#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 0.13 -0.06 2.03 5.36 -1.05 -5.01 117.98 119.38 1hdn s PHE 2 Ca 0.00 -0.12 0.02 0.00 -0.96 0.00 0.00 56.93 55.87 1hdn s PHE 2 Cb 0.00 -0.09 0.01 0.00 -0.34 0.00 0.00 43.02 42.60 1hdn s PHE 2 CO 0.00 -0.04 -0.13 -1.14 -1.46 0.00 0.00 175.22 172.46 1hdn s GLN 3 N -0.33 1.66 -0.28 10.12 -0.44 -1.26 -0.43 119.66 128.70 1hdn s GLN 3 Ca -0.03 -0.43 -0.04 0.00 -2.50 0.00 0.00 55.36 52.37 1hdn s GLN 3 Cb -0.02 -1.39 0.03 0.00 -1.64 0.00 0.00 33.01 29.99 1hdn s GLN 3 CO -0.00 0.06 0.01 -0.65 0.50 0.00 0.00 175.29 175.20 1hdn s GLN 4 N 0.57 2.76 -0.91 1.67 -0.21 -0.43 -4.99 119.66 118.11 1hdn s GLN 4 Ca -0.13 -1.05 -0.24 0.00 0.02 0.00 0.00 55.36 53.96 1hdn s GLN 4 Cb -0.15 -3.19 0.03 0.00 1.00 0.00 0.00 33.01 30.69 1hdn s GLN 4 CO 0.03 -0.50 1.52 -2.00 -2.12 0.00 0.00 175.29 172.22 1hdn s GLU 5 N 1.36 3.28 0.05 2.91 2.12 -1.26 -1.00 118.70 126.15 1hdn s GLU 5 Ca -0.01 -0.69 0.04 0.00 0.36 0.00 0.00 54.97 54.67 1hdn s GLU 5 Cb -0.18 -4.99 -0.04 0.00 0.26 0.00 0.00 34.13 29.18 1hdn s GLU 5 CO -0.01 -2.42 -0.03 0.08 -0.54 0.00 0.00 175.26 172.34 1hdn s VAL 6 N 6.22 3.84 0.17 3.70 1.01 -1.03 -5.01 120.40 129.29 1hdn s VAL 6 Ca 0.49 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.68 1hdn s VAL 6 Cb -0.04 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1hdn s VAL 6 CO -0.01 0.26 -0.10 0.42 0.00 0.00 0.00 175.10 175.67 1hdn s THR 7 N -1.15 3.21 -0.34 3.92 -4.23 -1.26 -0.08 115.64 115.70 1hdn s THR 7 Ca 0.21 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1hdn s THR 7 Cb -0.11 -2.57 0.08 0.00 1.34 0.00 0.00 72.50 71.23 1hdn s THR 7 CO 0.13 -0.07 0.08 -0.63 -0.54 0.00 0.00 174.62 173.58 1hdn s ILE 8 N -1.62 2.94 -0.53 2.99 1.01 0.03 -4.88 121.20 121.15 1hdn s ILE 8 Ca 0.24 -1.79 0.04 0.00 0.00 0.00 0.00 60.65 59.15 1hdn s ILE 8 Cb -0.09 -2.89 0.39 0.00 0.01 0.00 0.00 42.46 39.88 1hdn s ILE 8 CO 0.15 -0.39 1.12 1.07 0.00 0.00 0.00 174.94 176.89 1hdn n THR 9 N 4.54 2.79 -4.29 2.92 5.66 -1.26 -1.18 114.28 123.46 1hdn n THR 9 Ca -0.07 -5.17 -0.33 0.00 -3.05 0.00 0.00 64.05 55.44 1hdn n THR 9 Cb 0.42 -1.32 -0.16 0.00 -1.55 0.00 0.00 70.33 67.72 1hdn n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hdn s ALA 10 N -3.57 2.32 0.21 1.79 0.00 -1.26 -4.84 121.76 116.41 1hdn s ALA 10 Ca 0.48 -1.18 -0.09 0.00 0.00 0.00 0.00 51.96 51.18 1hdn s ALA 10 Cb 0.35 -1.14 0.27 0.00 0.00 0.00 0.00 23.12 22.61 1hdn s ALA 10 CO -0.18 -0.25 1.79 -1.35 0.00 0.00 0.00 175.76 175.77 1hdn h PRO 11 N 7.74 0.58 0.97 0.00 0.11 -1.95 -1.94 132.00 137.50 1hdn h PRO 11 Ca -0.42 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1hdn h PRO 11 Cb 1.16 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.15 1hdn h PRO 11 CO 0.61 0.38 -0.46 -2.95 -0.21 0.00 0.00 178.00 175.37 1hdn h ASN 12 N 0.60 -1.10 -2.70 -2.05 -1.07 -1.96 -3.42 115.58 103.87 1hdn h ASN 