#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 3.58 0.01 1.12 5.36 -0.93 -4.91 117.98 122.21 1hdn s PHE 2 Ca 0.00 1.15 0.03 0.00 -0.96 0.00 0.00 56.93 57.15 1hdn s PHE 2 Cb 0.00 -2.71 -0.01 0.00 -0.34 0.00 0.00 43.02 39.96 1hdn s PHE 2 CO 0.00 0.15 -0.08 -1.14 -1.46 0.00 0.00 175.22 172.69 1hdn s GLN 3 N 0.60 0.63 -0.10 10.12 0.74 -1.26 -1.26 119.66 129.13 1hdn s GLN 3 Ca 0.34 -0.41 -0.10 0.00 0.05 0.00 0.00 55.36 55.25 1hdn s GLN 3 Cb -0.17 -0.58 0.03 0.00 1.10 0.00 0.00 33.01 33.39 1hdn s GLN 3 CO 0.16 0.15 0.28 -1.14 -0.55 0.00 0.00 175.29 174.19 1hdn s GLN 4 N -0.52 0.32 -0.11 1.67 0.74 -0.82 -4.99 119.66 115.95 1hdn s GLN 4 Ca 0.01 0.39 -0.16 0.00 0.05 0.00 0.00 55.36 55.64 1hdn s GLN 4 Cb -0.05 0.15 -0.05 0.00 1.10 0.00 0.00 33.01 34.17 1hdn s GLN 4 CO 0.00 -0.04 0.41 -1.83 -0.55 0.00 0.00 175.29 173.28 1hdn s GLU 5 N 0.18 4.26 -0.04 1.67 -1.05 -1.26 -0.51 118.70 121.94 1hdn s GLU 5 Ca -0.00 0.34 0.06 0.00 -0.15 0.00 0.00 54.97 55.21 1hdn s GLU 5 Cb -0.02 -3.40 -0.01 0.00 -0.44 0.00 0.00 34.13 30.26 1hdn s GLU 5 CO 0.00 0.25 -0.21 0.08 0.95 0.00 0.00 175.26 176.33 1hdn s VAL 6 N 0.35 1.76 -0.41 1.83 1.01 -0.45 -4.98 120.40 119.51 1hdn s VAL 6 Ca 0.23 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1hdn s VAL 6 Cb -0.15 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.78 1hdn s VAL 6 CO 0.09 0.50 0.27 0.42 0.00 0.00 0.00 175.10 176.37 1hdn s THR 7 N -0.15 4.88 -0.73 3.92 -4.23 -1.26 -0.94 115.64 117.13 1hdn s THR 7 Ca -0.02 -0.87 -0.26 0.00 -1.18 0.00 0.00 61.69 59.37 1hdn s THR 7 Cb -0.12 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 69.93 1hdn s THR 7 CO 0.02 -0.34 1.82 -0.63 -0.54 0.00 0.00 174.62 174.95 1hdn s ILE 8 N 1.60 3.44 -0.08 2.99 1.01 -1.00 -4.80 121.20 124.36 1hdn s ILE 8 Ca 0.03 -0.00 0.14 0.00 0.00 0.00 0.00 60.65 60.82 1hdn s ILE 8 Cb -0.20 -4.10 -0.11 0.00 0.01 0.00 0.00 42.46 38.05 1hdn s ILE 8 CO 0.07 -1.06 1.01 0.00 0.00 0.00 0.00 174.94 174.97 1hdn h THR 9 N 6.92 0.82 -3.01 2.92 1.03 -1.89 0.12 112.91 119.82 1hdn h THR 9 Ca -0.13 -2.37 -0.56 0.00 -0.01 0.00 0.00 66.41 63.34 1hdn h THR 9 Cb 1.10 2.31 0.09 0.00 -1.07 0.00 0.00 68.15 70.57 1hdn h THR 9 CO 1.23 0.47 0.73 0.00 -0.01 0.00 0.00 175.52 177.94 1hdn n ALA 10 N -2.37 1.79 -0.36 0.00 0.00 -1.26 -4.82 120.51 113.49 1hdn n ALA 10 Ca -0.07 0.39 0.26 0.00 0.00 0.00 0.00 53.44 54.02 1hdn n ALA 10 Cb 0.87 -2.36 0.52 0.00 0.00 0.00 0.00 19.45 18.47 1hdn n ALA 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1hdn h PRO 11 N 4.34 0.32 0.00 0.00 0.11 -1.97 -3.22 132.00 131.58 1hdn h PRO 11 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1hdn h PRO 11 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1hdn h PRO 11 CO 0.76 0.21 -0.64 0.27 -0.21 0.00 0.00 178.00 178.40 1hdn n ASN 12 N -4.78 2.73 0.00 -2.05 0.23 -1.26 -3.82 