#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 0.92 0.03 1.12 2.19 -0.79 -4.99 117.98 116.46 1hdn s PHE 2 Ca 0.00 -0.31 0.04 0.00 0.33 0.00 0.00 56.93 56.99 1hdn s PHE 2 Cb 0.00 -0.80 -0.04 0.00 -1.31 0.00 0.00 43.02 40.87 1hdn s PHE 2 CO 0.00 -0.25 -0.05 -0.65 1.83 0.00 0.00 175.22 176.10 1hdn s GLN 3 N 1.09 2.54 -0.22 10.12 -0.21 -1.26 -0.98 119.66 130.72 1hdn s GLN 3 Ca -0.08 -0.76 -0.10 0.00 0.02 0.00 0.00 55.36 54.43 1hdn s GLN 3 Cb -0.14 -2.51 0.08 0.00 1.00 0.00 0.00 33.01 31.44 1hdn s GLN 3 CO -0.01 0.58 0.52 -1.14 -2.12 0.00 0.00 175.29 173.12 1hdn s GLN 4 N -1.70 0.48 -0.58 2.91 0.74 -0.97 -5.01 119.66 115.53 1hdn s GLN 4 Ca 0.20 1.07 -0.10 0.00 0.05 0.00 0.00 55.36 56.57 1hdn s GLN 4 Cb -0.11 0.25 0.15 0.00 1.10 0.00 0.00 33.01 34.40 1hdn s GLN 4 CO 0.11 -0.19 0.47 -1.83 -0.55 0.00 0.00 175.29 173.29 1hdn s GLU 5 N 2.01 2.77 -0.28 1.67 -1.05 -1.26 -1.25 118.70 121.32 1hdn s GLU 5 Ca -0.07 -2.05 -0.15 0.00 -0.15 0.00 0.00 54.97 52.55 1hdn s GLU 5 Cb -0.09 -4.03 -0.03 0.00 -0.44 0.00 0.00 34.13 29.54 1hdn s GLU 5 CO -0.15 -1.22 0.38 0.08 0.95 0.00 0.00 175.26 175.29 1hdn s VAL 6 N 0.87 5.16 -0.27 1.83 1.01 0.34 -4.70 120.40 124.64 1hdn s VAL 6 Ca 0.10 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 1hdn s VAL 6 Cb -0.22 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 1hdn s VAL 6 CO -0.03 0.11 1.34 -0.89 0.00 0.00 0.00 175.10 175.64 1hdn s THR 7 N 2.08 4.09 0.17 3.92 2.01 -1.26 -0.03 115.64 126.62 1hdn s THR 7 Ca 0.15 1.25 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 1hdn s THR 7 Cb -0.16 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.21 1hdn s THR 7 CO 0.10 -0.40 1.04 -0.63 -0.69 0.00 0.00 174.62 174.04 1hdn s ILE 8 N 4.37 4.07 0.00 1.82 1.01 -0.33 -4.93 121.20 127.21 1hdn s ILE 8 Ca 0.58 1.79 0.00 0.00 0.00 0.00 0.00 60.65 63.02 1hdn s ILE 8 Cb -0.19 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1hdn s ILE 8 CO 0.23 0.31 0.00 1.07 0.00 0.00 0.00 174.94 176.55 1hdn n THR 9 N 2.39 0.00 -1.62 2.92 5.66 -1.26 -0.25 114.28 122.12 1hdn n THR 9 Ca 0.02 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.57 1hdn n THR 9 Cb 0.47 0.01 -0.02 0.00 -1.55 0.00 0.00 70.33 69.24 1hdn n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hdn n ALA 10 N -1.41 0.20 -0.36 1.79 0.00 -1.26 -4.92 120.51 114.54 1hdn n ALA 10 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.88 1hdn n ALA 10 Cb 0.14 -2.10 0.12 0.00 0.00 0.00 0.00 19.45 17.61 1hdn n ALA 10 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1hdn n PRO 11 N 0.96 -0.11 -0.30 0.00 -0.02 -1.26 -0.91 135.00 133.36 1hdn n PRO 11 Ca 0.09 1.55 0.08 0.00 -2.02 0.00 0.00 63.50 63.21 1hdn n PRO 11 Cb 0.32 -2.32 0.19 0.00 -0.02 0.00 0.00 33.50 31.67 1hdn n PRO 11 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1hdn n ASN 12 N -5.60 2.72 0.00 2.55 0.23 -1.26 -4.27 115.26 109.63 1hdn n ASN 12 Ca 0.15 -3.22 0.00 0.00 -0.53 0.00 0.00 54.58 50.98 1hdn n ASN 12 Cb 0.48 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 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 -1.12 0.52 3.09 4.83 0.00 -0.08 -4.12 105.19 108.32 1hdn n GLY 13 Ca 0.19 0.71 -0.33 0.00 0.00 0.00 0.00 46.02 46.60 1hdn n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hdn s LEU 14 N 0.00 3.40 0.00 0.99 1.43 0.15 -4.75 118.68 119.90 1hdn s LEU 14 Ca 0.00 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 1hdn s LEU 14 Cb 0.00 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1hdn s LEU 14 CO 0.00 -0.18 0.00 0.00 0.23 0.00 0.00 176.35 176.40 1hdn n HIS 15 N 4.48 -2.00 -0.27 0.29 1.44 -1.26 -4.40 115.22 113.51 1hdn n HIS 15 Ca -0.15 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.62 1hdn n HIS 15 Cb 0.43 0.00 0.20 0.00 0.12 0.00 0.00 29.99 30.74 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 -0.26 0.66 -0.21 0.61 1.35 -1.99 -1.59 112.91 111.48 1hdn h THR 16 Ca 0.00 -0.16 -0.07 0.00 -0.55 0.00 0.00 66.41 65.63 1hdn h THR 16 Cb 0.00 0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 66.56 1hdn h THR 16 CO 0.00 0.09 -0.15 -0.09 -0.25 0.00 0.00 175.52 175.12 1hdn h ARG 17 N 0.48 0.47 -0.02 4.72 2.43 -1.99 -2.05 114.38 118.42 1hdn h ARG 17 Ca 0.43 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1hdn h ARG 17 Cb 0.65 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1hdn h ARG 17 CO -0.40 0.78 -0.05 -1.35 -1.51 0.00 0.00 179.97 177.44 1hdn h PRO 18 N 0.16 0.03 -0.46 0.20 0.11 -1.89 0.10 132.00 130.25 1hdn h PRO 18 Ca 0.04 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.19 1hdn h PRO 18 Cb 0.66 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.73 1hdn h PRO 18 CO 0.04 0.08 0.23 0.00 -0.21 0.00 0.00 178.00 178.14 1hdn h ALA 19 N 1.92 0.59 -0.30 -0.75 0.00 -0.98 -0.84 119.26 118.91 1hdn h ALA 19 Ca 0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1hdn h ALA 19 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1hdn h ALA 19 CO 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 179.25 179.11 1hdn h ALA 20 N 1.25 0.40 -0.20 0.00 0.00 -0.69 -2.70 119.26 117.31 1hdn h ALA 20 Ca 0.20 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1hdn h ALA 20 Cb 0.11 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1hdn h ALA 20 CO -0.14 0.18 -0.24 1.96 0.00 0.00 0.00 179.25 181.01 1hdn h GLN 21 N 0.32 -0.26 0.19 0.00 4.20 -0.70 -2.04 115.11 116.82 1hdn h GLN 21 Ca 0.08 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1hdn h GLN 21 Cb 0.48 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1hdn h GLN 21 CO 0.02 -0.17 -0.50 0.74 -0.67 0.00 0.00 178.83 178.25 1hdn h PHE 22 N -0.27 -1.45 -0.48 2.96 -1.00 -1.00 -1.92 116.94 113.78 1hdn h PHE 22 Ca 0.12 0.03 0.08 0.00 2.81 0.00 0.00 57.97 61.02 1hdn