#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 1.79 -0.14 1.12 2.19 -1.21 -4.85 117.98 116.88 1hdn s PHE 2 Ca 0.00 0.63 0.02 0.00 0.33 0.00 0.00 56.93 57.91 1hdn s PHE 2 Cb 0.00 -4.12 0.01 0.00 -1.31 0.00 0.00 43.02 37.59 1hdn s PHE 2 CO 0.00 -2.94 -0.20 -1.14 1.83 0.00 0.00 175.22 172.77 1hdn s GLN 3 N 5.72 3.07 -0.06 10.12 -0.44 -1.26 -1.10 119.66 135.72 1hdn s GLN 3 Ca 0.80 -0.83 0.02 0.00 -2.50 0.00 0.00 55.36 52.85 1hdn s GLN 3 Cb -0.22 -2.48 0.01 0.00 -1.64 0.00 0.00 33.01 28.68 1hdn s GLN 3 CO 0.33 -0.00 -0.11 -0.65 0.50 0.00 0.00 175.29 175.36 1hdn s GLN 4 N 0.80 1.48 -0.83 1.67 -0.21 -0.16 -4.99 119.66 117.42 1hdn s GLN 4 Ca -0.07 -0.36 -0.15 0.00 0.02 0.00 0.00 55.36 54.80 1hdn s GLN 4 Cb -0.16 -1.26 0.20 0.00 1.00 0.00 0.00 33.01 32.79 1hdn s GLN 4 CO -0.01 0.03 0.82 -1.21 -2.12 0.00 0.00 175.29 172.80 1hdn s GLU 5 N 0.62 3.58 -0.20 2.91 2.02 -1.26 -0.76 118.70 125.60 1hdn s GLU 5 Ca -0.12 -2.31 -0.14 0.00 0.02 0.00 0.00 54.97 52.41 1hdn s GLU 5 Cb -0.15 -4.51 -0.04 0.00 0.10 0.00 0.00 34.13 29.53 1hdn s GLU 5 CO 0.03 -1.38 0.31 0.08 0.02 0.00 0.00 175.26 174.32 1hdn s VAL 6 N 0.66 5.27 -0.27 2.63 1.01 -1.07 -4.97 120.40 123.66 1hdn s VAL 6 Ca 0.20 0.54 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 1hdn s VAL 6 Cb -0.10 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1hdn s VAL 6 CO -0.08 0.31 0.14 -0.89 0.00 0.00 0.00 175.10 174.58 1hdn s THR 7 N 1.03 4.94 0.02 3.92 2.01 -1.26 -0.09 115.64 126.21 1hdn s THR 7 Ca 0.16 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 1hdn s THR 7 Cb -0.14 -3.33 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 1hdn s THR 7 CO 0.06 0.29 1.49 -0.63 -0.69 0.00 0.00 174.62 175.14 1hdn s ILE 8 N 1.66 3.47 -0.00 1.82 1.01 -0.63 -4.91 121.20 123.62 1hdn s ILE 8 Ca 0.07 0.88 0.01 0.00 0.00 0.00 0.00 60.65 61.60 1hdn s ILE 8 Cb -0.16 -3.57 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 1hdn s ILE 8 CO 0.08 -0.00 0.01 1.07 0.00 0.00 0.00 174.94 176.10 1hdn n THR 9 N 4.68 0.01 -2.08 2.92 5.66 -1.26 -0.01 114.28 124.21 1hdn n THR 9 Ca 0.14 -0.02 -0.39 0.00 -3.05 0.00 0.00 64.05 60.73 1hdn n THR 9 Cb 0.42 0.17 -0.01 0.00 -1.55 0.00 0.00 70.33 69.37 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 -2.05 3.24 0.44 1.79 0.00 -1.26 -4.74 121.76 119.18 1hdn s ALA 10 Ca -0.00 1.20 0.13 0.00 0.00 0.00 0.00 51.96 53.29 1hdn s ALA 10 Cb 0.00 -3.48 0.98 0.00 0.00 0.00 0.00 23.12 20.63 1hdn s ALA 10 CO 0.03 -0.80 2.01 -1.00 0.00 0.00 0.00 175.76 176.00 1hdn h PRO 11 N 2.66 0.12 -0.01 0.00 0.13 -1.98 -2.38 132.00 130.53 1hdn h PRO 11 Ca -0.49 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1hdn h PRO 11 Cb 1.25 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1hdn h PRO 11 CO 0.62 0.22 -0.04 -2.95 -0.23 0.00 0.00 178.00 175.63 1hdn h ASN 12 N 0.11 0.05 -4.48 1.44 -1.07 -1.97 -3.45 115.58 106.21 1hdn h ASN 12 Ca 0.03 -0.65 0.00 0.00 0.07 0.00 0.00 56.30 55.75 1hdn h ASN 12 Cb 0.24 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.48 1hdn h ASN 12 CO 0.01 0.69 0.00 0.61 0.07 0.00 0.00 177.43 178.81 1hdn n GLY 13 N 0.66 -0.39 2.49 9.14 0.00 -0.90 -4.42 105.19 111.77 1hdn n GLY 13 Ca -0.09 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.17 5.64 0.00 0.99 4.77 -1.24 -4.81 117.00 121.19 1hdn n LEU 14 Ca 0.00 -3.16 0.00 0.00 -0.03 0.00 0.00 56.01 52.82 1hdn n LEU 14 Cb 0.00 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 39.91 1hdn n LEU 14 CO 0.00 1.00 0.00 0.00 -1.33 0.00 0.00 177.39 177.06 1hdn n HIS 15 N 3.86 0.00 0.25 -1.77 1.44 -1.25 -3.98 115.22 113.77 1hdn n HIS 15 Ca 0.50 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 56.06 1hdn n HIS 15 Cb 0.22 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.24 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 0.00 0.58 -0.13 0.61 1.35 -1.90 0.88 112.91 114.30 1hdn h THR 16 Ca 0.00 -0.04 -0.19 0.00 -0.55 0.00 0.00 66.41 65.63 1hdn h THR 16 Cb 0.00 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1hdn h THR 16 CO 0.00 0.01 -0.70 0.03 -0.25 0.00 0.00 175.52 174.61 1hdn h ARG 17 N -0.60 0.56 -0.08 4.72 2.47 -1.98 0.10 114.38 119.57 1hdn h ARG 17 Ca -0.06 -0.43 0.02 0.00 -1.26 0.00 0.00 59.98 58.25 1hdn h ARG 17 Cb 0.45 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 1hdn h ARG 17 CO 0.10 1.05 -0.04 -1.35 0.56 0.00 0.00 179.97 180.29 1hdn h PRO 18 N 0.39 -0.04 -0.71 0.04 0.11 -1.82 -2.18 132.00 127.80 1hdn h PRO 18 Ca -0.03 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.19 1hdn h PRO 18 Cb 1.28 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.33 1hdn h PRO 18 CO 0.13 -0.03 0.34 0.00 -0.21 0.00 0.00 178.00 178.23 1hdn h ALA 19 N 1.03 0.98 -0.45 -0.75 0.00 -0.72 -0.27 119.26 119.09 1hdn h ALA 19 Ca 0.05 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1hdn h ALA 19 Cb 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1hdn h ALA 19 CO -0.11 -0.08 0.15 0.00 0.00 0.00 0.00 179.25 179.21 1hdn h ALA 20 N 1.45 0.54 -0.41 0.00 0.00 -0.66 0.32 119.26 120.50 1hdn h ALA 20 Ca 0.36 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1hdn h ALA 20 Cb 0.41 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1hdn h ALA 20 CO -0.29 -0.24 0.26 1.96 0.00 0.00 0.00 179.25 180.94 1hdn h GLN 21 N 0.32 0.50 -0.27 0.00 1.08 -0.80 -2.45 115.11 113.50 1hdn h GLN 21 Ca 0.21 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 1hdn h GLN 21 Cb 0.22 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1hdn h GLN 21 CO -0.22 0.33 0.09 0.35 -0.95 0.00 0.00 178.83 178.43 1hdn h PHE 22 N 0.52 0.43 -0.07 2.96 3.57 -0.44 -0.43 116.94 123.48 1hdn h PHE 22 Ca 0.16 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.64 1hdn h