12 Ca 0.31 0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.72 1hdn h ASN 12 Cb 0.28 0.28 0.00 0.00 -2.07 0.00 0.00 38.32 36.82 1hdn h ASN 12 CO -0.23 -0.78 0.00 0.61 0.07 0.00 0.00 177.43 177.10 1hdn n GLY 13 N -1.62 -1.66 2.68 9.14 0.00 -0.97 -4.38 105.19 108.38 1hdn n GLY 13 Ca -0.16 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 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 7.41 0.00 0.99 7.94 0.08 -4.94 117.00 128.48 1hdn n LEU 14 Ca 0.00 -5.27 0.00 0.00 -1.11 0.00 0.00 56.01 49.63 1hdn n LEU 14 Cb 0.00 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 42.79 1hdn n LEU 14 CO 0.00 2.00 0.00 0.00 -1.11 0.00 0.00 177.39 178.28 1hdn n HIS 15 N -0.08 -2.23 -0.11 1.96 1.44 -1.26 -3.73 115.22 111.21 1hdn n HIS 15 Ca 0.49 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 56.06 1hdn n HIS 15 Cb 0.26 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.27 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 -1.82 0.00 -0.11 0.61 1.35 -1.94 0.12 112.91 111.13 1hdn h THR 16 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.65 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 -0.78 0.03 -0.25 0.00 0.00 175.52 174.52 1hdn h ARG 17 N -0.42 0.62 -0.20 4.72 2.47 -1.98 -0.66 114.38 118.92 1hdn h ARG 17 Ca 0.06 -0.52 0.05 0.00 -1.26 0.00 0.00 59.98 58.31 1hdn h ARG 17 Cb 0.60 0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.98 1hdn h ARG 17 CO -0.55 1.14 -0.11 -1.35 0.56 0.00 0.00 179.97 179.66 1hdn h PRO 18 N 0.42 -0.09 -0.74 0.04 0.11 -1.77 -0.98 132.00 128.99 1hdn h PRO 18 Ca -0.05 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.11 1hdn h PRO 18 Cb 1.39 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.47 1hdn h PRO 18 CO 0.15 -0.06 0.45 0.00 -0.21 0.00 0.00 178.00 178.33 1hdn h ALA 19 N 1.08 0.99 -0.86 -0.75 0.00 -0.80 -1.51 119.26 117.41 1hdn h ALA 19 Ca 0.11 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1hdn h ALA 19 Cb 0.26 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1hdn h ALA 19 CO -0.26 0.20 0.56 0.00 0.00 0.00 0.00 179.25 179.75 1hdn h ALA 20 N 1.34 1.12 -0.40 0.00 0.00 -0.83 0.11 119.26 120.60 1hdn h ALA 20 Ca 0.31 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1hdn h ALA 20 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1hdn h ALA 20 CO -0.15 0.44 -0.04 0.37 0.00 0.00 0.00 179.25 179.88 1hdn h GLN 21 N 1.12 0.74 -0.96 0.00 5.75 -0.68 -2.39 115.11 118.68 1hdn h GLN 21 Ca 0.33 -0.25 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1hdn h GLN 21 Cb -0.05 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.39 1hdn h GLN 21 CO -0.10 0.84 0.63 0.35 -2.65 0.00 0.00 178.83 177.91 1hdn h PHE 22 N 0.56 1.20 0.06 3.99 3.04 -0.93 -2.19 116.94 122.67 1hdn h PHE 22 Ca 0.11 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.10 1hdn h PHE 22 Cb 0.53 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 