h PHE 22 Cb 0.46 0.61 -0.10 0.00 3.61 0.00 0.00 35.95 40.52 1hdn h PHE 22 CO -0.38 -0.59 -0.40 0.28 -1.61 0.00 0.00 178.31 175.62 1hdn h VAL 23 N -0.77 0.13 -0.56 -0.55 2.07 -1.43 0.14 116.25 115.28 1hdn h VAL 23 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 1hdn h VAL 23 Cb 0.75 0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1hdn h VAL 23 CO -0.23 0.00 0.08 0.50 0.02 0.00 0.00 177.57 177.94 1hdn h LYS 24 N -0.26 0.21 0.34 1.57 3.64 -1.18 -0.52 116.57 120.36 1hdn h LYS 24 Ca 0.17 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1hdn h LYS 24 Cb 0.57 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1hdn h LYS 24 CO -0.62 0.14 -0.16 1.49 -2.27 0.00 0.00 179.45 178.03 1hdn h GLU 25 N 0.21 -0.44 -0.67 1.90 4.57 -0.70 -3.35 114.58 116.10 1hdn h GLU 25 Ca 0.29 0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.58 1hdn h GLU 25 Cb 0.43 0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.05 1hdn h GLU 25 CO -0.40 -0.12 0.33 0.00 -1.18 0.00 0.00 179.01 177.64 1hdn h ALA 26 N -0.51 0.90 -0.88 2.92 0.00 -0.64 -1.11 119.26 119.94 1hdn h ALA 26 Ca -0.05 0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.14 1hdn h ALA 26 Cb 0.53 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1hdn h ALA 26 CO 0.08 -0.05 0.61 0.87 0.00 0.00 0.00 179.25 180.75 1hdn h LYS 27 N 0.58 0.15 -0.06 0.00 1.57 -1.22 -2.12 116.57 115.47 1hdn h LYS 27 Ca 0.32 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1hdn h LYS 27 Cb 0.31 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1hdn h LYS 27 CO -0.25 0.10 0.04 0.78 -0.57 0.00 0.00 179.45 179.55 1hdn h GLY 28 N 0.16 0.08 -1.71 3.86 0.00 -1.34 -3.46 103.07 100.66 1hdn h GLY 28 Ca 0.43 -0.03 -0.54 0.00 0.00 0.00 0.00 47.33 47.19 1hdn h GLY 28 CO -0.08 0.03 0.38 -1.36 0.00 0.00 0.00 176.54 175.51 1hdn s PHE 29 N -6.16 1.86 -0.59 5.60 0.08 -0.80 -4.98 117.98 113.00 1hdn s PHE 29 Ca -0.13 1.63 0.24 0.00 0.12 0.00 0.00 56.93 58.79 1hdn s PHE 29 Cb 0.07 -3.53 0.37 0.00 -0.57 0.00 0.00 43.02 39.36 1hdn s PHE 29 CO 0.67 -2.86 1.38 1.79 -0.10 0.00 0.00 175.22 176.09 1hdn h THR 30 N -0.59 0.00 -3.94 0.64 1.35 -1.89 -3.44 112.91 105.04 1hdn h THR 30 Ca -0.47 -0.59 -0.48 0.00 -0.55 0.00 0.00 66.41 64.32 1hdn h THR 30 Cb 1.30 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1hdn h THR 30 CO 0.48 0.00 0.24 -0.94 -0.25 0.00 0.00 175.52 175.05 1hdn s SER 31 N -4.55 6.67 -0.12 5.36 1.04 -1.26 -3.11 113.70 117.73 1hdn s SER 31 Ca 0.06 1.40 -0.15 0.00 0.48 0.00 0.00 55.95 57.74 1hdn s SER 31 Cb 0.12 -2.43 -0.05 0.00 0.10 0.00 0.00 66.02 63.76 1hdn s SER 31 CO 0.71 -0.42 0.37 -1.61 0.98 0.00 0.00 173.24 173.26 1hdn s GLU 32 N -3.66 4.21 -0.41 4.02 0.41 0.14 -4.87 118.70 118.55 1hdn s GLU 32 Ca 0.56 0.26 -0.03 0.00 -0.41 0.00 0.00 54.97 55.35 1hdn s GLU 32 Cb -0.10 -3.39 0.11 0.00 -1.78 0.00 0.00 34.13 28.97 1hdn