#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 2.34 -0.04 1.12 5.36 -0.84 -4.97 117.98 120.95 1hdn s PHE 2 Ca 0.00 -0.41 0.04 0.00 -0.96 0.00 0.00 56.93 55.60 1hdn s PHE 2 Cb 0.00 -1.43 -0.00 0.00 -0.34 0.00 0.00 43.02 41.25 1hdn s PHE 2 CO 0.00 0.09 -0.16 -1.14 -1.46 0.00 0.00 175.22 172.55 1hdn s GLN 3 N -1.08 1.60 -0.23 10.12 -0.44 -1.26 -0.38 119.66 127.99 1hdn s GLN 3 Ca 0.11 -0.56 -0.02 0.00 -2.50 0.00 0.00 55.36 52.39 1hdn s GLN 3 Cb -0.10 -1.42 0.07 0.00 -1.64 0.00 0.00 33.01 29.92 1hdn s GLN 3 CO 0.01 0.24 0.05 -1.14 0.50 0.00 0.00 175.29 174.96 1hdn s GLN 4 N -0.00 0.67 -0.92 1.67 0.74 -1.03 -4.96 119.66 115.83 1hdn s GLN 4 Ca -0.02 -0.61 -0.24 0.00 0.05 0.00 0.00 55.36 54.53 1hdn s GLN 4 Cb -0.10 -2.03 0.03 0.00 1.10 0.00 0.00 33.01 32.00 1hdn s GLN 4 CO 0.01 -0.75 1.50 -1.83 -0.55 0.00 0.00 175.29 173.68 1hdn s GLU 5 N 1.80 3.31 -0.09 1.67 -1.05 -1.26 -1.57 118.70 121.50 1hdn s GLU 5 Ca 0.02 -0.72 -0.01 0.00 -0.15 0.00 0.00 54.97 54.12 1hdn s GLU 5 Cb -0.17 -5.00 -0.03 0.00 -0.44 0.00 0.00 34.13 28.48 1hdn s GLU 5 CO -0.14 -2.39 -0.05 0.08 0.95 0.00 0.00 175.26 173.71 1hdn s VAL 6 N 6.08 3.88 0.13 1.83 1.01 -0.88 -4.90 120.40 127.54 1hdn s VAL 6 Ca 0.48 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1hdn s VAL 6 Cb -0.03 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 1hdn s VAL 6 CO -0.02 0.58 0.43 0.42 0.00 0.00 0.00 175.10 176.52 1hdn s THR 7 N -0.58 5.06 -0.19 3.92 -4.23 -1.26 -0.17 115.64 118.19 1hdn s THR 7 Ca 0.09 0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 60.96 1hdn s THR 7 Cb -0.12 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.07 1hdn s THR 7 CO 0.02 0.16 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.56 1hdn s ILE 8 N -1.54 3.23 -0.03 2.99 1.01 -0.19 -4.97 121.20 121.70 1hdn s ILE 8 Ca 0.38 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.52 1hdn s ILE 8 Cb -0.13 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.84 1hdn s ILE 8 CO 0.20 0.46 0.04 1.07 0.00 0.00 0.00 174.94 176.71 1hdn n THR 9 N 4.45 0.21 -1.59 2.92 5.66 -1.26 -0.87 114.28 123.79 1hdn n THR 9 Ca -0.18 -0.16 -0.46 0.00 -3.05 0.00 0.00 64.05 60.19 1hdn n THR 9 Cb 0.51 -0.50 -0.03 0.00 -1.55 0.00 0.00 70.33 68.76 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 -2.01 -0.40 0.08 1.79 0.00 -1.26 -4.73 120.51 113.99 1hdn n ALA 10 Ca -0.05 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.69 1hdn n ALA 10 Cb 0.48 -2.04 -0.05 0.00 0.00 0.00 0.00 19.45 17.85 1hdn n ALA 10 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1hdn h PRO 11 N 2.73 -0.40 -0.24 0.00 0.13 -1.99 -1.52 132.00 130.70 1hdn h PRO 11 Ca -0.41 0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 1hdn h PRO 11 Cb 1.34 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.54 1hdn h PRO 11 CO 0.66 -0.27 -0.06 -2.95 -0.23 0.00 0.00 