PHE 22 Cb -0.02 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1hdn h PHE 22 CO -0.06 0.45 -0.10 0.28 -2.23 0.00 0.00 178.31 176.66 1hdn h VAL 23 N 0.28 0.73 -0.12 1.41 2.07 -0.42 0.82 116.25 121.01 1hdn h VAL 23 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1hdn h VAL 23 Cb 0.22 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1hdn h VAL 23 CO -0.00 0.00 -0.27 0.50 0.02 0.00 0.00 177.57 177.82 1hdn h LYS 24 N -0.13 -0.33 -0.29 1.57 3.64 -1.14 -1.34 116.57 118.55 1hdn h LYS 24 Ca 0.06 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1hdn h LYS 24 Cb 0.22 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1hdn h LYS 24 CO -0.15 -0.22 0.15 1.49 -2.27 0.00 0.00 179.45 178.45 1hdn h GLU 25 N -0.34 0.42 -0.93 1.90 4.57 -0.92 -2.76 114.58 116.51 1hdn h GLU 25 Ca 0.10 -0.06 0.10 0.00 -1.18 0.00 0.00 59.36 58.32 1hdn h GLU 25 Cb 0.49 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.93 1hdn h GLU 25 CO -0.32 0.39 0.60 0.00 -1.18 0.00 0.00 179.01 178.50 1hdn h ALA 26 N 1.01 1.57 0.00 2.92 0.00 -0.66 0.68 119.26 124.79 1hdn h ALA 26 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1hdn h ALA 26 Cb 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1hdn h ALA 26 CO -0.01 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.10 1hdn n LYS 27 N -4.54 0.08 -0.91 0.00 5.02 -0.52 -2.02 118.16 115.27 1hdn n LYS 27 Ca 0.16 0.41 0.04 0.00 -2.02 0.00 0.00 58.31 56.90 1hdn n LYS 27 Cb 0.30 -1.69 0.37 0.00 -0.02 0.00 0.00 35.03 33.99 1hdn n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hdn n GLY 28 N -0.49 3.27 3.11 0.72 0.00 0.23 -4.85 105.19 107.18 1hdn n GLY 28 Ca 0.02 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.85 2.33 0.34 1.61 0.08 -0.86 -5.03 117.98 113.61 1hdn s PHE 29 Ca 0.54 -1.14 0.04 0.00 0.12 0.00 0.00 56.93 56.49 1hdn s PHE 29 Cb 0.42 -1.62 0.66 0.00 -0.57 0.00 0.00 43.02 41.91 1hdn s PHE 29 CO 0.15 -0.55 1.95 1.79 -0.10 0.00 0.00 175.22 178.46 1hdn h THR 30 N 5.89 1.06 -4.15 0.64 1.35 -1.88 -3.43 112.91 112.39 1hdn h THR 30 Ca -0.32 -0.29 -0.53 0.00 -0.55 0.00 0.00 66.41 64.72 1hdn h THR 30 Cb 1.18 0.13 0.19 0.00 -1.73 0.00 0.00 68.15 67.92 1hdn h THR 30 CO 0.52 0.16 0.20 -1.54 -0.25 0.00 0.00 175.52 174.61 1hdn n SER 31 N -4.47 0.46 -4.50 5.36 3.41 -1.26 -4.98 113.62 107.63 1hdn n SER 31 Ca 0.11 0.49 -0.33 0.00 -0.26 0.00 0.00 58.87 58.88 1hdn n SER 31 Cb 0.19 -1.47 -0.12 0.00 -0.26 0.00 0.00 64.21 62.54 1hdn n SER 31 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1hdn s GLU 32 N -4.28 2.99 -0.30 4.33 2.12 0.22 -4.99 118.70 118.79 1hdn s GLU 32 Ca 0.69 -0.60 -0.04 0.00 0.36 0.00 0.00 54.97 55.38 1hdn s GLU 32 Cb -0.26 -2.61 0.04 0.00 0.26 0.00 0.00 34.13 31.56 1hdn s GLU 32 CO 0.55 0.49 0.03 0.96 -0.54 0.00 0.00 175.26 176.75 1hdn s ILE 33 N -0.34 3.34 -0.64 -3.70 -0.00 -1.26 -1.21 