s GLU 32 CO 0.26 0.30 0.20 0.42 -0.49 0.00 0.00 175.26 175.94 1hdn s ILE 33 N 0.24 3.31 -0.21 -1.63 -1.09 -1.26 -0.58 121.20 119.97 1hdn s ILE 33 Ca 0.21 -2.02 -0.08 0.00 -2.23 0.00 0.00 60.65 56.54 1hdn s ILE 33 Cb -0.14 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 1hdn s ILE 33 CO 0.08 -0.67 0.07 -0.89 -1.23 0.00 0.00 174.94 172.30 1hdn s THR 34 N 1.15 4.66 -0.77 2.92 2.01 0.42 -0.44 115.64 125.59 1hdn s THR 34 Ca 0.08 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 1hdn s THR 34 Cb -0.23 -3.13 0.20 0.00 0.01 0.00 0.00 72.50 69.35 1hdn s THR 34 CO -0.04 0.41 0.63 -0.69 -0.69 0.00 0.00 174.62 174.24 1hdn s VAL 35 N 0.83 4.23 -0.01 3.82 1.01 0.86 -0.45 120.40 130.70 1hdn s VAL 35 Ca 0.04 -3.32 -0.30 0.00 0.00 0.00 0.00 61.98 58.40 1hdn s VAL 35 Cb -0.14 -3.67 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 1hdn s VAL 35 CO 0.02 -0.99 1.76 -0.89 0.00 0.00 0.00 175.10 175.00 1hdn s THR 36 N -0.63 3.32 -0.73 3.92 2.01 -0.90 -1.28 115.64 121.35 1hdn s THR 36 Ca 0.22 0.45 -0.18 0.00 0.31 0.00 0.00 61.69 62.49 1hdn s THR 36 Cb -0.13 -3.29 0.13 0.00 0.01 0.00 0.00 72.50 69.22 1hdn s THR 36 CO -0.08 -0.03 0.84 -0.55 -0.69 0.00 0.00 174.62 174.11 1hdn s SER 37 N 3.57 6.41 -0.27 3.53 0.15 0.33 -0.58 113.70 126.85 1hdn s SER 37 Ca 0.78 -1.82 -0.05 0.00 0.70 0.00 0.00 55.95 55.56 1hdn s SER 37 Cb -0.37 -2.32 0.01 0.00 -1.71 0.00 0.00 66.02 61.63 1hdn s SER 37 CO 0.34 -1.02 0.16 -0.46 1.20 0.00 0.00 173.24 173.46 1hdn n ASN 38 N 6.01 -1.09 0.00 5.45 6.94 -0.16 -1.42 115.26 131.00 1hdn n ASN 38 Ca 0.04 -0.30 0.00 0.00 -0.02 0.00 0.00 54.58 54.31 1hdn n ASN 38 Cb 0.45 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 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 -1.05 1.52 3.09 4.83 0.00 -1.26 -4.98 105.19 107.33 1hdn n GLY 39 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.04 0.98 -0.20 1.61 1.02 -0.50 -5.14 119.74 117.48 1hdn s LYS 40 Ca 0.00 -0.49 -0.09 0.00 0.02 0.00 0.00 55.97 55.41 1hdn s LYS 40 Cb 0.00 -0.96 -0.05 0.00 -0.52 0.00 0.00 37.83 36.31 1hdn s LYS 40 CO 0.00 0.26 0.11 -1.54 -0.92 0.00 0.00 175.35 173.26 1hdn s SER 41 N -0.43 6.00 -0.35 2.83 1.04 -1.26 -0.51 113.70 121.02 1hdn s SER 41 Ca 0.04 0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.63 1hdn s SER 41 Cb -0.05 -2.05 0.08 0.00 0.10 0.00 0.00 66.02 64.10 1hdn s SER 41 CO -0.00 0.17 0.09 0.00 0.98 0.00 0.00 173.24 174.48 1hdn s ALA 42 N 0.44 2.97 -0.13 5.32 0.00 -0.41 -4.93 121.76 125.01 1hdn s ALA 42 Ca 0.06 -2.22 -0.29 0.00 0.00 0.00 0.00 51.96 49.51 1hdn s ALA 42 Cb -0.12 -2.14 -0.07 0.00 0.00 0.00 0.00 23.12 20.79 1hdn s ALA 42 CO -0.01 -1.57 2.13 0.45 0.00 0.00 0.00 175.76 176.76 1hdn n SER 43 N 4.55 3.53 -0.12 0.00 2.88 -1.26 -0.09 113.62 123.10 1hdn n SER 43 Ca -0.06 0.48 0.15 0.00 -1.33 0.00 0.00 58.87 58.11 1hdn n SER 43 Cb 0.42 -1.53 0.83 