1hdn h PHE 22 CO 0.04 0.74 -0.09 0.28 -2.02 0.00 0.00 178.31 177.26 1hdn h VAL 23 N 1.28 0.79 -0.56 1.41 2.07 -0.63 0.12 116.25 120.73 1hdn h VAL 23 Ca 0.36 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.99 1hdn h VAL 23 Cb -0.11 0.79 -0.10 0.00 -1.52 0.00 0.00 31.29 30.35 1hdn h VAL 23 CO -0.09 0.00 -0.12 0.50 0.02 0.00 0.00 177.57 177.89 1hdn h LYS 24 N -0.18 0.02 -0.02 1.57 3.11 -1.05 -0.20 116.57 119.82 1hdn h LYS 24 Ca 0.01 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1hdn h LYS 24 Cb 0.19 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.42 1hdn h LYS 24 CO -0.05 0.01 0.01 1.49 -2.81 0.00 0.00 179.45 178.10 1hdn h GLU 25 N 0.02 0.03 -0.70 1.90 4.57 -1.14 -3.06 114.58 116.19 1hdn h GLU 25 Ca 0.27 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.51 1hdn h GLU 25 Cb 0.42 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 1hdn h GLU 25 CO -0.56 0.20 0.46 0.00 -1.18 0.00 0.00 179.01 177.93 1hdn h ALA 26 N 0.83 1.74 0.00 2.92 0.00 -0.50 -0.96 119.26 123.29 1hdn h ALA 26 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1hdn h ALA 26 Cb 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1hdn h ALA 26 CO -0.00 0.15 -0.16 0.87 0.00 0.00 0.00 179.25 180.10 1hdn h LYS 27 N 0.71 0.00 -0.35 0.00 1.57 -0.94 -2.96 116.57 114.60 1hdn h LYS 27 Ca 0.31 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.00 1hdn h LYS 27 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1hdn h LYS 27 CO -0.10 0.16 -0.15 0.78 -0.57 0.00 0.00 179.45 179.57 1hdn h GLY 28 N 0.90 0.68 -1.70 3.86 0.00 -1.12 -3.46 103.07 102.23 1hdn h GLY 28 Ca -0.00 -0.51 -0.50 0.00 0.00 0.00 0.00 47.33 46.31 1hdn h GLY 28 CO 0.02 0.47 0.38 -1.36 0.00 0.00 0.00 176.54 176.05 1hdn s PHE 29 N -4.70 2.76 0.01 5.60 0.08 -1.12 -5.01 117.98 115.59 1hdn s PHE 29 Ca -0.08 1.53 -0.21 0.00 0.12 0.00 0.00 56.93 58.30 1hdn s PHE 29 Cb 0.14 -3.11 -0.20 0.00 -0.57 0.00 0.00 43.02 39.28 1hdn s PHE 29 CO 0.80 -1.48 1.17 1.79 -0.10 0.00 0.00 175.22 177.40 1hdn h THR 30 N 0.16 1.42 -4.09 0.64 1.35 -1.90 -3.46 112.91 107.04 1hdn h THR 30 Ca -0.47 -1.81 -0.50 0.00 -0.55 0.00 0.00 66.41 63.08 1hdn h THR 30 Cb 1.24 2.38 0.07 0.00 -1.73 0.00 0.00 68.15 70.10 1hdn h THR 30 CO 0.55 0.52 0.43 -0.94 -0.25 0.00 0.00 175.52 175.83 1hdn s SER 31 N -6.48 5.73 -0.57 5.36 1.04 -1.26 -4.73 113.70 112.78 1hdn s SER 31 Ca -0.14 2.16 -0.19 0.00 0.48 0.00 0.00 55.95 58.25 1hdn s SER 31 Cb 0.04 -2.58 0.09 0.00 0.10 0.00 0.00 66.02 63.67 1hdn s SER 31 CO 0.79 -1.21 0.70 -0.70 0.98 0.00 0.00 173.24 173.80 1hdn s GLU 32 N -3.32 3.07 -0.38 4.02 2.12 0.59 -4.94 118.70 119.85 1hdn s GLU 32 Ca 0.72 -1.19 -0.29 0.00 0.36 0.00 0.00 54.97 54.58 1hdn s GLU 32 Cb -0.23 -4.22 0.01 0.00 0.26 0.00 0.00 34.13 29.94 1hdn s GLU 32 CO 0.27 -1.48 1.37 0.42 -0.54 0.00 0.00 175.26 175.30 1hdn s ILE 33 N 2.75 3.98 -0.22 -3.70 -1.09 -1.26 -2.12 121.20 