121.20 117.38 1hdn s ILE 33 Ca 0.04 -1.17 -0.19 0.00 -0.00 0.00 0.00 60.65 59.33 1hdn s ILE 33 Cb -0.12 -2.85 0.10 0.00 -0.00 0.00 0.00 42.46 39.58 1hdn s ILE 33 CO 0.02 -0.06 0.79 -0.89 -0.00 0.00 0.00 174.94 174.80 1hdn s THR 34 N 1.34 4.74 -0.66 8.37 2.01 0.88 -1.01 115.64 131.32 1hdn s THR 34 Ca -0.02 -0.98 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 1hdn s THR 34 Cb -0.19 -4.55 0.17 0.00 0.01 0.00 0.00 72.50 67.94 1hdn s THR 34 CO 0.00 -1.22 0.51 -0.69 -0.69 0.00 0.00 174.62 172.53 1hdn s VAL 35 N 2.86 4.15 -0.47 3.82 1.01 -0.68 -0.73 120.40 130.35 1hdn s VAL 35 Ca 0.15 -2.79 -0.11 0.00 0.00 0.00 0.00 61.98 59.23 1hdn s VAL 35 Cb -0.21 -3.67 0.11 0.00 0.00 0.00 0.00 36.38 32.61 1hdn s VAL 35 CO 0.05 -0.90 0.36 0.42 0.00 0.00 0.00 175.10 175.03 1hdn s THR 36 N 0.06 4.52 -0.39 3.92 -4.23 -0.99 -4.57 115.64 113.96 1hdn s THR 36 Ca 0.17 -1.56 -0.27 0.00 -1.18 0.00 0.00 61.69 58.85 1hdn s THR 36 Cb -0.18 -3.88 -0.06 0.00 1.34 0.00 0.00 72.50 69.72 1hdn s THR 36 CO -0.05 -0.70 2.33 -0.55 -0.54 0.00 0.00 174.62 175.11 1hdn s SER 37 N 2.71 4.83 0.00 3.99 0.15 -1.26 -0.80 113.70 123.31 1hdn s SER 37 Ca 0.04 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.07 1hdn s SER 37 Cb -0.26 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1hdn s SER 37 CO 0.01 -2.53 0.00 -0.46 1.20 0.00 0.00 173.24 171.46 1hdn n ASN 38 N 14.30 0.00 0.00 5.45 6.94 0.30 -3.25 115.26 138.99 1hdn n ASN 38 Ca 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.90 1hdn n ASN 38 Cb 0.51 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 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 0.00 -0.07 3.50 4.83 0.00 -1.26 -4.96 105.19 107.24 1hdn n GLY 39 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 2.28 0.06 1.61 -0.14 -1.20 -5.09 119.74 117.25 1hdn s LYS 40 Ca 0.00 -0.86 -0.30 0.00 -1.36 0.00 0.00 55.97 53.45 1hdn s LYS 40 Cb 0.00 -2.31 -0.05 0.00 -1.68 0.00 0.00 37.83 33.79 1hdn s LYS 40 CO 0.00 0.57 1.12 -1.12 -0.76 0.00 0.00 175.35 175.17 1hdn s SER 41 N -1.33 7.18 -0.26 2.83 0.01 -1.26 -4.45 113.70 116.42 1hdn s SER 41 Ca 0.15 1.92 -0.16 0.00 1.31 0.00 0.00 55.95 59.17 1hdn s SER 41 Cb -0.11 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.62 1hdn s SER 41 CO 0.05 -0.38 0.64 0.00 0.41 0.00 0.00 173.24 173.97 1hdn s ALA 42 N 0.91 -1.72 0.09 1.44 0.00 -1.26 -5.04 121.76 116.18 1hdn s ALA 42 Ca 0.56 2.22 -0.19 0.00 0.00 0.00 0.00 51.96 54.55 1hdn s ALA 42 Cb -0.27 -1.31 -0.07 0.00 0.00 0.00 0.00 23.12 21.47 1hdn s ALA 42 CO 0.29 -0.35 0.58 0.45 0.00 0.00 0.00 175.76 176.73 1hdn s SER 43 N 1.44 7.04 0.54 0.00 0.15 -1.26 -1.69 113.70 119.93 1hdn s SER 43 Ca -0.09 1.26 0.31 0.00 0.70 0.00 0.00 55.95 58.13 1hdn s SER 43 Cb -0.05 -2.36 1.55 0.00 -1.71 0.00 0.00 66.02 63.45 1hdn s SER 43 CO -0.16 0.24 2.09 0.00 1.20 0.00 0.00 173.24 176.61 1hdn h ALA 44 N 4.35 1.18 -0.11 5.45 0.00 -1.35 -3.22 119.26 125.56 1hdn h ALA 44 Ca -0.49 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1hdn h ALA 44 Cb 1.