0.00 -0.75 0.00 0.00 64.21 63.19 1hdn n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hdn n ALA 44 N 10.03 2.66 -0.04 -1.46 0.00 0.41 -2.67 120.51 129.44 1hdn n ALA 44 Ca 0.27 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1hdn n ALA 44 Cb 0.42 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.31 1hdn n ALA 44 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1hdn h LYS 45 N 0.58 0.15 -6.26 0.00 1.57 -1.89 -3.13 116.57 107.59 1hdn h LYS 45 Ca 0.00 -0.26 -0.56 0.00 -1.87 0.00 0.00 60.65 57.96 1hdn h LYS 45 Cb 0.12 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1hdn h LYS 45 CO 0.00 1.13 1.06 0.45 -0.57 0.00 0.00 179.45 181.52 1hdn s SER 46 N -6.97 6.57 0.12 0.86 0.15 -1.16 -4.89 113.70 108.38 1hdn s SER 46 Ca -0.25 1.73 -0.16 0.00 0.70 0.00 0.00 55.95 57.97 1hdn s SER 46 Cb 0.06 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 1hdn s SER 46 CO 0.69 -1.08 1.63 0.25 1.20 0.00 0.00 173.24 175.94 1hdn h LEU 47 N 10.94 0.57 -1.01 3.45 5.85 -1.88 -0.55 115.31 132.68 1hdn h LEU 47 Ca -0.33 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.09 1hdn h LEU 47 Cb 1.14 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1hdn h LEU 47 CO 0.99 0.64 -0.17 0.15 -0.34 0.00 0.00 178.44 179.72 1hdn h PHE 48 N 0.47 0.57 0.02 1.25 3.57 -1.92 -0.90 116.94 120.00 1hdn h PHE 48 Ca 0.12 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1hdn h PHE 48 Cb 0.29 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.89 1hdn h PHE 48 CO 0.01 0.66 -0.26 -0.22 -2.23 0.00 0.00 178.31 176.27 1hdn h LYS 49 N 0.47 0.15 -0.45 1.11 3.64 -1.80 -3.15 116.57 116.54 1hdn h LYS 49 Ca 0.08 -0.18 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1hdn h LYS 49 Cb 0.56 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 1hdn h LYS 49 CO 0.04 0.97 -0.06 1.25 -2.27 0.00 0.00 179.45 179.37 1hdn h LEU 50 N -0.58 -0.31 -1.83 5.20 5.85 -0.80 -2.43 115.31 120.43 1hdn h LEU 50 Ca -0.04 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1hdn h LEU 50 Cb 1.07 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1hdn h LEU 50 CO 0.05 -0.11 -0.14 1.56 -0.34 0.00 0.00 178.44 179.46 1hdn h GLN 51 N 0.05 0.00 0.00 1.25 4.20 -1.30 -2.35 115.11 116.96 1hdn h GLN 51 Ca 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1hdn h GLN 51 Cb 0.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1hdn h GLN 51 CO -0.42 0.14 -0.04 0.00 -0.67 0.00 0.00 178.83 177.84 1hdn h THR 52 N 0.00 0.09 -3.36 -0.54 1.03 -1.39 -3.43 112.91 105.31 1hdn h THR 52 Ca -0.00 -0.81 -0.56 0.00 -0.01 0.00 0.00 66.41 65.03 1hdn h THR 52 Cb 0.30 1.74 -0.05 0.00 -1.07 0.00 0.00 68.15 69.08 1hdn h THR 52 CO 0.02 0.04 0.06 -0.76 -0.01 0.00 0.00 175.52 174.87 1hdn s LEU 53 N -6.27 4.45 -0.98 0.00 2.01 -0.89 -5.02 118.68 112.00 1hdn s LEU 53 Ca 0.03 1.31 -0.24 0.00 0.01 0.00 0.00 54.13 55.24 1hdn s LEU 53 Cb 