#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 0.42 -0.00 1.12 5.36 -0.25 -5.01 117.98 119.62 1hdn s PHE 2 Ca 0.00 -0.15 0.03 0.00 -0.96 0.00 0.00 56.93 55.85 1hdn s PHE 2 Cb 0.00 -0.27 -0.01 0.00 -0.34 0.00 0.00 43.02 42.40 1hdn s PHE 2 CO 0.00 -0.02 -0.10 -0.65 -1.46 0.00 0.00 175.22 172.98 1hdn s GLN 3 N -0.38 0.82 -0.06 10.12 -0.21 -1.26 -0.65 119.66 128.03 1hdn s GLN 3 Ca -0.01 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 54.95 1hdn s GLN 3 Cb -0.03 -0.79 0.02 0.00 1.00 0.00 0.00 33.01 33.21 1hdn s GLN 3 CO -0.00 0.21 -0.04 -1.14 -2.12 0.00 0.00 175.29 172.21 1hdn s GLN 4 N -0.39 0.88 -0.36 2.91 2.00 -0.58 -5.03 119.66 119.09 1hdn s GLN 4 Ca 0.03 -0.06 -0.29 0.00 -2.00 0.00 0.00 55.36 53.04 1hdn s GLN 4 Cb -0.05 -1.01 0.00 0.00 0.80 0.00 0.00 33.01 32.76 1hdn s GLN 4 CO -0.00 -0.18 1.44 -2.00 -0.50 0.00 0.00 175.29 174.05 1hdn s GLU 5 N 1.38 3.65 -0.01 1.67 2.12 -1.26 -2.67 118.70 123.58 1hdn s GLU 5 Ca -0.04 1.11 0.04 0.00 0.36 0.00 0.00 54.97 56.45 1hdn s GLU 5 Cb -0.13 -4.01 -0.01 0.00 0.26 0.00 0.00 34.13 30.24 1hdn s GLU 5 CO -0.03 -1.47 -0.14 0.08 -0.54 0.00 0.00 175.26 173.16 1hdn s VAL 6 N 5.30 1.13 0.10 3.70 1.01 -1.21 -5.02 120.40 125.40 1hdn s VAL 6 Ca 0.63 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1hdn s VAL 6 Cb -0.16 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1hdn s VAL 6 CO 0.30 0.30 -0.11 0.42 0.00 0.00 0.00 175.10 176.02 1hdn s THR 7 N -0.37 3.32 -0.12 3.92 -4.23 -1.26 -0.16 115.64 116.74 1hdn s THR 7 Ca 0.05 -1.26 -0.30 0.00 -1.18 0.00 0.00 61.69 59.01 1hdn s THR 7 Cb -0.06 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 1hdn s THR 7 CO -0.00 0.14 1.13 -0.63 -0.54 0.00 0.00 174.62 174.71 1hdn s ILE 8 N -1.19 4.48 -0.13 2.99 1.01 -0.88 -4.92 121.20 122.56 1hdn s ILE 8 Ca 0.21 1.78 0.03 0.00 0.00 0.00 0.00 60.65 62.67 1hdn s ILE 8 Cb -0.11 -4.14 -0.24 0.00 0.01 0.00 0.00 42.46 37.98 1hdn s ILE 8 CO 0.13 -0.06 0.31 0.35 0.00 0.00 0.00 174.94 175.67 1hdn n THR 9 N 4.86 1.64 -2.58 2.92 -2.24 -1.26 -0.31 114.28 117.30 1hdn n THR 9 Ca 0.11 -0.71 -0.41 0.00 -2.27 0.00 0.00 64.05 60.77 1hdn n THR 9 Cb 0.47 -1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 67.32 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 -2.55 3.31 0.11 6.98 0.00 -1.26 -4.85 121.76 123.49 1hdn s ALA 10 Ca -0.18 0.72 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 1hdn s ALA 10 Cb 0.07 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1hdn s ALA 10 CO 0.76 -0.19 1.74 -1.35 0.00 0.00 0.00 175.76 176.72 1hdn h PRO 11 N 5.69 0.06 -0.24 0.00 0.11 -1.95 -2.14 132.00 133.54 1hdn h PRO 11 Ca -0.43 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 1hdn h PRO 11 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1hdn h PRO 11 CO 0.74 0.04 -0.15 -2.95 -0.21 0.00 0.00 178.00 175.47 1hdn h ASN 12 N 0.06 0.54 0.00 -2.05 -1.07 -1.94 -3.24 115.58 107.88 1hdn h ASN 12 Ca 0.05 -0.43 0.00 0.00 0.07 0.00 0.00 56.30 55.99 1hdn h ASN 12 Cb 0.04 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.14 1hdn h ASN 12 CO -0.07 0.86 0.00 0.61 0.07 0.00 0.00 177.43 178.90 1hdn n GLY 13 N 0.04 1.79 2.53 9.14 0.00 -1.14 -3.67 105.19 113.88 1hdn n GLY 13 Ca -0.04 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 1hdn n GLY 13 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1hdn n LEU 14 N 0.00 7.64 0.00 0.99 7.94 -0.96 -4.90 117.00 127.71 1hdn n LEU 14 Ca 0.00 -4.85 0.00 0.00 -1.11 0.00 0.00 56.01 50.05 1hdn n LEU 14 Cb 0.00 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 42.66 1hdn n LEU 14 CO 0.00 1.99 0.00 0.00 -1.11 0.00 0.00 177.39 178.27 1hdn n HIS 15 N 1.13 -1.03 -0.06 1.96 1.44 -1.24 -4.24 115.22 113.18 1hdn n HIS 15 Ca 0.57 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 56.15 1hdn n HIS 15 Cb 0.30 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.32 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 -0.67 0.00 -0.04 0.61 1.35 -1.91 0.05 112.91 112.30 1hdn h THR 16 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1hdn h THR 16 Cb 0.00 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1hdn h THR 16 CO 0.00 0.00 0.01 0.08 -0.25 0.00 0.00 175.52 175.36 1hdn h ARG 17 N -0.45 0.07 -0.74 4.72 0.11 -1.93 -2.63 114.38 113.53 1hdn h ARG 17 Ca 0.04 -0.02 0.02 0.00 0.10 0.00 0.00 59.98 60.13 1hdn h ARG 17 Cb 0.58 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.61 1hdn h ARG 17 CO -0.46 0.29 0.48 -1.35 0.10 0.00 0.00 179.97 179.03 1hdn h PRO 18 N -0.16 0.94 -0.75 0.08 0.11 -1.78 -2.89 132.00 127.56 1hdn h PRO 18 Ca 0.01 -0.06 0.09 0.00 0.11 0.00 0.00 66.00 66.16 1hdn h PRO 18 Cb 0.25 -0.21 -0.07 0.00 0.11 0.00 0.00 31.00 31.08 1hdn h PRO 18 CO 0.00 0.62 0.40 0.00 -0.21 0.00 0.00 178.00 178.81 1hdn h ALA 19 N 1.29 1.04 -0.31 -0.75 0.00 -0.93 -0.62 119.26 118.98 1hdn h ALA 19 Ca 0.29 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1hdn h ALA 19 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1hdn h ALA 19 CO -0.08 0.02 0.20 0.00 0.00 0.00 0.00 179.25 179.39 1hdn h ALA 20 N 1.43 0.40 -0.39 0.00 0.00 -1.25 -0.30 119.26 119.14 1hdn h ALA 20 Ca 0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1hdn h ALA 20 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1hdn h ALA 20 CO -0.25 -0.15 0.24 1.96 0.00 0.00 0.00 179.25 181.05 1hdn h GLN 21 N 0.41 0.54 -0.53 0.00 4.20 -1.42 -2.86 115.11 115.46 1hdn h GLN 21 Ca 0.12 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.81 1hdn h GLN 21 Cb -0.04 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 1hdn h GLN 21 CO -0.03 0.40 0.30 0.35 -0.67 0.00 0.00 178.83 179.18 1hdn h PHE 22 N 0.52 0.55 -0.40 2.96 3.04 -0.80 -2.40 116.94 120.41 1hdn h PHE 22 Ca 0.14 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.17 