178.00 175.15 1hdn h ASN 12 N -0.41 0.35 -2.26 1.44 7.08 -1.98 -3.37 115.58 116.43 1hdn h ASN 12 Ca 0.05 -0.07 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1hdn h ASN 12 Cb 0.47 -0.09 -0.00 0.00 -2.08 0.00 0.00 38.32 36.62 1hdn h ASN 12 CO -0.18 0.46 -0.01 0.61 -2.08 0.00 0.00 177.43 176.23 1hdn n GLY 13 N -0.91 -1.42 3.55 9.14 0.00 -0.58 -4.62 105.19 110.36 1hdn n GLY 13 Ca 0.00 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 1hdn n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hdn s LEU 14 N 0.00 4.04 1.31 0.99 0.20 0.28 -4.93 118.68 120.57 1hdn s LEU 14 Ca 0.00 -2.38 -0.19 0.00 0.69 0.00 0.00 54.13 52.25 1hdn s LEU 14 Cb 0.00 -2.54 0.33 0.00 -0.43 0.00 0.00 46.19 43.55 1hdn s LEU 14 CO 0.00 -1.14 0.98 -1.38 -0.29 0.00 0.00 176.35 174.52 1hdn s HIS 15 N 3.82 0.20 0.31 5.38 -3.43 -1.26 -4.42 115.29 115.89 1hdn s HIS 15 Ca 0.50 0.75 0.01 0.00 -0.80 0.00 0.00 55.06 55.52 1hdn s HIS 15 Cb 0.02 -3.04 0.55 0.00 -1.43 0.00 0.00 32.58 28.69 1hdn s HIS 15 CO 0.03 -4.47 1.94 1.79 -2.00 0.00 0.00 174.74 172.03 1hdn h THR 16 N -3.05 1.10 -0.11 -5.38 1.35 -1.93 0.87 112.91 105.76 1hdn h THR 16 Ca -0.50 -0.34 -0.06 0.00 -0.55 0.00 0.00 66.41 64.96 1hdn h THR 16 Cb 1.33 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1hdn h THR 16 CO 0.37 0.18 -0.15 0.03 -0.25 0.00 0.00 175.52 175.70 1hdn h ARG 17 N 0.99 0.30 -0.48 4.72 2.47 -1.99 0.15 114.38 120.54 1hdn h ARG 17 Ca 0.35 -0.17 0.04 0.00 -1.26 0.00 0.00 59.98 58.93 1hdn h ARG 17 Cb 0.12 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 1hdn h ARG 17 CO -0.11 0.74 0.26 -1.35 0.56 0.00 0.00 179.97 180.06 1hdn h PRO 18 N -0.12 0.49 -0.98 0.04 0.11 -1.83 -2.51 132.00 127.20 1hdn h PRO 18 Ca 0.01 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.18 1hdn h PRO 18 Cb 0.70 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 31.63 1hdn h PRO 18 CO 0.04 0.32 0.63 0.00 -0.21 0.00 0.00 178.00 178.78 1hdn h ALA 19 N 1.25 1.48 -0.38 -0.75 0.00 -0.70 0.86 119.26 121.03 1hdn h ALA 19 Ca 0.21 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1hdn h ALA 19 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1hdn h ALA 19 CO -0.13 0.33 0.03 0.00 0.00 0.00 0.00 179.25 179.48 1hdn h ALA 20 N 1.50 0.51 -0.83 0.00 0.00 -0.62 -0.44 119.26 119.39 1hdn h ALA 20 Ca 0.45 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1hdn h ALA 20 Cb 0.31 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1hdn h ALA 20 CO -0.20 0.25 0.53 0.37 0.00 0.00 0.00 179.25 180.20 1hdn h GLN 21 N 0.48 1.00 0.03 0.00 5.75 -0.91 -0.85 115.11 120.61 1hdn h GLN 21 Ca 0.11 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1hdn h GLN 21 Cb 0.42 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1hdn h GLN 21 CO 0.01 0.66 -0.06 0.35 -2.65 0.00 0.00 178.83 177.14 1hdn h PHE 22 N 1.03 -0.15 -0.81 3.99 3.04 -0.74 -2.21 