0.08 -3.05 0.03 0.00 0.01 0.00 0.00 46.19 43.25 1hdn s LEU 53 CO 0.60 0.10 1.53 -0.83 1.01 0.00 0.00 176.35 178.77 1hdn s GLY 54 N -0.33 1.03 -1.21 -3.19 0.00 -1.26 -4.92 107.32 97.44 1hdn s GLY 54 Ca 0.34 -2.05 -0.05 0.00 0.00 0.00 0.00 44.72 42.95 1hdn s GLY 54 CO 0.20 2.84 1.98 1.04 0.00 0.00 0.00 173.10 179.16 1hdn n LEU 55 N 9.88 7.25 -4.89 0.66 4.77 -1.26 -4.94 117.00 128.47 1hdn n LEU 55 Ca 0.32 -4.98 -0.23 0.00 -0.03 0.00 0.00 56.01 51.09 1hdn n LEU 55 Cb 0.50 -1.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.24 1hdn n LEU 55 CO 0.65 1.81 0.04 0.28 -1.33 0.00 0.00 177.39 178.84 1hdn s THR 56 N -1.64 2.12 0.25 -5.08 -1.32 -1.26 0.29 115.64 109.00 1hdn s THR 56 Ca 0.43 -1.41 -0.30 0.00 -1.21 0.00 0.00 61.69 59.20 1hdn s THR 56 Cb 0.14 -2.53 -0.14 0.00 -1.51 0.00 0.00 72.50 68.46 1hdn s THR 56 CO -0.04 0.00 1.14 1.67 -2.21 0.00 0.00 174.62 175.18 1hdn n GLN 57 N -1.69 1.45 0.00 7.08 7.27 -1.25 -2.27 117.38 127.97 1hdn n GLN 57 Ca 0.02 0.51 0.00 0.00 0.07 0.00 0.00 57.00 57.60 1hdn n GLN 57 Cb 0.63 -1.98 0.00 0.00 2.41 0.00 0.00 30.24 31.30 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 1.59 2.66 3.67 1.69 0.00 0.66 -4.98 105.19 110.49 1hdn n GLY 58 Ca 0.11 -0.64 -0.46 0.00 0.00 0.00 0.00 46.02 45.03 1hdn n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hdn n THR 59 N 0.00 0.61 -2.88 2.61 -2.24 -0.96 -4.53 114.28 106.88 1hdn n THR 59 Ca 0.00 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 1hdn n THR 59 Cb 0.00 -2.02 -0.05 0.00 -2.10 0.00 0.00 70.33 66.16 1hdn n THR 59 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1hdn s VAL 60 N 4.01 4.54 -0.30 2.28 1.01 -1.26 -1.18 120.40 129.49 1hdn s VAL 60 Ca 0.90 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 63.36 1hdn s VAL 60 Cb -0.60 -4.40 -0.01 0.00 0.00 0.00 0.00 36.38 31.38 1hdn s VAL 60 CO 0.47 -0.81 0.13 0.68 0.00 0.00 0.00 175.10 175.57 1hdn s VAL 61 N 3.57 4.50 -0.78 2.92 -7.23 0.96 -0.99 120.40 123.35 1hdn s VAL 61 Ca 0.33 -0.39 -0.25 0.00 -1.81 0.00 0.00 61.98 59.87 1hdn s VAL 61 Cb -0.11 -3.26 0.05 0.00 0.56 0.00 0.00 36.38 33.62 1hdn s VAL 61 CO 0.24 0.12 1.22 -0.89 -0.31 0.00 0.00 175.10 175.48 1hdn s THR 62 N 1.61 3.99 -0.89 5.32 2.01 0.25 -0.50 115.64 127.42 1hdn s THR 62 Ca 0.05 -0.15 -0.24 0.00 0.31 0.00 0.00 61.69 61.65 1hdn s THR 62 Cb -0.17 -4.87 -0.01 0.00 0.01 0.00 0.00 72.50 67.46 1hdn s THR 62 CO 0.06 -1.74 1.71 -0.63 -0.69 0.00 0.00 174.62 173.32 1hdn s ILE 63 N 4.94 3.62 -0.43 1.82 1.01 -0.38 -2.11 121.20 129.68 1hdn s ILE 63 Ca 0.33 -0.36 -0.15 0.00 0.00 0.00 0.00 60.65 60.48 1hdn s ILE 63 Cb -0.09 -4.43 0.03 0.00 0.01 0.00 0.00 42.46 37.99 1hdn s ILE 63 CO 0.07 -1.35 0.32 -0.55 0.00 0.00 0.00 174.94 173.44 1hdn s SER 64 N 6.65 6.11 -0.45 3.58 0.15 0.41 -2.28 113.70 127.87 1hdn s SER 64 Ca 0.59 -1.