1hdn h PHE 22 Cb 0.00 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 38.29 1hdn h PHE 22 CO -0.04 0.29 0.10 0.28 -2.02 0.00 0.00 178.31 176.93 1hdn h VAL 23 N 0.58 0.82 -0.46 1.41 2.07 -0.87 0.30 116.25 120.09 1hdn h VAL 23 Ca 0.22 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.71 1hdn h VAL 23 Cb 0.08 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1hdn h VAL 23 CO -0.13 0.04 0.21 0.50 0.02 0.00 0.00 177.57 178.21 1hdn h LYS 24 N 0.23 0.40 -0.21 1.57 3.11 -1.22 0.76 116.57 121.21 1hdn h LYS 24 Ca 0.19 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.99 1hdn h LYS 24 Cb 0.22 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.35 1hdn h LYS 24 CO -0.24 0.27 0.07 1.49 -2.81 0.00 0.00 179.45 178.23 1hdn h GLU 25 N 0.41 0.32 -0.97 1.90 4.57 -1.02 -3.01 114.58 116.79 1hdn h GLU 25 Ca 0.20 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.40 1hdn h GLU 25 Cb 0.14 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.61 1hdn h GLU 25 CO -0.17 0.40 0.62 0.00 -1.18 0.00 0.00 179.01 178.69 1hdn h ALA 26 N 0.90 1.38 -0.73 2.92 0.00 -0.71 -0.33 119.26 122.69 1hdn h ALA 26 Ca 0.07 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.12 1hdn h ALA 26 Cb 0.21 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1hdn h ALA 26 CO -0.00 0.34 0.49 0.87 0.00 0.00 0.00 179.25 180.95 1hdn h LYS 27 N 1.08 0.36 -0.94 0.00 1.79 -0.72 -2.87 116.57 115.26 1hdn h LYS 27 Ca 0.44 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.81 1hdn h LYS 27 Cb 0.27 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.79 1hdn h LYS 27 CO -0.20 0.24 0.10 0.41 -1.08 0.00 0.00 179.45 178.92 1hdn n GLY 28 N -1.54 2.38 3.25 3.86 0.00 -0.13 -4.76 105.19 108.25 1hdn n GLY 28 Ca 0.14 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1hdn n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hdn s PHE 29 N -1.29 1.77 0.12 1.61 0.08 -1.09 -5.06 117.98 114.12 1hdn s PHE 29 Ca 0.17 -0.38 -0.15 0.00 0.12 0.00 0.00 56.93 56.70 1hdn s PHE 29 Cb 0.14 -1.04 -0.02 0.00 -0.57 0.00 0.00 43.02 41.53 1hdn s PHE 29 CO 0.04 0.10 1.58 1.79 -0.10 0.00 0.00 175.22 178.63 1hdn h THR 30 N 4.34 1.26 -3.59 0.64 1.35 -1.88 -3.45 112.91 111.58 1hdn h THR 30 Ca -0.43 -0.99 -0.57 0.00 -0.55 0.00 0.00 66.41 63.88 1hdn h THR 30 Cb 1.16 1.11 0.17 0.00 -1.73 0.00 0.00 68.15 68.86 1hdn h THR 30 CO 0.43 0.34 0.05 -1.20 -0.25 0.00 0.00 175.52 174.89 1hdn n SER 31 N -4.45 0.43 -4.66 5.36 7.64 -1.26 -4.95 113.62 111.73 1hdn n SER 31 Ca -0.01 0.74 -0.37 0.00 1.01 0.00 0.00 58.87 60.24 1hdn n SER 31 Cb 0.28 -1.37 -0.09 0.00 -1.01 0.00 0.00 64.21 62.02 1hdn n SER 31 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1hdn s GLU 32 N -2.92 4.09 -0.60 1.43 2.12 -0.63 -4.89 118.70 117.30 1hdn s GLU 32 Ca 0.75 -0.13 -0.18 0.00 0.36 0.00 0.00 54.97 55.77 1hdn s GLU 32 Cb -0.39 -3.55 0.12 0.00 0.26 0.00 