119.54 1hdn s ILE 33 Ca 0.13 1.04 -0.04 0.00 -2.23 0.00 0.00 60.65 59.55 1hdn s ILE 33 Cb -0.23 -4.21 -0.01 0.00 -1.58 0.00 0.00 42.46 36.44 1hdn s ILE 33 CO 0.08 -0.69 -0.05 -0.89 -1.23 0.00 0.00 174.94 172.17 1hdn s THR 34 N 5.07 3.36 -0.84 2.92 2.01 0.11 -0.83 115.64 127.45 1hdn s THR 34 Ca 0.59 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 62.05 1hdn s THR 34 Cb -0.14 -2.52 0.21 0.00 0.01 0.00 0.00 72.50 70.05 1hdn s THR 34 CO 0.30 0.43 0.72 -0.69 -0.69 0.00 0.00 174.62 174.69 1hdn s VAL 35 N 1.45 4.50 -0.45 3.82 1.01 0.58 -0.48 120.40 130.83 1hdn s VAL 35 Ca 0.05 -3.42 -0.28 0.00 0.00 0.00 0.00 61.98 58.34 1hdn s VAL 35 Cb -0.14 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1hdn s VAL 35 CO -0.03 -1.03 1.05 -0.89 0.00 0.00 0.00 175.10 174.20 1hdn s THR 36 N -0.82 4.34 -0.69 3.92 2.01 -0.85 -3.39 115.64 120.16 1hdn s THR 36 Ca 0.24 1.12 -0.24 0.00 0.31 0.00 0.00 61.69 63.12 1hdn s THR 36 Cb -0.11 -4.52 0.06 0.00 0.01 0.00 0.00 72.50 67.94 1hdn s THR 36 CO -0.09 -0.88 1.07 -0.55 -0.69 0.00 0.00 174.62 173.48 1hdn s SER 37 N 2.29 6.18 0.00 3.53 0.15 -0.75 -1.45 113.70 123.64 1hdn s SER 37 Ca 0.44 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1hdn s SER 37 Cb -0.09 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1hdn s SER 37 CO 0.28 -1.57 0.00 -0.46 1.20 0.00 0.00 173.24 172.69 1hdn n ASN 38 N 8.24 0.00 0.00 5.45 6.94 0.14 -0.77 115.26 135.26 1hdn n ASN 38 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 1hdn n ASN 38 Cb 0.47 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 1hdn n ASN 38 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hdn n GLY 39 N 0.06 3.23 3.18 4.83 0.00 -1.26 -4.97 105.19 110.26 1hdn n GLY 39 Ca 0.00 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 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 2.08 0.25 1.61 1.02 0.05 -5.13 119.74 119.62 1hdn s LYS 40 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 1hdn s LYS 40 Cb 0.00 -1.78 -0.09 0.00 -0.52 0.00 0.00 37.83 35.44 1hdn s LYS 40 CO 0.00 0.28 1.19 -1.12 -0.92 0.00 0.00 175.35 174.78 1hdn s SER 41 N 0.00 7.09 -0.01 2.83 0.01 -1.26 -1.81 113.70 120.54 1hdn s SER 41 Ca -0.05 2.34 0.01 0.00 1.31 0.00 0.00 55.95 59.56 1hdn s SER 41 Cb -0.13 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.49 1hdn s SER 41 CO 0.03 -0.32 -0.02 0.00 0.41 0.00 0.00 173.24 173.34 1hdn s ALA 42 N -0.67 0.23 -0.26 1.44 0.00 -1.22 -4.93 121.76 116.36 1hdn s ALA 42 Ca 0.49 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.36 1hdn s ALA 42 Cb -0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1hdn s ALA 42 CO 0.41 0.02 0.05 0.45 0.00 0.00 0.00 175.76 176.70 1hdn s SER 43 N 0.24 5.00 0.46 0.00 0.15 -1.26 -0.31 113.70 117.99 1hdn s SER 43 Ca -0.02 -0.35 0.13 0.00 0.70 0.00 0.00 55.95 56.41 1hdn s SER 43 Cb -0.05 -1.88 1.06 0.00 -1.71 0.00 0.00 66.02 63.44 1hdn s SER 43 CO -0.01 -0.07 2.06 0.00 1.20 0.00 0.00 173.24 176.42 1hdn h ALA 44 N 8.22 1.80 0.00 5.45 0.00 -1.33 -1.97 119.26 131.43 1hdn h ALA 44 Ca -0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1hdn h ALA 44 Cb 1.