115.26 106.31 1hdn n ASN 12 Ca 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.35 1hdn n ASN 12 Cb 1.01 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.80 1hdn n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hdn n GLY 13 N 2.57 1.21 2.68 4.83 0.00 -1.25 -3.78 105.19 111.45 1hdn n GLY 13 Ca 0.00 0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 7.36 0.00 0.99 4.32 -0.99 -4.76 117.00 123.92 1hdn n LEU 14 Ca 0.00 -5.04 0.00 0.00 -0.02 0.00 0.00 56.01 50.95 1hdn n LEU 14 Cb 0.00 -1.31 0.00 0.00 -1.62 0.00 0.00 43.42 40.49 1hdn n LEU 14 CO 0.00 1.88 0.00 0.00 -1.22 0.00 0.00 177.39 178.05 1hdn n HIS 15 N 1.54 -3.09 -0.24 -1.77 1.44 -1.25 -4.27 115.22 107.57 1hdn n HIS 15 Ca 0.48 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 56.23 1hdn n HIS 15 Cb 0.28 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.54 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 -1.33 0.40 0.09 0.61 1.35 -1.96 0.33 112.91 112.39 1hdn h THR 16 Ca 0.00 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1hdn h THR 16 Cb 0.00 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 1hdn h THR 16 CO 0.00 0.02 -0.04 0.03 -0.25 0.00 0.00 175.52 175.28 1hdn h ARG 17 N 0.12 -0.11 -0.89 4.72 2.47 -1.96 0.19 114.38 118.92 1hdn h ARG 17 Ca 0.39 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 59.11 1hdn h ARG 17 Cb 0.66 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.96 1hdn h ARG 17 CO -0.62 0.35 0.54 -1.35 0.56 0.00 0.00 179.97 179.45 1hdn h PRO 18 N -0.62 1.20 -0.24 0.04 0.11 -1.80 -0.42 132.00 130.27 1hdn h PRO 18 Ca -0.01 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1hdn h PRO 18 Cb 0.51 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1hdn h PRO 18 CO 0.02 0.84 0.15 0.00 -0.21 0.00 0.00 178.00 178.80 1hdn h ALA 19 N 1.37 0.30 -0.82 -0.75 0.00 -0.91 0.73 119.26 119.18 1hdn h ALA 19 Ca 0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1hdn h ALA 19 Cb -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1hdn h ALA 19 CO -0.06 -0.20 0.50 0.00 0.00 0.00 0.00 179.25 179.48 1hdn h ALA 20 N 1.06 1.33 -0.32 0.00 0.00 -0.61 -0.61 119.26 120.12 1hdn h ALA 20 Ca 0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1hdn h ALA 20 Cb -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1hdn h ALA 20 CO -0.02 0.58 -0.01 1.96 0.00 0.00 0.00 179.25 181.76 1hdn h GLN 21 N 1.13 0.56 -0.17 0.00 4.20 -0.71 -0.83 115.11 119.29 1hdn h GLN 21 Ca 0.30 -0.19 0.05 0.00 0.06 0.00 0.00 58.65 58.87 1hdn h GLN 21 Cb -0.06 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 1hdn h GLN 21 CO -0.06 0.71 -0.14 0.35 -0.67 0.00 0.00 178.83 179.02 1hdn h PHE 22 N 0.36 -0.36 -0.33 2.96 3.57 -0.56 -0.55 116.94 122.03 1hdn h PHE 22 Ca 0.09 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1hdn h PHE 22 Cb 0.46 