0.00 34.13 30.57 1hdn s GLU 32 CO 0.49 0.01 0.67 0.42 -0.54 0.00 0.00 175.26 176.31 1hdn s ILE 33 N 1.18 4.95 -0.34 -3.70 1.09 -1.26 -1.40 121.20 121.72 1hdn s ILE 33 Ca 0.11 -1.22 -0.26 0.00 -1.10 0.00 0.00 60.65 58.18 1hdn s ILE 33 Cb -0.14 -4.46 0.01 0.00 -1.06 0.00 0.00 42.46 36.81 1hdn s ILE 33 CO 0.06 -1.08 0.93 -0.89 -0.10 0.00 0.00 174.94 173.87 1hdn s THR 34 N 2.29 4.61 -0.43 2.92 2.01 0.63 -1.15 115.64 126.52 1hdn s THR 34 Ca 0.10 1.33 -0.09 0.00 0.31 0.00 0.00 61.69 63.34 1hdn s THR 34 Cb -0.24 -4.31 0.09 0.00 0.01 0.00 0.00 72.50 68.04 1hdn s THR 34 CO 0.04 -0.46 0.28 -0.69 -0.69 0.00 0.00 174.62 173.10 1hdn s VAL 35 N 3.41 4.28 -0.46 3.82 1.01 0.29 -0.54 120.40 132.21 1hdn s VAL 35 Ca 0.39 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 1hdn s VAL 35 Cb -0.12 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.69 1hdn s VAL 35 CO 0.17 -0.57 0.34 -0.89 0.00 0.00 0.00 175.10 174.15 1hdn s THR 36 N 1.42 4.68 -0.64 3.92 2.01 -0.80 -0.71 115.64 125.53 1hdn s THR 36 Ca 0.04 -1.34 -0.17 0.00 0.31 0.00 0.00 61.69 60.53 1hdn s THR 36 Cb -0.24 -3.88 0.13 0.00 0.01 0.00 0.00 72.50 68.53 1hdn s THR 36 CO 0.02 -0.60 0.68 -0.55 -0.69 0.00 0.00 174.62 173.48 1hdn s SER 37 N 2.51 6.32 -0.42 3.53 0.15 -0.13 -1.31 113.70 124.35 1hdn s SER 37 Ca 0.04 -1.82 -0.34 0.00 0.70 0.00 0.00 55.95 54.52 1hdn s SER 37 Cb -0.25 -2.26 0.05 0.00 -1.71 0.00 0.00 66.02 61.85 1hdn s SER 37 CO 0.03 -0.93 0.60 0.59 1.20 0.00 0.00 173.24 174.73 1hdn n ASN 38 N 5.58 -4.90 0.00 5.45 4.13 -0.57 -2.67 115.26 122.28 1hdn n ASN 38 Ca -0.04 -0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.03 1hdn n ASN 38 Cb 0.43 -1.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.23 1hdn n ASN 38 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hdn n GLY 39 N -0.23 1.69 3.66 7.41 0.00 -1.26 -4.94 105.19 111.51 1hdn n GLY 39 Ca -0.09 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 4.21 -0.07 1.61 1.02 -1.09 -5.00 119.74 120.41 1hdn s LYS 40 Ca 0.00 1.48 0.00 0.00 0.02 0.00 0.00 55.97 57.47 1hdn s LYS 40 Cb 0.00 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 1hdn s LYS 40 CO 0.00 -0.72 -0.06 -1.54 -0.92 0.00 0.00 175.35 172.11 1hdn s SER 41 N 1.71 4.70 -0.01 2.83 1.04 -1.26 -0.96 113.70 121.75 1hdn s SER 41 Ca 0.50 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.94 1hdn s SER 41 Cb -0.18 -1.22 -0.00 0.00 0.10 0.00 0.00 66.02 64.72 1hdn s SER 41 CO 0.12 0.36 -0.08 0.00 0.98 0.00 0.00 173.24 174.61 1hdn s ALA 42 N -0.77 0.72 -0.13 5.32 0.00 0.12 -4.99 121.76 122.03 1hdn s ALA 42 Ca 0.12 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 1hdn s ALA 42 Cb -0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1hdn s ALA 42 CO 0.02 0.16 1.57 0.45 0.00 0.00 0.00 175.76 177.96 1hdn s SER 43 N -0.09 6.61 0.59 0.00 0.15 -1.26 -0.55 113.70 119.15 1hdn s SER 43 Ca 0.02 1.91 