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.15 1hdn s SER 64 Cb -0.05 -2.16 0.11 0.00 -1.71 0.00 0.00 66.02 62.21 1hdn s SER 64 CO 0.00 -0.50 0.30 0.00 1.20 0.00 0.00 173.24 174.25 1hdn s ALA 65 N 1.67 3.32 -0.87 5.45 0.00 -0.16 -0.44 121.76 130.74 1hdn s ALA 65 Ca 0.05 -2.50 -0.15 0.00 0.00 0.00 0.00 51.96 49.35 1hdn s ALA 65 Cb -0.20 -2.70 0.19 0.00 0.00 0.00 0.00 23.12 20.41 1hdn s ALA 65 CO 0.09 -1.85 0.89 -1.83 0.00 0.00 0.00 175.76 173.05 1hdn s GLU 66 N 1.31 3.62 0.00 0.00 -1.05 0.25 -1.88 118.70 120.95 1hdn s GLU 66 Ca 0.06 -2.26 0.00 0.00 -0.15 0.00 0.00 54.97 52.62 1hdn s GLU 66 Cb -0.25 -4.59 0.00 0.00 -0.44 0.00 0.00 34.13 28.85 1hdn s GLU 66 CO -0.01 -1.44 0.00 0.41 0.95 0.00 0.00 175.26 175.17 1hdn n GLY 67 N 4.42 0.12 0.49 -3.83 0.00 -1.26 -0.68 105.19 104.45 1hdn n GLY 67 Ca 0.17 -1.52 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 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 1.08 -1.01 -2.01 1.61 5.08 -1.90 -2.94 114.58 114.48 1hdn h GLU 68 Ca 0.00 0.07 -0.35 0.00 -1.00 0.00 0.00 59.36 58.08 1hdn h GLU 68 Cb 0.00 0.23 -0.12 0.00 0.50 0.00 0.00 28.75 29.36 1hdn h GLU 68 CO 0.00 -0.67 0.05 -0.40 -1.00 0.00 0.00 179.01 176.99 1hdn n ASP 69 N -5.58 5.90 -0.04 1.42 5.68 -1.26 -4.73 116.55 117.95 1hdn n ASP 69 Ca -0.13 -2.85 -0.08 0.00 -0.50 0.00 0.00 54.79 51.23 1hdn n ASP 69 Cb 0.47 -1.33 -0.02 0.00 -1.14 0.00 0.00 41.12 39.10 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 3.03 -0.24 -0.06 0.11 4.11 -1.79 -0.56 114.58 119.17 1hdn h GLU 70 Ca 0.30 0.02 -0.17 0.00 0.07 0.00 0.00 59.36 59.58 1hdn h GLU 70 Cb 1.10 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.42 1hdn h GLU 70 CO 0.57 -0.16 -0.61 -0.56 0.07 0.00 0.00 179.01 178.32 1hdn h GLN 71 N -0.25 0.52 -0.02 1.06 -0.00 -1.90 -3.15 115.11 111.37 1hdn h GLN 71 Ca 0.13 -0.48 -0.00 0.00 -0.00 0.00 0.00 58.65 58.30 1hdn h GLN 71 Cb 0.45 0.12 -0.00 0.00 -0.00 0.00 0.00 27.48 28.05 1hdn h GLN 71 CO -0.37 1.11 0.01 0.87 -0.00 0.00 0.00 178.83 180.45 1hdn h LYS 72 N 0.10 0.03 -0.36 0.06 1.57 -1.88 -1.64 116.57 114.46 1hdn h LYS 72 Ca -0.06 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1hdn h LYS 72 Cb 1.28 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.50 1hdn h LYS 72 CO 0.12 0.05 -0.20 0.00 -0.57 0.00 0.00 179.45 178.85 1hdn h ALA 73 N 0.97 0.04 0.11 3.86 0.00 -1.24 -1.84 119.26 121.16 1hdn h ALA 73 Ca 0.01 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1hdn h ALA 73 Cb 0.03 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1hdn h ALA 73 CO -0.00 -0.59 -0.35 0.28 0.00 0.00 0.00 179.25 178.59 1hdn h VAL 74 N -0.15 0.27 0.26 0.00 2.07 -1.44 -1.68 116.25 115.58 1hdn h VAL 74 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1hdn h VAL 74 Cb 0.43 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1hdn h VAL 74 CO -0.45 0.00 -0.16 -0.33 0.02 0.00 0.00 177.57 176.65 1hdn h GLU 