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1hdn h ALA 44 CO 0.59 0.16 0.00 1.17 0.00 0.00 0.00 179.25 181.17 1hdn n LYS 45 N -4.43 0.86 -3.61 0.00 4.81 -1.22 -4.16 118.16 110.41 1hdn n LYS 45 Ca -0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.36 1hdn n LYS 45 Cb 0.15 -1.26 -0.08 0.00 0.02 0.00 0.00 35.03 33.87 1hdn n LYS 45 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1hdn s SER 46 N -0.54 -0.46 0.00 3.14 0.15 -0.74 -4.79 113.70 110.46 1hdn s SER 46 Ca 0.00 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1hdn s SER 46 Cb 0.00 1.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 1hdn s SER 46 CO 0.00 -0.24 0.95 -0.11 1.20 0.00 0.00 173.24 175.04 1hdn n LEU 47 N 5.40 0.00 0.15 3.45 7.94 -1.26 -1.50 117.00 131.18 1hdn n LEU 47 Ca -0.09 0.95 0.04 0.00 -1.11 0.00 0.00 56.01 55.80 1hdn n LEU 47 Cb 0.49 -0.45 0.46 0.00 0.53 0.00 0.00 43.42 44.45 1hdn n LEU 47 CO -0.00 -0.45 0.94 -0.26 -1.11 0.00 0.00 177.39 176.51 1hdn h PHE 48 N 0.00 0.17 -0.47 1.96 0.04 -1.98 0.36 116.94 117.02 1hdn h PHE 48 Ca 0.00 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 1hdn h PHE 48 Cb 0.00 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 1hdn h PHE 48 CO -0.14 0.26 -0.08 -0.22 -0.60 0.00 0.00 178.31 177.53 1hdn h LYS 49 N 0.17 0.84 0.17 1.51 3.64 -1.82 -1.12 116.57 119.95 1hdn h LYS 49 Ca 0.04 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1hdn h LYS 49 Cb 0.27 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1hdn h LYS 49 CO 0.01 0.89 -0.08 1.25 -2.27 0.00 0.00 179.45 179.25 1hdn h LEU 50 N 0.76 -0.19 -1.18 5.20 5.85 -0.62 -3.37 115.31 121.77 1hdn h LEU 50 Ca 0.13 -0.34 0.11 0.00 0.84 0.00 0.00 57.88 58.62 1hdn h LEU 50 Cb 0.57 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1hdn h LEU 50 CO 0.03 0.36 0.59 1.56 -0.34 0.00 0.00 178.44 180.65 1hdn h GLN 51 N -0.87 0.84 0.00 1.25 4.20 -0.80 -1.49 115.11 118.25 1hdn h GLN 51 Ca -0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1hdn h GLN 51 Cb 0.52 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1hdn h GLN 51 CO 0.04 0.56 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 1hdn h THR 52 N 0.87 0.00 -2.36 -0.54 1.03 -1.39 -3.45 112.91 107.07 1hdn h THR 52 Ca 0.44 -0.05 -0.50 0.00 -0.01 0.00 0.00 66.41 66.29 1hdn h THR 52 Cb 0.49 0.92 -0.02 0.00 -1.07 0.00 0.00 68.15 68.46 1hdn h THR 52 CO -0.20 0.00 -0.46 -0.76 -0.01 0.00 0.00 175.52 174.09 1hdn s LEU 53 N -5.70 4.27 -0.75 0.00 2.01 -0.56 -5.03 118.68 112.92 1hdn s LEU 53 Ca -0.04 0.08 -0.26 0.00 0.01 0.00 0.00 54.13 53.93 1hdn s LEU 53 Cb 0.11 -2.83 -0.07 0.00 0.01 0.00 0.00 46.19 43.41 1hdn s LEU 53 CO 0.37 -0.01 2.12 -0.83 