0.33 0.00 0.70 0.00 0.00 55.95 58.91 1hdn s SER 43 Cb -0.05 -2.53 1.85 0.00 -1.71 0.00 0.00 66.02 63.58 1hdn s SER 43 CO -0.00 -1.02 2.23 0.00 1.20 0.00 0.00 173.24 175.65 1hdn h ALA 44 N 9.73 1.33 0.00 5.45 0.00 -1.50 -2.06 119.26 132.21 1hdn h ALA 44 Ca -0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1hdn h ALA 44 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1hdn h ALA 44 CO 0.97 0.04 0.00 1.63 0.00 0.00 0.00 179.25 181.89 1hdn n LYS 45 N -3.60 0.89 -4.19 0.00 5.02 -1.26 -4.20 118.16 110.82 1hdn n LYS 45 Ca -0.03 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.02 1hdn n LYS 45 Cb 0.13 -1.19 -0.17 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.45 1.80 0.11 4.39 0.15 -0.77 -4.88 113.70 113.04 1hdn s SER 46 Ca 0.17 -0.26 -0.30 0.00 0.70 0.00 0.00 55.95 56.25 1hdn s SER 46 Cb 0.08 -0.75 -0.10 0.00 -1.71 0.00 0.00 66.02 63.54 1hdn s SER 46 CO 0.13 -0.06 1.60 -0.07 1.20 0.00 0.00 173.24 176.04 1hdn h LEU 47 N 7.58 -1.12 -1.33 3.45 3.38 -1.84 -1.56 115.31 123.87 1hdn h LEU 47 Ca -0.31 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1hdn h LEU 47 Cb 1.15 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 1hdn h LEU 47 CO 0.43 -0.48 0.13 0.15 0.09 0.00 0.00 178.44 178.76 1hdn h PHE 48 N -0.65 0.59 0.41 1.13 3.57 -1.97 0.33 116.94 120.36 1hdn h PHE 48 Ca 0.02 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1hdn h PHE 48 Cb 0.66 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1hdn h PHE 48 CO -0.32 0.49 -0.20 0.87 -2.23 0.00 0.00 178.31 176.92 1hdn h LYS 49 N 0.58 -0.54 -0.23 1.11 1.79 -1.76 -3.04 116.57 114.48 1hdn h LYS 49 Ca 0.14 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1hdn h LYS 49 Cb 0.18 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1hdn h LYS 49 CO -0.01 -0.23 0.10 1.25 -1.08 0.00 0.00 179.45 179.49 1hdn h LEU 50 N -0.94 0.32 -1.87 2.94 5.85 -0.87 -2.88 115.31 117.86 1hdn h LEU 50 Ca -0.06 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1hdn h LEU 50 Cb 0.56 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1hdn h LEU 50 CO 0.09 0.37 -0.10 1.56 -0.34 0.00 0.00 178.44 180.02 1hdn h GLN 51 N 0.24 0.00 0.00 1.25 4.20 -1.08 -2.27 115.11 117.45 1hdn h GLN 51 Ca 0.08 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 1hdn h GLN 51 Cb 0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1hdn h GLN 51 CO -0.01 0.10 -1.18 1.79 -0.67 0.00 0.00 178.83 178.87 1hdn h THR 52 N 0.00 0.53 -3.26 -0.54 1.35 -1.40 -3.47 112.91 106.13 1hdn h THR 52 Ca -0.00 -1.95 -0.53 0.00 -0.55 0.00 0.00 66.41 63.37 1hdn h THR 52 Cb 0.38 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1hdn h THR 52 CO 0.01 0.30 0.53 -0.22 -0.25 0.00 0.00 175.52 175.90 1hdn s LEU 53 N -5.89 4.38 -0.66 3.87 2.96 -0.86 -4.96 118.68 117.52 1hdn s LEU 53 Ca -0.01 1.99 -0.26 0.00 -0.22 0.00 0.00 54.13 55.63 1hdn s LEU 53 Cb 0.08 