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.31 1hdn h PHE 22 CO 0.04 -0.21 -0.17 0.28 -2.23 0.00 0.00 178.31 176.02 1hdn h VAL 23 N -0.16 0.49 0.13 1.41 2.07 -1.07 -0.06 116.25 119.06 1hdn h VAL 23 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.64 1hdn h VAL 23 Cb 0.32 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1hdn h VAL 23 CO -0.26 0.00 -0.23 0.50 0.02 0.00 0.00 177.57 177.60 1hdn h LYS 24 N -0.12 -0.42 -0.40 1.57 3.11 -0.62 -1.14 116.57 118.54 1hdn h LYS 24 Ca 0.17 0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.99 1hdn h LYS 24 Cb 0.38 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.69 1hdn h LYS 24 CO -0.41 -0.28 0.05 1.49 -2.81 0.00 0.00 179.45 177.50 1hdn h GLU 25 N -0.44 0.68 -1.00 1.90 4.57 -0.86 -2.98 114.58 116.45 1hdn h GLU 25 Ca 0.03 -0.19 0.09 0.00 -1.18 0.00 0.00 59.36 58.11 1hdn h GLU 25 Cb 0.45 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.89 1hdn h GLU 25 CO -0.12 0.73 0.64 0.00 -1.18 0.00 0.00 179.01 179.08 1hdn h ALA 26 N 0.92 1.45 0.00 2.92 0.00 -0.88 -0.29 119.26 123.38 1hdn h ALA 26 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1hdn h ALA 26 Cb 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1hdn h ALA 26 CO 0.01 0.33 0.05 1.63 0.00 0.00 0.00 179.25 181.28 1hdn n LYS 27 N -4.56 0.12 0.09 0.00 4.76 -0.44 -2.20 118.16 115.92 1hdn n LYS 27 Ca 0.17 0.61 -0.17 0.00 -2.87 0.00 0.00 58.31 56.05 1hdn n LYS 27 Cb 0.27 -1.94 -0.14 0.00 -1.84 0.00 0.00 35.03 31.38 1hdn n LYS 27 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1hdn h GLY 28 N 0.00 0.32 -1.85 0.72 0.00 -1.12 -3.48 103.07 97.65 1hdn h GLY 28 Ca 0.00 -0.81 -0.47 0.00 0.00 0.00 0.00 47.33 46.05 1hdn h GLY 28 CO 0.00 0.71 0.34 -1.36 0.00 0.00 0.00 176.54 176.23 1hdn s PHE 29 N -2.64 3.45 0.09 5.60 0.08 -0.94 -5.01 117.98 118.62 1hdn s PHE 29 Ca -0.06 1.42 -0.16 0.00 0.12 0.00 0.00 56.93 58.25 1hdn s PHE 29 Cb 0.07 -2.75 -0.09 0.00 -0.57 0.00 0.00 43.02 39.68 1hdn s PHE 29 CO 0.88 -0.33 1.41 1.79 -0.10 0.00 0.00 175.22 178.87 1hdn h THR 30 N 0.97 1.31 -4.03 0.64 1.35 -1.93 -3.45 112.91 107.77 1hdn h THR 30 Ca -0.47 -1.43 -0.55 0.00 -0.55 0.00 0.00 66.41 63.41 1hdn h THR 30 Cb 1.18 1.62 0.13 0.00 -1.73 0.00 0.00 68.15 69.35 1hdn h THR 30 CO 0.62 0.45 0.62 -0.94 -0.25 0.00 0.00 175.52 176.02 1hdn s SER 31 N -6.49 5.46 0.05 5.36 1.04 -1.26 -4.93 113.70 112.94 1hdn s SER 31 Ca -0.13 2.77 -0.27 0.00 0.48 0.00 0.00 55.95 58.81 1hdn s SER 31 Cb 0.08 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 1hdn s SER 31 CO 0.82 -1.44 0.83 -1.61 0.98 0.00 0.00 173.24 172.82 1hdn s GLU 32 N -2.79 4.55 -0.35 4.02 2.02 -0.70 -4.84 118.70 120.61 1hdn s GLU 32 Ca 0.69 1.18 -0.04 0.00 0.02 0.00 0.00 54.97 56.82 1hdn s GLU 32 Cb -0.40 -3.38 0.06 0.00 0.10 0.00 0.00 34.13 30.51 1hdn s GLU 32 CO 0.49 0.23 0.10 0.42 0.02 0.00 0.00 175.26 