75 N -0.57 -0.39 -0.51 1.57 5.08 -1.10 -1.78 114.58 116.88 1hdn h GLU 75 Ca 0.03 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1hdn h GLU 75 Cb 0.61 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 1hdn h GLU 75 CO -0.21 -0.26 0.08 1.25 -1.00 0.00 0.00 179.01 178.87 1hdn h HIS 76 N -0.41 0.13 -0.41 4.33 2.76 -1.29 -2.16 115.15 118.09 1hdn h HIS 76 Ca -0.02 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 1hdn h HIS 76 Cb 0.34 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 1hdn h HIS 76 CO -0.09 -0.03 -0.10 -0.07 -1.30 0.00 0.00 177.93 176.33 1hdn h LEU 77 N 0.21 0.72 -0.19 0.26 3.38 -1.06 -1.47 115.31 117.15 1hdn h LEU 77 Ca 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1hdn h LEU 77 Cb 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1hdn h LEU 77 CO -0.36 0.85 0.04 0.58 0.09 0.00 0.00 178.44 179.64 1hdn h VAL 78 N 0.66 1.22 -0.91 1.22 2.07 -1.00 -1.80 116.25 117.71 1hdn h VAL 78 Ca 0.12 -0.70 0.14 0.00 0.82 0.00 0.00 66.70 67.07 1hdn h VAL 78 Cb 0.56 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 1hdn h VAL 78 CO 0.03 0.22 0.59 0.11 0.02 0.00 0.00 177.57 178.54 1hdn h LYS 79 N 0.12 0.72 0.18 1.57 1.57 -1.34 -0.61 116.57 118.78 1hdn h LYS 79 Ca 0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1hdn h LYS 79 Cb 0.29 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1hdn h LYS 79 CO 0.00 0.48 -0.09 1.25 -0.57 0.00 0.00 179.45 180.53 1hdn h LEU 80 N 0.75 -0.20 -0.29 2.94 6.46 -0.81 -3.03 115.31 121.12 1hdn h LEU 80 Ca 0.46 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.19 1hdn h LEU 80 Cb 0.69 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 1hdn h LEU 80 CO -0.22 -0.10 0.18 -0.03 -0.62 0.00 0.00 178.44 177.65 1hdn h MET 81 N -0.29 0.39 0.00 1.25 4.05 -1.06 -2.77 114.93 116.51 1hdn h MET 81 Ca -0.02 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1hdn h MET 81 Cb 0.22 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1hdn h MET 81 CO 0.04 0.29 0.25 0.00 0.23 0.00 0.00 176.91 177.73 1hdn n ALA 82 N -2.19 0.68 -2.39 0.39 0.00 -0.26 -1.87 120.51 114.87 1hdn n ALA 82 Ca -0.02 0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 1hdn n ALA 82 Cb 0.04 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 18.65 1hdn n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1hdn n GLU 83 N -2.07 2.95 -4.23 0.00 0.28 -1.04 -5.03 120.64 111.50 1hdn n GLU 83 Ca -0.01 -4.08 -0.30 0.00 -0.16 0.00 0.00 57.16 52.61 1hdn n GLU 83 Cb 0.28 -2.03 -0.16 0.00 1.43 0.00 0.00 31.44 30.95 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 -3.54 1.82 0.00 -1.84 1.43 -0.78 -5.05 118.68 110.72 1hdn s LEU 84 Ca 0.43 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1hdn s LEU 84 Cb 0.40 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1hdn s LEU 84 CO -0.06 -0.01 0.07 -0.62 0.23 0.00 0.00 176.35 175.96