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.12 1hdn s LEU 53 CO 0.79 -0.42 2.20 -0.83 -1.32 0.00 0.00 176.35 176.78 1hdn s GLY 54 N 0.93 -0.29 -0.98 7.98 0.00 -1.26 -4.91 107.32 108.80 1hdn s GLY 54 Ca 0.57 -0.60 -0.03 0.00 0.00 0.00 0.00 44.72 44.66 1hdn s GLY 54 CO 0.30 3.89 1.12 1.04 0.00 0.00 0.00 173.10 179.44 1hdn n LEU 55 N 15.56 5.27 -3.98 0.66 4.77 -1.26 -4.90 117.00 133.12 1hdn n LEU 55 Ca 0.36 -5.19 -0.15 0.00 -0.03 0.00 0.00 56.01 50.99 1hdn n LEU 55 Cb 0.50 -1.18 -0.14 0.00 -2.33 0.00 0.00 43.42 40.27 1hdn n LEU 55 CO 0.65 1.65 -0.40 0.28 -1.33 0.00 0.00 177.39 178.23 1hdn s THR 56 N -2.08 0.43 0.00 -5.08 -1.32 -1.26 -2.27 115.64 104.05 1hdn s THR 56 Ca 0.32 -0.41 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1hdn s THR 56 Cb 0.00 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 1hdn s THR 56 CO -0.01 0.00 0.00 1.67 -2.21 0.00 0.00 174.62 174.07 1hdn n GLN 57 N 2.62 0.00 0.00 7.08 -0.06 -0.82 -3.43 117.38 122.78 1hdn n GLN 57 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.85 1hdn n GLN 57 Cb 0.57 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.75 1hdn n GLN 57 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1hdn n GLY 58 N 0.01 1.75 3.76 1.69 0.00 0.57 -4.92 105.19 108.05 1hdn n GLY 58 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.02 2.16 -0.47 2.61 2.01 -1.22 -4.64 115.64 116.07 1hdn s THR 59 Ca 0.00 0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.87 1hdn s THR 59 Cb 0.00 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.45 1hdn s THR 59 CO 0.00 0.03 1.07 -0.69 -0.69 0.00 0.00 174.62 174.34 1hdn s VAL 60 N -0.33 4.28 -0.65 3.82 1.01 -1.26 -2.08 120.40 125.20 1hdn s VAL 60 Ca 0.60 1.07 -0.07 0.00 0.00 0.00 0.00 61.98 63.58 1hdn s VAL 60 Cb -0.46 -4.56 0.17 0.00 0.00 0.00 0.00 36.38 31.53 1hdn s VAL 60 CO 0.51 -0.96 0.51 0.54 0.00 0.00 0.00 175.10 175.69 1hdn s VAL 61 N 4.25 4.30 -0.73 2.92 0.11 0.78 -1.51 120.40 130.53 1hdn s VAL 61 Ca 0.45 -2.60 -0.25 0.00 -2.93 0.00 0.00 61.98 56.64 1hdn s VAL 61 Cb -0.08 -3.76 0.04 0.00 -1.53 0.00 0.00 36.38 31.05 1hdn s VAL 61 CO 0.30 -0.90 1.18 0.42 -3.33 0.00 0.00 175.10 172.78 1hdn s THR 62 N 0.28 3.93 -0.41 5.04 -4.23 -0.42 -3.35 115.64 116.48 1hdn s THR 62 Ca 0.15 0.09 -0.29 0.00 -1.18 0.00 0.00 61.69 60.47 1hdn s THR 62 Cb -0.19 -4.85 0.00 0.00 1.34 0.00 0.00 72.50 68.81 1hdn s THR 62 CO -0.04 -1.73 1.49 -0.63 -0.54 0.00 0.00 174.62 173.16 1hdn s ILE 63 N 5.14 3.81 -0.31 2.99 1.09 -1.09 -1.90 121.20 130.93 1hdn s ILE 63 Ca 0.31 0.82 -0.03 0.00 -1.10 0.00 0.00 60.65 60.65 1hdn s ILE 63 Cb -0.10 -4.11 0.05 0.00 -1.06 0.00 0.00 42.46 37.23 1hdn s ILE 63 CO 0.12 -0.72 0.03 -0.55 -0.10 0.00 0.00 174.94 173.72 1hdn s SER 64 N 4.40 4.98 -0.22 3.58 0.15 0.30 -1.53 113.70 125.37 1hdn s SER 64 Ca 0.64 -1.28 -0.06 0.00 0.70 0.00 0.00 55.95 55.94 1hdn s SER 64 Cb -0.15 -1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 62.39 1hdn s SER 64 CO 0.32 -0.29 0.04 0.00 1.20 0.00 0.00 173.24 174.52 1hdn s ALA 65 N 1.27 3.15 -0.50 5.45 0.00 0.17 -0.27 121.76 131.03 1hdn s ALA 65 Ca -0.04 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 50.94 1hdn s ALA 65 Cb -0.20 -1.94 0.13 0.00 0.00 0.00 0.00 23.12 21.11 1hdn s ALA 65 CO -0.01 -0.26 0.24 -2.00 0.00 0.00 0.00 175.76 173.74 1hdn s GLU 66 N 1.20 1.95 0.00 0.00 2.12 -0.49 -1.10 118.70 122.38 1hdn s GLU 66 Ca 0.04 -2.54 0.00 0.00 0.36 0.00 0.00 54.97 52.83 1hdn s GLU 66 Cb -0.14 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1hdn s GLU 66 CO 0.03 -1.09 0.00 0.41 -0.54 0.00 0.00 175.26 174.06 1hdn n GLY 67 N 3.26 -0.68 0.09 -1.50 0.00 -1.26 -1.61 105.19 103.48 1hdn n GLY 67 Ca 0.05 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.10 -1.69 1.61 5.08 -1.95 -3.26 114.58 114.27 1hdn h GLU 68 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1hdn h GLU 68 Cb 0.00 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1hdn h GLU 68 CO 0.00 0.24 0.00 -0.40 -1.00 0.00 0.00 179.01 177.85 1hdn n ASP 69 N -4.98 4.52 -0.06 1.42 5.68 -1.26 -4.71 116.55 117.16 1hdn n ASP 69 Ca -0.08 -2.25 -0.02 0.00 -0.50 0.00 0.00 54.79 51.94 1hdn n ASP 69 Cb 0.20 -0.91 -0.02 0.00 -1.14 0.00 0.00 41.12 39.26 1hdn n ASP 69 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1hdn n GLU 70 N 1.19 -0.07 -0.32 0.11 0.28 -1.23 -0.61 120.64 119.99 1hdn n GLU 70 Ca 0.00 1.07 -0.03 0.00 -0.16 0.00 0.00 57.16 58.04 1hdn n GLU 70 Cb 0.49 -1.61 0.08 0.00 1.43 0.00 0.00 31.44 31.84 1hdn n GLU 70 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1hdn h GLN 71 N 0.00 1.14 -0.25 3.44 4.20 -1.90 -2.63 115.11 119.11 1hdn h GLN 71 Ca 0.02 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.49 1hdn h GLN 71 Cb 0.06 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.58 1hdn h GLN 71 CO -0.14 0.75 -0.56 -0.22 -0.67 0.00 0.00 178.83 178.00 1hdn h LYS 72 N 1.17 0.77 -0.88 1.46 3.64 -1.64 0.22 116.57 121.31 1hdn h LYS 72 Ca 0.32 -0.49 0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1hdn h LYS 72 Cb -0.14 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.67 1hdn h LYS 72 CO -0.07 1.12 0.53 0.00 -2.27 0.00 0.00 179.45 178.77 1hdn h ALA 73 N 0.78 1.25 0.12 5.00 0.00 -0.73 -2.86 119.26 122.83 1hdn h ALA 73 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1hdn h ALA 73 Cb 1.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1hdn h ALA 73 CO 0.12 0.21 -0.06 0.28 0.00 0.00 0.00 179.25 179.80 1hdn h VAL 74 N 0.92 0.00 -0.84 0.00 2.07 -1.02 -3.19 116.25 114.19 1hdn h VAL 74 Ca 0.41 -0.28 0.14 0.00 0.82 0.00 0.00 66.70 67.80 1hdn h VAL 74 Cb 0.30 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.92 1hdn h VAL 74 CO -0.22 0.00 -0.33 -0.08 0.02 0.00 0.00 177.57 176.96 1hdn h GLU 75 N -0.44 -0.05 -0.28 