176.53 1hdn s ILE 33 N 0.07 3.40 -0.19 -1.63 -1.09 -1.26 -1.29 121.20 119.22 1hdn s ILE 33 Ca 0.42 -1.48 0.01 0.00 -2.23 0.00 0.00 60.65 57.36 1hdn s ILE 33 Cb -0.21 -3.05 0.02 0.00 -1.58 0.00 0.00 42.46 37.64 1hdn s ILE 33 CO 0.25 -0.31 -0.19 -0.89 -1.23 0.00 0.00 174.94 172.57 1hdn s THR 34 N 1.28 2.12 -0.73 2.92 2.01 0.15 -0.99 115.64 122.40 1hdn s THR 34 Ca -0.00 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.99 1hdn s THR 34 Cb -0.21 -1.92 0.19 0.00 0.01 0.00 0.00 72.50 70.57 1hdn s THR 34 CO -0.00 0.50 0.59 -0.69 -0.69 0.00 0.00 174.62 174.32 1hdn s VAL 35 N 1.29 4.17 -0.70 3.82 1.01 0.12 -0.37 120.40 129.74 1hdn s VAL 35 Ca 0.04 -3.17 -0.27 0.00 0.00 0.00 0.00 61.98 58.58 1hdn s VAL 35 Cb -0.14 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1hdn s VAL 35 CO -0.12 -0.96 1.39 -0.89 0.00 0.00 0.00 175.10 174.52 1hdn s THR 36 N -0.43 3.67 -0.78 3.92 2.01 -0.18 -2.63 115.64 121.24 1hdn s THR 36 Ca 0.20 0.41 -0.26 0.00 0.31 0.00 0.00 61.69 62.36 1hdn s THR 36 Cb -0.15 -4.70 0.01 0.00 0.01 0.00 0.00 72.50 67.67 1hdn s THR 36 CO -0.07 -1.61 1.51 -0.55 -0.69 0.00 0.00 174.62 173.21 1hdn s SER 37 N 4.55 5.92 -0.86 3.53 0.15 -0.96 -0.90 113.70 125.13 1hdn s SER 37 Ca 0.42 -0.47 -0.22 0.00 0.70 0.00 0.00 55.95 56.39 1hdn s SER 37 Cb -0.09 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1hdn s SER 37 CO 0.17 -1.99 0.50 -0.46 1.20 0.00 0.00 173.24 172.67 1hdn n ASN 38 N 10.49 -3.19 0.00 5.45 0.23 -1.22 -2.66 115.26 124.36 1hdn n ASN 38 Ca 0.16 -0.95 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 1hdn n ASN 38 Cb 0.50 -1.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.00 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 -1.74 2.40 3.75 4.83 0.00 -1.26 -5.07 105.19 108.10 1hdn n GLY 39 Ca -0.12 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 4.67 -0.11 1.61 1.02 -1.09 -5.06 119.74 120.78 1hdn s LYS 40 Ca 0.00 1.73 -0.08 0.00 0.02 0.00 0.00 55.97 57.64 1hdn s LYS 40 Cb 0.00 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1hdn s LYS 40 CO 0.00 0.23 0.17 -1.12 -0.92 0.00 0.00 175.35 173.70 1hdn s SER 41 N -0.72 6.43 -0.05 2.83 0.01 -1.26 -2.26 113.70 118.68 1hdn s SER 41 Ca 0.45 0.52 0.05 0.00 1.31 0.00 0.00 55.95 58.27 1hdn s SER 41 Cb -0.30 -2.09 -0.00 0.00 0.21 0.00 0.00 66.02 63.84 1hdn s SER 41 CO 0.38 0.40 -0.19 0.00 0.41 0.00 0.00 173.24 174.24 1hdn s ALA 42 N -1.04 1.66 -0.14 1.44 0.00 -1.08 -4.98 121.76 117.62 1hdn s ALA 42 Ca 0.16 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1hdn s ALA 42 Cb -0.12 -0.55 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 1hdn s ALA 42 CO 0.05 0.30 -0.17 0.45 0.00 0.00 0.00 175.76 176.39 1hdn s SER 43 N 0.03 3.52 0.35 0.00 0.15 -1.26 0.13 113.70 116.63 1hdn s SER 43 Ca -0.05 -0.49 0.25 0.00 0.70 0.00 0.00 55.95 56.36 1hdn s SER 43 Cb -0.12 -1.53 1.28 0.00 -1.71 0.00 0.00 66.02 63.94 1hdn s SER 43 CO 0.03 0.10 1.75 0.00 1.20 0.00 0.00 173.24 176.33 1hdn h ALA 44 N 7.15 1.00 0.00 5.45 0.00 -1.44 -1.18 119.26 130.24 1hdn h ALA 44 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1hdn h ALA 44 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1hdn h ALA 44 CO 0.55 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.43 1hdn n LYS 45 N -2.36 0.20 -4.45 0.00 4.76 -1.25 -4.25 118.16 110.80 1hdn n LYS 45 Ca -0.01 0.13 -0.21 0.00 -2.87 0.00 0.00 58.31 55.35 1hdn n LYS 45 Cb 0.08 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.61 1hdn n LYS 45 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1hdn s SER 46 N -2.66 1.36 0.09 4.39 0.15 -0.45 -5.03 113.70 111.55 1hdn s SER 46 Ca 0.15 -0.21 -0.26 0.00 0.70 0.00 0.00 55.95 56.32 1hdn s SER 46 Cb 0.12 -0.43 -0.16 0.00 -1.71 0.00 0.00 66.02 63.84 1hdn s SER 46 CO 0.28 0.06 1.70 0.25 1.20 0.00 0.00 173.24 176.73 1hdn h LEU 47 N 6.51 -0.29 -0.05 3.45 5.85 -1.80 -2.85 115.31 126.13 1hdn h LEU 47 Ca -0.33 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1hdn h LEU 47 Cb 1.17 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1hdn h LEU 47 CO 0.48 -0.20 0.02 0.15 -0.34 0.00 0.00 178.44 178.56 1hdn h PHE 48 N -0.32 0.08 -0.15 1.25 3.57 -1.96 0.69 116.94 120.09 1hdn h PHE 48 Ca -0.03 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1hdn h PHE 48 Cb 0.26 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1hdn h PHE 48 CO -0.07 0.20 -0.18 -0.22 -2.23 0.00 0.00 178.31 175.80 1hdn h LYS 49 N -0.06 0.25 0.02 1.11 3.64 -1.83 -2.29 116.57 117.41 1hdn h LYS 49 Ca 0.02 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 1hdn h LYS 49 Cb 0.15 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1hdn h LYS 49 CO -0.00 0.43 -0.57 1.25 -2.27 0.00 0.00 179.45 178.29 1hdn h LEU 50 N 0.23 0.46 -1.06 5.20 5.85 -1.14 -3.36 115.31 121.50 1hdn h LEU 50 Ca 0.04 -0.80 0.02 0.00 0.84 0.00 0.00 57.88 57.99 1hdn h LEU 50 Cb 0.46 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1hdn h LEU 50 CO 0.03 1.20 0.64 1.56 -0.34 0.00 0.00 178.44 181.53 1hdn h GLN 51 N -0.22 1.23 -0.96 1.25 4.20 -0.71 -3.03 115.11 116.86 1hdn h GLN 51 Ca -0.08 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.59 1hdn h GLN 51 Cb 1.31 -0.28 -0.05 0.00 0.30 0.00 0.00 27.48 28.75 1hdn h GLN 51 CO 0.11 0.82 0.63 0.00 -0.67 0.00 0.00 178.83 179.72 1hdn h THR 52 N 1.27 1.17 -3.80 -0.54 1.03 -1.58 -3.44 112.91 107.03 1hdn h THR 52 Ca 0.37 -0.42 -0.49 0.00 -0.01 0.00 0.00 66.41 65.86 1hdn h THR 52 Cb -0.08 -0.15 -0.01 0.00 -1.07 0.00 0.00 68.15 66.84 1hdn h THR 52 CO -0.09 0.22 0.40 -0.76 -0.01 0.00 0.00 175.52 175.27 1hdn s LEU 53 N -10.08 4.56 -1.14 0.00 2.01 -1.15 -4.96 118.68 107.92 1hdn s LEU 53 Ca -0.12 2.05 -0.23 0.00 0.01 0.00 0.00 54.13 55.83 1hdn s