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1hdn h ALA 44 CO 0.64 0.11 0.07 1.63 0.00 0.00 0.00 179.25 181.70 1hdn n LYS 45 N -3.45 1.14 -3.31 0.00 5.02 -1.26 -4.33 118.16 111.97 1hdn n LYS 45 Ca -0.01 -0.33 0.02 0.00 -2.02 0.00 0.00 58.31 55.97 1hdn n LYS 45 Cb 0.23 -1.13 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.85 -1.30 0.07 4.39 0.15 -1.22 -4.91 113.70 111.74 1hdn s SER 46 Ca 0.06 1.10 -0.28 0.00 0.70 0.00 0.00 55.95 57.54 1hdn s SER 46 Cb 0.05 2.20 -0.12 0.00 -1.71 0.00 0.00 66.02 66.44 1hdn s SER 46 CO 0.01 -0.24 1.43 0.25 1.20 0.00 0.00 173.24 175.89 1hdn h LEU 47 N 8.00 -1.18 -1.39 3.45 5.85 -1.87 -1.88 115.31 126.29 1hdn h LEU 47 Ca -0.21 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1hdn h LEU 47 Cb 1.14 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1hdn h LEU 47 CO 0.20 -0.48 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.50 1hdn h PHE 48 N -0.69 0.33 -0.44 1.25 0.04 -1.96 -0.54 116.94 114.92 1hdn h PHE 48 Ca -0.03 -0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.57 1hdn h PHE 48 Cb 0.64 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1hdn h PHE 48 CO -0.32 0.39 -0.27 -0.22 -0.60 0.00 0.00 178.31 177.29 1hdn h LYS 49 N 0.31 0.96 0.15 1.51 3.64 -1.80 -1.12 116.57 120.22 1hdn h LYS 49 Ca 0.07 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1hdn h LYS 49 Cb 0.32 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1hdn h LYS 49 CO 0.01 1.10 -0.07 1.25 -2.27 0.00 0.00 179.45 179.47 1hdn h LEU 50 N 0.81 -0.17 -1.76 5.20 5.85 -0.91 -3.36 115.31 120.97 1hdn h LEU 50 Ca 0.09 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1hdn h LEU 50 Cb 0.85 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 1hdn h LEU 50 CO 0.07 0.33 -0.16 1.56 -0.34 0.00 0.00 178.44 179.91 1hdn h GLN 51 N -0.75 0.00 0.00 1.25 4.20 -0.96 -1.41 115.11 117.44 1hdn h GLN 51 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1hdn h GLN 51 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1hdn h GLN 51 CO 0.03 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 1hdn h THR 52 N 0.00 0.00 -3.70 -0.54 1.03 -1.35 -3.46 112.91 104.90 1hdn h THR 52 Ca -0.00 -0.39 -0.50 0.00 -0.01 0.00 0.00 66.41 65.51 1hdn h THR 52 Cb 0.32 1.25 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 1hdn h THR 52 CO 0.02 0.00 0.11 -0.76 -0.01 0.00 0.00 175.52 174.89 1hdn s LEU 53 N -5.17 3.85 -0.71 0.00 2.01 -0.53 -4.99 118.68 113.13 1hdn s LEU 53 Ca 0.04 1.14 -0.25 0.00 0.01 0.00 0.00 54.13 55.07 1hdn s LEU 53 Cb 0.09 -4.02 -0.14 0.00 0.01 0.00 0.00 46.19 42.14 1hdn s LEU 53 CO 0.48 -0.39 2.41 0.61 1.01 0.00 0.00 176.35 180.48 1hdn n GLY 54 N -1.23 -0.08 2.82 -3.19 0.00 -1.26 -4.82 105.19 97.43 1hdn n GLY 54 Ca 0.02 0.46 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 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 16.32 7.51 -4.35 0.99 4.77 -1.26 -4.78 117.00 136.19 1hdn n LEU 55 Ca 0.46 -4.76 -0.18 0.00 -0.03 0.00 0.00 56.01 51.50 1hdn n LEU 55 Cb 0.43 -1.04 -0.10 0.00 -2.33 0.00 0.00 43.42 40.37 1hdn n LEU 55 CO 0.67 1.72 -0.28 0.28 -1.33 0.00 0.00 177.39 178.46 1hdn s THR 56 N -5.05 0.83 -0.05 -5.08 -1.32 -1.26 -3.60 115.64 100.11 1hdn s THR 56 Ca 0.54 -2.01 -0.34 0.00 -1.21 0.00 0.00 61.69 58.67 1hdn s THR 56 Cb 0.45 -2.61 -0.12 0.00 -1.51 0.00 0.00 72.50 68.71 1hdn s THR 56 CO -0.35 -0.08 1.83 1.67 -2.21 0.00 0.00 174.62 175.48 1hdn n GLN 57 N -0.51 2.16 0.00 7.08 7.27 -1.24 -2.67 117.38 129.47 1hdn n GLN 57 Ca -0.02 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.84 1hdn n GLN 57 Cb 0.66 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.69 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 4.24 2.37 3.75 1.69 0.00 0.99 -4.98 105.19 113.24 1hdn n GLY 58 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.48 3.58 -0.39 2.61 -4.23 -1.09 -4.79 115.64 108.86 1hdn s THR 59 Ca 0.00 1.42 -0.17 0.00 -1.18 0.00 0.00 61.69 61.77 1hdn s THR 59 Cb 0.00 -3.91 0.01 0.00 1.34 0.00 0.00 72.50 69.94 1hdn s THR 59 CO 0.00 0.27 0.42 -0.69 -0.54 0.00 0.00 174.62 174.08 1hdn s VAL 60 N -0.48 5.11 -0.58 2.29 1.01 -1.26 -1.60 120.40 124.89 1hdn s VAL 60 Ca 0.49 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 1hdn s VAL 60 Cb -0.32 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 32.18 1hdn s VAL 60 CO 0.38 -0.31 0.75 0.68 0.00 0.00 0.00 175.10 176.60 1hdn s VAL 61 N 2.11 4.72 -0.85 2.92 -7.23 0.87 -0.54 120.40 122.40 1hdn s VAL 61 Ca 0.12 -0.69 -0.22 0.00 -1.81 0.00 0.00 61.98 59.37 1hdn s VAL 61 Cb -0.17 -4.48 0.07 0.00 0.56 0.00 0.00 36.38 32.36 1hdn s VAL 61 CO 0.13 -1.11 1.20 0.42 -0.31 0.00 0.00 175.10 175.43 1hdn s THR 62 N 3.00 4.22 -0.75 5.32 -4.23 0.02 -2.60 115.64 120.61 1hdn s THR 62 Ca 0.15 -0.68 -0.25 0.00 -1.18 0.00 0.00 61.69 59.73 1hdn s THR 62 Cb -0.21 -4.86 0.05 0.00 1.34 0.00 0.00 72.50 68.82 1hdn s THR 62 CO 0.09 -1.68 1.20 -0.63 -0.54 0.00 0.00 174.62 173.06 1hdn s ILE 63 N 4.23 3.96 -0.14 2.99 1.01 0.06 -2.35 121.20 130.96 1hdn s ILE 63 Ca 0.34 -0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 1hdn s ILE 63 Cb -0.07 -4.86 -0.04 0.00 0.01 0.00 0.00 42.46 37.50 1hdn s ILE 63 CO -0.00 -1.74 0.05 -0.55 0.00 0.00 0.00 174.94 172.70 1hdn s SER 64 N 3.85 5.56 -0.07 3.58 0.15 0.09 -0.99 113.70 125.87 1hdn s SER 64 Ca 0.32 0.14 0.04 0.00 0.70 0.00 0.00 55.95 57.16 1hdn s SER 64 Cb -0.10 -1.82 -0.00 0.00 -1.71 0.00 0.00 66.02 62.39 1hdn s SER 64 CO 0.10 0.27 -0.21 0.00 1.20 0.00 0.00 173.24 174.60 1hdn s ALA 65 N -0.22 1.91 -0.01 5.45 