1.01 0.00 0.00 176.35 179.00 1hdn s GLY 54 N -3.63 -0.17 -0.89 -3.19 0.00 -1.26 -4.86 107.32 93.32 1hdn s GLY 54 Ca 0.34 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 44.16 1hdn s GLY 54 CO 0.28 3.77 1.72 1.04 0.00 0.00 0.00 173.10 179.91 1hdn n LEU 55 N 15.21 6.88 -4.21 0.66 4.77 -1.26 -4.87 117.00 134.19 1hdn n LEU 55 Ca 0.37 -5.27 -0.17 0.00 -0.03 0.00 0.00 56.01 50.90 1hdn n LEU 55 Cb 0.48 -1.02 -0.07 0.00 -2.33 0.00 0.00 43.42 40.49 1hdn n LEU 55 CO 0.63 2.03 -0.02 0.28 -1.33 0.00 0.00 177.39 178.97 1hdn s THR 56 N -4.63 0.00 -0.07 -5.08 -1.32 -1.26 -0.74 115.64 102.54 1hdn s THR 56 Ca 0.44 -1.85 -0.36 0.00 -1.21 0.00 0.00 61.69 58.71 1hdn s THR 56 Cb 0.28 -2.56 -0.14 0.00 -1.51 0.00 0.00 72.50 68.58 1hdn s THR 56 CO -0.21 0.00 1.72 1.67 -2.21 0.00 0.00 174.62 175.59 1hdn n GLN 57 N -0.59 1.78 -1.33 7.08 7.27 -0.77 -2.87 117.38 127.96 1hdn n GLN 57 Ca 0.05 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.77 1hdn n GLN 57 Cb 0.62 -2.41 0.00 0.00 2.41 0.00 0.00 30.24 30.86 1hdn n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1hdn n GLY 58 N 3.93 1.00 3.33 1.69 0.00 -0.33 -4.93 105.19 109.89 1hdn n GLY 58 Ca 0.22 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1hdn n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hdn s THR 59 N -2.25 2.18 -0.39 2.61 -4.23 -0.91 -5.03 115.64 107.62 1hdn s THR 59 Ca 0.00 -1.08 -0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1hdn s THR 59 Cb 0.00 -1.77 0.07 0.00 1.34 0.00 0.00 72.50 72.14 1hdn s THR 59 CO 0.00 0.57 0.20 -0.69 -0.54 0.00 0.00 174.62 174.16 1hdn s VAL 60 N -0.63 3.96 -0.66 2.29 1.01 -1.26 -0.79 120.40 124.30 1hdn s VAL 60 Ca 0.10 -1.39 -0.08 0.00 0.00 0.00 0.00 61.98 60.61 1hdn s VAL 60 Cb -0.10 -3.39 0.17 0.00 0.00 0.00 0.00 36.38 33.06 1hdn s VAL 60 CO -0.01 -0.42 0.53 0.68 0.00 0.00 0.00 175.10 175.89 1hdn s VAL 61 N 1.38 4.43 -0.66 2.92 -7.23 0.88 -0.68 120.40 121.45 1hdn s VAL 61 Ca 0.02 -2.58 -0.27 0.00 -1.81 0.00 0.00 61.98 57.33 1hdn s VAL 61 Cb -0.22 -3.83 0.02 0.00 0.56 0.00 0.00 36.38 32.91 1hdn s VAL 61 CO 0.02 -0.91 1.33 0.42 -0.31 0.00 0.00 175.10 175.65 1hdn s THR 62 N 0.27 3.78 -0.78 5.32 -4.23 -0.53 -2.48 115.64 116.99 1hdn s THR 62 Ca 0.15 0.56 -0.22 0.00 -1.18 0.00 0.00 61.69 61.01 1hdn s THR 62 Cb -0.18 -4.71 0.08 0.00 1.34 0.00 0.00 72.50 69.04 1hdn s THR 62 CO -0.05 -1.53 1.09 -0.63 -0.54 0.00 0.00 174.62 172.96 1hdn s ILE 63 N 5.87 4.36 -0.24 2.99 1.01 -0.17 -2.00 121.20 133.02 1hdn s ILE 63 Ca 0.43 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 60.28 1hdn s ILE 63 Cb -0.09 -4.77 -0.04 0.00 0.01 0.00 0.00 42.46 37.58 1hdn s ILE 63 CO 0.20 -1.55 0.10 -0.55 0.00 0.00 0.00 174.94 173.13 1hdn s SER 64 N 3.80 5.44 -0.28 3.58 0.15 0.37 -1.32 113.70 125.44 1hdn s SER 64 Ca 0.29 -0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.78 1hdn s SER 64 Cb -0.11 -1.98 0.01 0.00 -1.71 0.00 0.00 66.02 62.23 1hdn s SER 64 CO 0.02 0.01 0.06 0.00 1.20 0.00 0.00 173.24 174.53 1hdn s ALA 65 N 1.37 3.01 -0.45 5.45 0.00 0.43 -0.71 121.76 130.86 1hdn s ALA 65 Ca 0.06 -1.44 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 1hdn s ALA 65 Cb -0.15 -2.07 0.10 0.00 0.00 0.00 0.00 23.12 21.00 1hdn s ALA 65 CO 0.05 -0.88 0.31 -1.83 0.00 0.00 0.00 175.76 173.41 1hdn s GLU 66 N 1.47 2.61 0.00 0.00 -1.05 -0.90 -2.54 118.70 118.29 1hdn s GLU 66 Ca 0.02 -1.58 0.00 0.00 -0.15 0.00 0.00 54.97 53.27 1hdn s GLU 66 Cb -0.17 -3.89 0.00 0.00 -0.44 0.00 0.00 34.13 29.63 1hdn s GLU 66 CO 0.01 -1.07 0.00 0.41 0.95 0.00 0.00 175.26 175.57 1hdn n GLY 67 N 4.95 0.22 0.42 -3.83 0.00 -1.26 -0.30 105.19 105.39 1hdn n GLY 67 Ca -0.10 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 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 1.25 -1.00 -1.97 1.61 5.08 -1.94 -3.20 114.58 114.41 1hdn h GLU 68 Ca 0.00 0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.23 1hdn h GLU 68 Cb 0.00 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1hdn h GLU 68 CO 0.00 -0.67 -0.14 -0.40 -1.00 0.00 0.00 179.01 176.80 1hdn n ASP 69 N -5.17 5.52 -0.34 1.42 5.68 -1.26 -4.70 116.55 117.69 1hdn n ASP 69 Ca -0.13 -2.60 0.18 0.00 -0.50 0.00 0.00 54.79 51.74 1hdn n ASP 69 Cb 0.41 -1.30 0.41 0.00 -1.14 0.00 0.00 41.12 39.49 1hdn n ASP 69 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1hdn h GLU 70 N 2.44 0.54 0.00 0.11 4.11 -1.88 -2.20 114.58 117.69 1hdn h GLU 70 Ca 0.18 -0.03 -0.12 0.00 0.07 0.00 0.00 59.36 59.46 1hdn h GLU 70 Cb 1.25 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1hdn h GLU 70 CO 0.30 0.36 -0.77 -0.56 0.07 0.00 0.00 179.01 178.41 1hdn h GLN 71 N 0.55 0.00 -0.33 1.06 -0.00 -1.91 -3.38 115.11 111.10 1hdn h GLN 71 Ca 0.64 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 59.24 1hdn h GLN 71 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.74 1hdn h GLN 71 CO -0.44 0.68 0.01 0.87 -0.00 0.00 0.00 178.83 179.95 1hdn h LYS 72 N -1.00 0.58 -0.36 0.06 1.57 -1.89 -2.16 116.57 113.38 1hdn h LYS 72 Ca -0.18 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1hdn h LYS 72 Cb 0.96 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 1hdn h LYS 72 CO -0.11 0.70 0.17 0.00 -0.57 0.00 0.00 179.45 179.64 1hdn h ALA 73 N 0.86 0.44 -0.17 3.86 0.00 -1.65 -1.93 119.26 120.66 1hdn h ALA 73 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1hdn h ALA 73 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1hdn h ALA 73 CO 0.02 -0.21 0.02 0.28 0.00 0.00 0.00 179.25 179.36 1hdn h VAL 74 N 0.35 1.23 -0.35 0.00 2.07 -1.69 -2.33 116.25 115.52 1hdn h VAL 74 Ca 0.16 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 66.99 1hdn h VAL 74 Cb 0.08 1.38 -0.09 0.00 -1.52 0.00 0.00 31.29 31.15 1hdn h VAL 74 CO -0.12 0.23 -0.44 -0.08 0.02 0.00 0.00 177.57 177.18 1hdn h GLU 75 N 0.07 -0.35 -0.39 1.57 4.81 -1.20 0.10 114.58 119.19 1hdn h GLU 75 Ca 0.05 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1hdn h GLU 75 Cb 0.32 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1hdn h GLU 75 CO 0.00 -0.23 0.25 1.25 -0.73 0.00 0.00 179.01 179.55 1hdn h HIS 76 N -0.36 0.46 -0.53 0.92 2.76 -1.30 -1.69 115.15 115.41 1hdn h HIS 76 Ca 0.12 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.19 1hdn h HIS 76 Cb 0.59 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 1hdn h HIS 76 CO -0.60 0.28 -0.11 -0.07 -1.30 0.00 0.00 177.93 176.13 1hdn h LEU 77 N 0.50 0.98 -0.31 0.26 3.38 -0.80 -1.61 115.31 117.71 1hdn h LEU 77 Ca 0.15 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1hdn h LEU 77 Cb -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1hdn h LEU 77 CO -0.05 1.09 0.16 0.58 0.09 0.00 0.00 178.44 180.31 1hdn h VAL 78 N 0.88 1.14 -0.46 1.22 2.07 -0.67 -1.96 116.25 118.47 1hdn h VAL 78 Ca 0.14 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 67.39 1hdn h VAL 78 Cb 0.66 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 1hdn h VAL 78 CO 0.05 0.14 -0.11 0.50 0.02 0.00 0.00 177.57 178.17 1hdn h LYS 79 N 0.37 0.01 0.20 1.57 3.64 -1.17 -1.52 116.57 119.67 1hdn h LYS 79 Ca 0.11 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1hdn h LYS 79 Cb 0.07 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1hdn h LYS 79 CO -0.02 0.00 -0.23 -0.07 -2.27 0.00 0.00 179.45 176.87 1hdn h LEU 80 N 0.01 -0.63 -0.86 5.20 3.38 -0.99 -2.61 115.31 118.82 1hdn h LEU 80 Ca 0.22 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.37 1hdn h LEU 80 Cb 0.34 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 1hdn h LEU 80 CO -0.47 -0.34 0.49 -0.03 0.09 0.00 0.00 178.44 178.18 1hdn h MET 81 N -0.48 0.75 -0.82 1.13 4.05 -1.07 -2.21 114.93 116.28 1hdn h MET 81 Ca 0.00 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 1hdn h MET 81 Cb 0.46 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.05 1hdn h MET 81 CO -0.07 0.50 0.41 0.00 0.23 0.00 0.00 176.91 177.97 1hdn h ALA 82 N 1.50 1.16 -0.56 0.39 0.00 -0.92 -1.81 119.26 119.02 1hdn h ALA 82 Ca 0.43 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1hdn h ALA 82 Cb 0.46 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1hdn h ALA 82 CO -0.28 0.64 0.16 -0.85 0.00 0.00 0.00 179.25 178.92 1hdn n GLU 83 N -4.31 3.50 -0.60 0.00 0.28 -0.86 -4.15 120.64 114.49 1hdn n GLU 83 Ca 0.08 -2.48 0.04 0.00 -0.16 0.00 0.00 57.16 54.65 1hdn n GLU 83 Cb 0.13 -2.06 0.20 0.00 1.43 0.00 0.00 31.44 31.14 1hdn n GLU 83 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1hdn n LEU 84 N 0.11 2.96 -0.04 -1.84 4.77 -0.68 -5.06 117.00 117.22 1hdn n LEU 84 Ca 0.30 -3.82 0.00 0.00 -0.03 0.00 0.00 56.01 52.46 1hdn n LEU 84 Cb 1.14 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1hdn n LEU 84 CO 0.33 1.33 0.26 1.21 -1.33 0.00 0.00 177.39 179.19