LEU 53 Cb 0.19 -3.69 -0.10 0.00 0.01 0.00 0.00 46.19 42.59 1hdn s LEU 53 CO 0.81 -0.00 1.97 -0.83 1.01 0.00 0.00 176.35 179.31 1hdn s GLY 54 N -1.14 -0.04 -1.55 -3.19 0.00 -1.26 -4.83 107.32 95.30 1hdn s GLY 54 Ca 0.44 -1.97 -0.09 0.00 0.00 0.00 0.00 44.72 43.09 1hdn s GLY 54 CO 0.34 3.67 2.79 1.04 0.00 0.00 0.00 173.10 180.93 1hdn n LEU 55 N 15.21 8.48 0.00 0.66 4.77 -1.26 -4.87 117.00 139.99 1hdn n LEU 55 Ca 0.44 -4.47 -0.27 0.00 -0.03 0.00 0.00 56.01 51.68 1hdn n LEU 55 Cb 0.47 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 39.97 1hdn n LEU 55 CO 0.65 2.00 -0.20 1.07 -1.33 0.00 0.00 177.39 179.59 1hdn n THR 56 N 3.29 0.00 -1.64 -5.08 5.66 -1.26 -2.36 114.28 112.89 1hdn n THR 56 Ca 0.73 -2.17 -0.50 0.00 -3.05 0.00 0.00 64.05 59.06 1hdn n THR 56 Cb 0.25 0.54 -0.05 0.00 -1.55 0.00 0.00 70.33 69.51 1hdn n THR 56 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1hdn n GLN 57 N -1.05 1.65 0.00 1.09 7.27 -1.22 -2.25 117.38 122.87 1hdn n GLN 57 Ca -0.15 0.60 0.00 0.00 0.07 0.00 0.00 57.00 57.52 1hdn n GLN 57 Cb 0.57 -2.32 0.00 0.00 2.41 0.00 0.00 30.24 30.91 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 3.28 2.93 3.64 1.69 0.00 0.43 -5.00 105.19 112.15 1hdn n GLY 58 Ca 0.19 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.19 3.19 -0.81 2.61 -4.23 -0.95 -4.79 115.64 108.46 1hdn s THR 59 Ca 0.00 0.22 -0.22 0.00 -1.18 0.00 0.00 61.69 60.51 1hdn s THR 59 Cb 0.00 -3.17 0.08 0.00 1.34 0.00 0.00 72.50 70.75 1hdn s THR 59 CO 0.00 -0.05 1.12 -0.69 -0.54 0.00 0.00 174.62 174.45 1hdn s VAL 60 N 5.47 4.35 -0.37 2.29 1.01 -1.26 -2.38 120.40 129.51 1hdn s VAL 60 Ca 0.87 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 1hdn s VAL 60 Cb -0.36 -4.79 0.00 0.00 0.00 0.00 0.00 36.38 31.23 1hdn s VAL 60 CO 0.37 -1.58 0.45 0.68 0.00 0.00 0.00 175.10 175.01 1hdn s VAL 61 N 3.86 5.08 -0.46 2.92 -7.23 -0.11 -3.38 120.40 121.07 1hdn s VAL 61 Ca 0.30 0.03 -0.21 0.00 -1.81 0.00 0.00 61.98 60.30 1hdn s VAL 61 Cb -0.10 -3.95 0.03 0.00 0.56 0.00 0.00 36.38 32.93 1hdn s VAL 61 CO 0.01 -0.25 0.68 -0.89 -0.31 0.00 0.00 175.10 174.34 1hdn s THR 62 N 2.21 4.78 -0.50 5.32 2.01 -0.08 -1.35 115.64 128.04 1hdn s THR 62 Ca 0.15 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.98 1hdn s THR 62 Cb -0.16 -4.27 0.04 0.00 0.01 0.00 0.00 72.50 68.12 1hdn s THR 62 CO 0.13 -0.70 0.72 -0.63 -0.69 0.00 0.00 174.62 173.45 1hdn s ILE 63 N 2.94 4.72 -0.21 1.82 1.01 0.33 -1.01 121.20 130.81 1hdn s ILE 63 Ca 0.23 -0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 1hdn s ILE 63 Cb -0.15 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1hdn s ILE 63 CO 0.18 -0.82 0.09 -0.55 0.00 0.00 0.00 174.94 173.84 1hdn s SER 64 N 2.51 5.68 -0.30 3.58 0.15 0.51 -1.94 113.70 123.88 1hdn s SER 64 Ca 0.22 0.04 -0.03 0.00 0.70 0.00 0.00 55.95 56.88 1hdn s SER 64 Cb -0.16 -2.00 0.04 0.00 -1.71 0.00 0.00 66.02 62.20 1hdn s SER 64 CO 0.16 0.11 0.02 0.00 1.20 0.00 0.00 173.24 174.73 1hdn s ALA 65 N 0.76 2.87 -0.53 5.45 0.00 -0.39 -0.67 121.76 129.25 1hdn s ALA 65 Ca 0.05 -1.68 -0.13 0.00 0.00 0.00 0.00 51.96 50.20 1hdn s ALA 65 Cb -0.13 -1.98 0.13 0.00 0.00 0.00 0.00 23.12 21.14 1hdn s ALA 65 CO 0.02 -1.17 0.45 -1.83 0.00 0.00 0.00 175.76 173.23 1hdn s GLU 66 N 1.32 2.81 0.00 0.00 -1.05 -0.41 -2.18 118.70 119.19 1hdn s GLU 66 Ca -0.03 -1.80 0.00 0.00 -0.15 0.00 0.00 54.97 52.99 1hdn s GLU 66 Cb -0.19 -4.14 0.00 0.00 -0.44 0.00 0.00 34.13 29.36 1hdn s GLU 66 CO -0.00 -1.27 0.00 0.41 0.95 0.00 0.00 175.26 175.35 1hdn n GLY 67 N 4.99 0.02 0.24 -3.83 0.00 -1.26 -1.73 105.19 103.62 1hdn n GLY 67 Ca -0.09 -1.38 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.51 -1.30 1.61 3.07 -1.93 -3.09 114.58 112.43 1hdn h GLU 68 Ca 0.00 0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 1hdn h GLU 68 Cb 0.00 0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 1hdn h GLU 68 CO 0.00 -0.27 0.11 -0.40 -1.40 0.00 0.00 179.01 177.05 1hdn n ASP 69 N -5.27 4.02 -0.18 1.42 5.68 -1.26 -4.70 116.55 116.26 1hdn n ASP 69 Ca -0.11 -2.38 -0.13 0.00 -0.50 0.00 0.00 54.79 51.68 1hdn n ASP 69 Cb 0.26 -0.75 -0.09 0.00 -1.14 0.00 0.00 41.12 39.41 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 0.50 -0.31 -0.63 0.11 4.11 -1.81 -0.79 114.58 115.76 1hdn h GLU 70 Ca 0.10 0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.46 1hdn h GLU 70 Cb 1.18 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1hdn h GLU 70 CO 0.20 -0.21 0.04 -0.56 0.07 0.00 0.00 179.01 178.54 1hdn h GLN 71 N -0.32 1.09 -0.24 1.06 -0.00 -1.90 -2.78 115.11 112.02 1hdn h GLN 71 Ca 0.10 -0.33 -0.12 0.00 -0.00 0.00 0.00 58.65 58.31 1hdn h GLN 71 Cb 0.57 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 27.94 1hdn h GLN 71 CO -0.65 1.04 -0.30 0.87 -0.00 0.00 0.00 178.83 179.78 1hdn h LYS 72 N 1.00 0.64 0.18 0.06 1.57 -1.72 -0.04 116.57 118.26 1hdn h LYS 72 Ca 0.18 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1hdn h LYS 72 Cb 0.53 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1hdn h LYS 72 CO 0.03 0.97 -0.16 0.00 -0.57 0.00 0.00 179.45 179.72 1hdn h ALA 73 N 0.66 -0.33 -0.30 3.86 0.00 -1.14 -2.20 119.26 119.81 1hdn h ALA 73 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hdn h ALA 73 Cb 0.88 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1hdn h ALA 73 CO 0.07 -0.70 0.19 0.28 0.00 0.00 0.00 179.25 179.09 1hdn h VAL 74 N -0.35 1.08 0.13 0.00 2.07 -1.33 -2.26 116.25 115.59 1hdn h VAL 74 Ca -0.00 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1hdn h VAL 74 Cb 0.32 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1hdn h VAL 74 CO -0.02 0.08 -0.42 -0.08 0.02 0.00 0.00 177.57 177.14 1hdn h GLU 75 N 0.40 -0.64 -0.43 