0.00 -0.25 -0.08 121.76 128.55 1hdn s ALA 65 Ca 0.07 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1hdn s ALA 65 Cb -0.12 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1hdn s ALA 65 CO 0.02 0.30 -0.04 -1.83 0.00 0.00 0.00 175.76 174.21 1hdn s GLU 66 N 0.18 0.42 0.00 0.00 -1.05 -0.35 -3.35 118.70 114.55 1hdn s GLU 66 Ca -0.11 -0.11 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 1hdn s GLU 66 Cb -0.15 -0.45 0.00 0.00 -0.44 0.00 0.00 34.13 33.09 1hdn s GLU 66 CO 0.05 0.03 0.00 0.41 0.95 0.00 0.00 175.26 176.70 1hdn n GLY 67 N 3.35 0.79 0.37 -3.83 0.00 -1.26 -0.61 105.19 104.00 1hdn n GLY 67 Ca -0.17 -2.21 0.16 0.00 0.00 0.00 0.00 46.02 43.79 1hdn n GLY 67 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hdn h GLU 68 N 8.29 0.30 -0.45 1.61 4.81 -1.97 -1.53 114.58 125.64 1hdn h GLU 68 Ca 0.00 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 1hdn h GLU 68 Cb 0.00 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 29.19 1hdn h GLU 68 CO 0.00 0.20 0.05 -0.25 -0.73 0.00 0.00 179.01 178.28 1hdn n ASP 69 N -4.45 2.93 0.16 1.04 8.00 -1.26 -4.86 116.55 118.10 1hdn n ASP 69 Ca 0.12 -3.64 -0.15 0.00 0.71 0.00 0.00 54.79 51.84 1hdn n ASP 69 Cb 0.52 -0.66 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 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 1.16 -0.69 -0.48 -1.24 4.11 -1.54 -1.75 114.58 114.16 1hdn h GLU 70 Ca 0.26 0.05 0.08 0.00 0.07 0.00 0.00 59.36 59.81 1hdn h GLU 70 Cb 1.84 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 31.18 1hdn h GLU 70 CO 0.49 -0.46 0.12 -0.56 0.07 0.00 0.00 179.01 178.66 1hdn h GLN 71 N -0.71 0.25 -0.85 1.06 -0.00 -1.89 -2.74 115.11 110.23 1hdn h GLN 71 Ca 0.00 -0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.69 1hdn h GLN 71 Cb 0.70 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.48 28.07 1hdn h GLN 71 CO -0.19 0.17 0.54 0.87 -0.00 0.00 0.00 178.83 180.21 1hdn h LYS 72 N 0.26 0.97 0.76 0.06 1.57 -1.87 -1.61 116.57 116.71 1hdn h LYS 72 Ca 0.24 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1hdn h LYS 72 Cb 0.29 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1hdn h LYS 72 CO -0.29 0.64 -0.36 0.00 -0.57 0.00 0.00 179.45 178.87 1hdn h ALA 73 N 1.38 -1.02 -0.34 3.86 0.00 -1.02 -2.61 119.26 119.52 1hdn h ALA 73 Ca 0.36 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1hdn h ALA 73 Cb 0.11 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1hdn h ALA 73 CO -0.15 -1.07 -0.26 0.28 0.00 0.00 0.00 179.25 178.05 1hdn h VAL 74 N -1.03 1.27 0.11 0.00 2.07 -1.35 -0.40 116.25 116.93 1hdn h VAL 74 Ca -0.10 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.08 1hdn h VAL 74 Cb 0.78 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1hdn h VAL 74 CO 0.17 0.45 -0.40 -0.08 0.02 0.00 0.00 177.57 177.72 1hdn h GLU 75 N 0.59 -0.61 -0.61 1.57 4.81 -1.31 -0.36 114.58 118.66 1hdn h GLU 75 Ca 0.08 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1hdn h GLU 75 Cb 0.75 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1hdn h GLU 75 CO 0.06 -0.41 0.06 1.25 -0.73 0.00 0.00 179.01 179.24 1hdn h HIS 76 N -0.63 1.12 -0.53 0.92 2.76 -1.19 -2.59 115.15 115.00 1hdn h HIS 76 Ca 0.02 -0.17 -0.04 0.00 -2.20 0.00 0.00 60.37 57.99 1hdn h HIS 76 Cb 0.66 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 1hdn h HIS 76 CO -0.36 0.97 0.19 -0.07 -1.30 0.00 0.00 177.93 177.37 1hdn h LEU 77 N 0.94 0.76 -0.63 0.26 3.38 -0.85 -1.18 115.31 117.99 1hdn h LEU 77 Ca 0.18 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hdn h LEU 77 Cb 0.49 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1hdn h LEU 77 CO 0.02 0.74 0.41 0.58 0.09 0.00 0.00 178.44 180.28 1hdn h VAL 78 N 0.73 1.17 -0.72 1.22 2.07 -0.99 -0.40 116.25 119.33 1hdn h VAL 78 Ca 0.18 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.45 1hdn h VAL 78 Cb 0.24 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 1hdn h VAL 78 CO -0.01 0.16 0.39 0.50 0.02 0.00 0.00 177.57 178.63 1hdn h LYS 79 N 0.86 0.66 0.66 1.57 3.64 -1.17 -1.59 116.57 121.20 1hdn h LYS 79 Ca 0.23 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1hdn h LYS 79 Cb -0.08 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1hdn h LYS 79 CO -0.05 0.44 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.18 1hdn h LEU 80 N 0.68 -0.76 -0.81 5.20 3.38 -0.81 -3.27 115.31 118.93 1hdn h LEU 80 Ca 0.34 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.51 1hdn h LEU 80 Cb 0.28 0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 1hdn h LEU 80 CO -0.23 -0.51 0.21 0.24 0.09 0.00 0.00 178.44 178.25 1hdn h MET 81 N -0.95 0.25 -0.78 1.13 2.86 -0.67 -1.74 114.93 115.03 1hdn h MET 81 Ca -0.09 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.68 1hdn h MET 81 Cb 0.70 -0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.21 1hdn h MET 81 CO 0.15 0.17 0.35 0.00 1.06 0.00 0.00 176.91 178.64 1hdn h ALA 82 N 1.68 1.13 -0.27 6.32 0.00 -1.35 -2.40 119.26 124.37 1hdn h ALA 82 Ca 0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1hdn h ALA 82 Cb 0.87 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1hdn h ALA 82 CO -0.57 -0.17 0.00 -0.85 0.00 0.00 0.00 179.25 177.67 1hdn n GLU 83 N -4.95 2.84 -0.25 0.00 0.28 -0.71 -4.45 120.64 113.40 1hdn n GLU 83 Ca 0.15 -2.45 0.09 0.00 -0.16 0.00 0.00 57.16 54.79 1hdn n GLU 83 Cb 0.42 -1.56 0.19 0.00 1.43 0.00 0.00 31.44 31.91 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 -0.14 2.96 -0.07 -1.84 4.32 -0.87 -5.10 117.00 116.25 1hdn n LEU 84 Ca 0.16 -3.12 0.01 0.00 -0.02 0.00 0.00 56.01 53.04 1hdn n LEU 84 Cb 0.67 -0.48 0.01 0.00 -1.62 0.00 0.00 43.42 41.99 1hdn n LEU 84 CO 0.11 0.74 0.28 1.21 -1.22 0.00 0.00 177.39 178.51