.00 0.00 0.71 0.00 0.00 54.79 52.13 1hdn n ASP 69 Cb 0.08 -1.19 0.12 0.00 -0.02 0.00 0.00 41.12 40.10 1hdn n ASP 69 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1hdn h GLU 70 N 2.96 0.44 0.46 -1.24 4.11 -1.84 0.78 114.58 120.25 1hdn h GLU 70 Ca 0.43 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.81 1hdn h GLU 70 Cb 0.56 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1hdn h GLU 70 CO 1.01 0.29 -0.22 0.37 0.07 0.00 0.00 179.01 180.53 1hdn h GLN 71 N 0.46 -0.59 -0.52 1.06 5.75 -1.90 -3.27 115.11 116.09 1hdn h GLN 71 Ca 0.32 0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.96 1hdn h GLN 71 Cb 0.38 0.13 -0.10 0.00 1.07 0.00 0.00 27.48 28.96 1hdn h GLN 71 CO -0.30 -0.39 -0.22 -0.22 -2.65 0.00 0.00 178.83 175.05 1hdn h LYS 72 N -0.96 -0.09 -0.21 1.69 3.64 -1.87 -1.79 116.57 116.97 1hdn h LYS 72 Ca -0.06 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1hdn h LYS 72 Cb 0.47 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1hdn h LYS 72 CO 0.10 -0.06 0.11 0.00 -2.27 0.00 0.00 179.45 177.33 1hdn h ALA 73 N 1.28 0.25 0.32 5.00 0.00 -1.01 -1.49 119.26 123.61 1hdn h ALA 73 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1hdn h ALA 73 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1hdn h ALA 73 CO -0.59 -0.30 -0.16 0.28 0.00 0.00 0.00 179.25 178.49 1hdn h VAL 74 N 0.23 0.70 -0.56 0.00 2.07 -1.43 -1.15 116.25 116.12 1hdn h VAL 74 Ca 0.08 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.44 1hdn h VAL 74 Cb 0.01 0.85 -0.11 0.00 -1.52 0.00 0.00 31.29 30.52 1hdn h VAL 74 CO -0.05 0.06 -0.16 -0.08 0.02 0.00 0.00 177.57 177.36 1hdn h GLU 75 N -0.58 -0.02 -0.59 1.57 4.81 -1.29 0.18 114.58 118.66 1hdn h GLU 75 Ca -0.04 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1hdn h GLU 75 Cb 0.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1hdn h GLU 75 CO 0.07 -0.01 0.10 1.25 -0.73 0.00 0.00 179.01 179.69 1hdn h HIS 76 N -0.02 1.03 0.00 0.92 2.76 -1.14 -0.53 115.15 118.16 1hdn h HIS 76 Ca 0.27 -0.14 -0.09 0.00 -2.20 0.00 0.00 60.37 58.20 1hdn h HIS 76 Cb 0.43 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1hdn h HIS 76 CO -0.48 0.89 -0.47 -0.07 -1.30 0.00 0.00 177.93 176.50 1hdn h LEU 77 N 0.87 0.00 -0.26 0.26 3.38 -0.49 -1.76 115.31 117.31 1hdn h LEU 77 Ca 0.18 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1hdn h LEU 77 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1hdn h LEU 77 CO 0.01 0.45 -0.42 0.58 0.09 0.00 0.00 178.44 179.15 1hdn h VAL 78 N 0.00 1.30 -0.33 1.22 2.07 -0.46 -1.14 116.25 118.92 1hdn h VAL 78 Ca -0.01 -1.62 0.07 0.00 0.82 0.00 0.00 66.70 65.96 1hdn h VAL 78 Cb 1.35 1.69 -0.07 0.00 -1.52 0.00 0.00 31.29 32.74 1hdn h VAL 78 CO 0.06 0.52 -0.12 0.50 0.02 0.00 0.00 177.57 178.54 1hdn h LYS 79 N 0.49 -0.05 -0.32 1.57 3.64 -1.08 0.33 116.57 121.14 1hdn h LYS 79 Ca 0.02 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1hdn h LYS 79 Cb 1.02 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.79 1hdn h LYS 79 CO 0.10 -0.04 -0.08 1.25 -2.27 0.00 0.00 179.45 178.41 1hdn h LEU 80 N -0.05 -0.29 -1.63 5.20 6.46 -1.29 -1.63 115.31 122.08 1hdn h LEU 80 Ca 0.17 0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 1hdn h LEU 80 Cb 0.31 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1hdn h LEU 80 CO -0.37 -0.10 -0.19 0.24 -0.62 0.00 0.00 178.44 177.39 1hdn h MET 81 N 0.00 0.00 0.06 1.25 2.86 -0.74 -3.13 114.93 115.23 1hdn h MET 81 Ca 0.15 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1hdn h MET 81 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1hdn h MET 81 CO -0.33 0.19 -0.03 0.00 1.06 0.00 0.00 176.91 177.81 1hdn h ALA 82 N 1.81 -0.07 -0.13 6.32 0.00 -0.33 -3.40 119.26 123.45 1hdn h ALA 82 Ca -0.00 -0.27 -0.69 0.00 0.00 0.00 0.00 54.91 53.95 1hdn h ALA 82 Cb 0.35 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1hdn h ALA 82 CO 0.03 -0.25 3.55 0.39 0.00 0.00 0.00 179.25 182.96 1hdn n GLU 83 N -4.86 3.86 -5.08 0.00 1.02 -0.67 -4.90 120.64 110.01 1hdn n GLU 83 Ca -0.09 -2.47 -0.32 0.00 -0.02 0.00 0.00 57.16 54.26 1hdn n GLU 83 Cb 0.28 -2.78 -0.15 0.00 -0.02 0.00 0.00 31.44 28.77 1hdn n GLU 83 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hdn s LEU 84 N -0.23 2.41 0.00 -4.62 1.43 -1.26 -4.96 118.68 111.45 1hdn s LEU 84 Ca 0.66 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1hdn s LEU 84 Cb 0.18 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.94 1hdn s LEU 84 CO -0.07 0.31 0.05 -0.62 0.23 0.00 0.00 176.35 176.26