1.57 4.81 -0.79 0.25 114.58 119.75 1hdn h GLU 75 Ca 0.11 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1hdn h GLU 75 Cb -0.04 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1hdn h GLU 75 CO -0.02 -0.42 0.26 1.25 -0.73 0.00 0.00 179.01 179.34 1hdn h HIS 76 N -0.66 0.56 -0.14 0.92 2.76 -1.38 -1.31 115.15 115.90 1hdn h HIS 76 Ca 0.02 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.07 1hdn h HIS 76 Cb 0.68 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1hdn h HIS 76 CO -0.36 0.39 -0.43 -0.07 -1.30 0.00 0.00 177.93 176.16 1hdn h LEU 77 N 0.57 0.35 -0.07 0.26 3.38 -0.98 -0.82 115.31 117.99 1hdn h LEU 77 Ca 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1hdn h LEU 77 Cb -0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1hdn h LEU 77 CO -0.03 0.74 -0.05 0.58 0.09 0.00 0.00 178.44 179.77 1hdn h VAL 78 N 0.27 1.35 -0.67 1.22 2.07 -0.35 -2.14 116.25 117.99 1hdn h VAL 78 Ca 0.02 -1.13 0.12 0.00 0.82 0.00 0.00 66.70 66.54 1hdn h VAL 78 Cb 0.87 1.95 -0.09 0.00 -1.52 0.00 0.00 31.29 32.51 1hdn h VAL 78 CO 0.07 0.31 0.22 0.11 0.02 0.00 0.00 177.57 178.31 1hdn h LYS 79 N -0.25 0.36 0.25 1.57 1.57 -1.06 -1.67 116.57 117.34 1hdn h LYS 79 Ca 0.01 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1hdn h LYS 79 Cb 0.52 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 1hdn h LYS 79 CO 0.01 0.24 -0.49 1.25 -0.57 0.00 0.00 179.45 179.89 1hdn h LEU 80 N 0.37 -1.43 -0.88 2.94 5.85 -1.14 -1.57 115.31 119.45 1hdn h LEU 80 Ca 0.36 0.14 0.21 0.00 0.84 0.00 0.00 57.88 59.43 1hdn h LEU 80 Cb 0.52 0.51 -0.12 0.00 0.37 0.00 0.00 40.66 41.94 1hdn h LEU 80 CO -0.39 -0.58 0.36 0.24 -0.34 0.00 0.00 178.44 177.73 1hdn h MET 81 N -0.81 0.36 -0.33 1.25 2.86 -1.07 -1.14 114.93 116.05 1hdn h MET 81 Ca -0.02 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1hdn h MET 81 Cb 0.78 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1hdn h MET 81 CO -0.20 0.24 0.11 0.00 1.06 0.00 0.00 176.91 178.12 1hdn h ALA 82 N 1.70 0.43 -0.01 6.32 0.00 -0.43 -3.27 119.26 124.01 1hdn h ALA 82 Ca 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1hdn h ALA 82 Cb 1.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1hdn h ALA 82 CO -0.53 0.06 -0.10 -0.85 0.00 0.00 0.00 179.25 177.83 1hdn n GLU 83 N -4.67 0.96 -3.23 0.00 0.28 -0.67 -4.64 120.64 108.67 1hdn n GLU 83 Ca -0.02 -0.41 -0.46 0.00 -0.16 0.00 0.00 57.16 56.12 1hdn n GLU 83 Cb 0.16 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.50 1hdn n GLU 83 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1hdn s LEU 84 N -2.32 6.02 0.00 -1.84 1.43 -0.48 -5.08 118.68 116.40 1hdn s LEU 84 Ca 0.32 -1.94 0.02 0.00 -1.03 0.00 0.00 54.13 51.50 1hdn s LEU 84 Cb 0.20 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 44.19 1hdn s LEU 84 CO 0.44 -0.88 0.56 1.21 0.23 0.00 0.00 176.35 177.91