1.57 4.81 -0.66 0.22 114.58 119.75 1hdn h GLU 75 Ca -0.02 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1hdn h GLU 75 Cb 0.12 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1hdn h GLU 75 CO 0.03 -0.03 0.04 1.25 -0.73 0.00 0.00 179.01 179.57 1hdn h HIS 76 N -0.05 0.49 -0.02 0.92 2.76 -1.69 -2.71 115.15 114.87 1hdn h HIS 76 Ca 0.33 -0.07 -0.11 0.00 -2.20 0.00 0.00 60.37 58.32 1hdn h HIS 76 Cb 0.59 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1hdn h HIS 76 CO -0.76 0.57 -0.51 -0.07 -1.30 0.00 0.00 177.93 175.86 1hdn h LEU 77 N 0.28 0.04 -0.85 0.26 3.38 -1.25 -2.55 115.31 114.63 1hdn h LEU 77 Ca 0.08 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1hdn h LEU 77 Cb 0.34 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1hdn h LEU 77 CO 0.01 0.55 0.56 0.58 0.09 0.00 0.00 178.44 180.22 1hdn h VAL 78 N 0.03 1.19 0.13 1.22 2.07 -0.85 -0.27 116.25 119.77 1hdn h VAL 78 Ca -0.00 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1hdn h VAL 78 Cb 0.92 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1hdn h VAL 78 CO 0.07 0.20 -0.19 0.11 0.02 0.00 0.00 177.57 177.78 1hdn h LYS 79 N 1.12 -0.37 -0.68 1.57 1.57 -1.14 -1.74 116.57 116.89 1hdn h LYS 79 Ca 0.32 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.23 1hdn h LYS 79 Cb -0.08 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.24 1hdn h LYS 79 CO -0.09 -0.25 0.30 -0.07 -0.57 0.00 0.00 179.45 178.78 1hdn h LEU 80 N -0.38 0.36 -0.75 2.94 4.07 -1.19 0.12 115.31 120.47 1hdn h LEU 80 Ca 0.02 0.07 0.08 0.00 0.08 0.00 0.00 57.88 58.13 1hdn h LEU 80 Cb 0.39 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 1hdn h LEU 80 CO -0.09 0.20 0.42 -0.03 -1.08 0.00 0.00 178.44 177.86 1hdn h MET 81 N 0.51 0.72 0.16 1.13 4.05 -0.83 -1.59 114.93 119.09 1hdn h MET 81 Ca 0.35 -0.04 -0.30 0.00 -0.28 0.00 0.00 59.70 59.43 1hdn h MET 81 Cb 0.41 -0.16 0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1hdn h MET 81 CO -0.30 0.48 -1.30 0.00 0.23 0.00 0.00 176.91 176.01 1hdn h ALA 82 N 1.41 0.01 0.00 0.39 0.00 -0.26 -3.43 119.26 117.39 1hdn h ALA 82 Ca 0.35 -0.85 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 1hdn h ALA 82 Cb 0.28 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1hdn h ALA 82 CO -0.22 0.83 -2.16 0.39 0.00 0.00 0.00 179.25 178.09 1hdn n GLU 83 N -3.64 0.67 -2.52 0.00 1.02 0.30 -4.88 120.64 111.58 1hdn n GLU 83 Ca -0.12 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.58 1hdn n GLU 83 Cb 1.03 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.86 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 -5.30 4.37 0.00 -4.62 1.43 -0.61 -5.06 118.68 108.88 1hdn s LEU 84 Ca -0.09 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 1hdn s LEU 84 Cb 0.08 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1hdn s LEU 84 CO 0.85 -0.40 0.07 -0.62 0.23 0.00 0.00 176.35 176.48