116.94 121.08 1hdn h PHE 22 Ca 0.33 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.38 1hdn h PHE 22 Cb 0.01 0.06 -0.07 0.00 2.56 0.00 0.00 35.95 38.51 1hdn h PHE 22 CO -0.03 -0.10 0.45 0.28 -2.02 0.00 0.00 178.31 176.90 1hdn h VAL 23 N -0.12 0.88 -0.05 1.41 2.07 -0.84 0.68 116.25 120.28 1hdn h VAL 23 Ca 0.02 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1hdn h VAL 23 Cb 0.13 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.92 1hdn h VAL 23 CO -0.04 0.14 -0.31 0.50 0.02 0.00 0.00 177.57 177.87 1hdn h LYS 24 N 0.74 -0.41 -0.53 1.57 3.11 -0.74 0.54 116.57 120.85 1hdn h LYS 24 Ca 0.40 0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.24 1hdn h LYS 24 Cb 0.40 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.70 1hdn h LYS 24 CO -0.26 -0.28 0.24 1.49 -2.81 0.00 0.00 179.45 177.84 1hdn h GLU 25 N -0.43 0.77 -0.81 1.90 4.57 -0.90 -3.04 114.58 116.64 1hdn h GLU 25 Ca 0.08 -0.12 0.07 0.00 -1.18 0.00 0.00 59.36 58.20 1hdn h GLU 25 Cb 0.54 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.93 1hdn h GLU 25 CO -0.30 0.64 0.49 0.00 -1.18 0.00 0.00 179.01 178.67 1hdn h ALA 26 N 1.08 1.12 -0.96 2.92 0.00 -0.62 -1.60 119.26 121.22 1hdn h ALA 26 Ca 0.18 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.31 1hdn h ALA 26 Cb 0.14 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 1hdn h ALA 26 CO -0.02 0.20 0.62 0.87 0.00 0.00 0.00 179.25 180.92 1hdn h LYS 27 N 0.88 0.46 -0.94 0.00 1.79 -0.77 -2.57 116.57 115.42 1hdn h LYS 27 Ca 0.36 -0.03 -0.31 0.00 -2.18 0.00 0.00 60.65 58.50 1hdn h LYS 27 Cb 0.21 -0.10 -0.18 0.00 -1.58 0.00 0.00 32.23 30.58 1hdn h LYS 27 CO -0.19 0.30 0.39 0.41 -1.08 0.00 0.00 179.45 179.28 1hdn n GLY 28 N -1.47 3.59 3.45 3.86 0.00 -0.60 -4.85 105.19 109.17 1hdn n GLY 28 Ca 0.21 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.41 2.44 0.06 1.61 0.08 -0.97 -5.07 117.98 113.72 1hdn s PHE 29 Ca 0.42 -0.31 -0.19 0.00 0.12 0.00 0.00 56.93 56.97 1hdn s PHE 29 Cb 0.34 -1.31 -0.12 0.00 -0.57 0.00 0.00 43.02 41.37 1hdn s PHE 29 CO 0.09 0.36 1.39 1.79 -0.10 0.00 0.00 175.22 178.75 1hdn h THR 30 N 3.69 1.32 -2.86 0.64 1.35 -1.88 -3.44 112.91 111.73 1hdn h THR 30 Ca -0.50 -1.27 -0.58 0.00 -0.55 0.00 0.00 66.41 63.51 1hdn h THR 30 Cb 1.17 1.73 0.09 0.00 -1.73 0.00 0.00 68.15 69.41 1hdn h THR 30 CO 0.43 0.39 0.60 -1.54 -0.25 0.00 0.00 175.52 175.14 1hdn n SER 31 N -4.51 2.81 -4.44 5.36 3.41 -1.26 -4.86 113.62 110.13 1hdn n SER 31 Ca -0.05 1.16 -0.44 0.00 -0.26 0.00 0.00 58.87 59.27 1hdn n SER 31 Cb 0.37 -1.45 -0.01 0.00 -0.26 0.00 0.00 64.21 62.86 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 -0.77 3.93 -0.78 4.33 2.12 0.74 -4.88 118.70 123.38 1hdn s GLU 32 Ca 0.65 -2.41 -0.26 0.00 0.36 0.00 0.00 54.97 53.32 1hdn s GLU 32 Cb -0.62 -4.92 -0.09 0.00 0.26 0.00 0.00 34.13 28.76 1hdn s GLU 32 CO 0.53 -1.68 2.19 0.96 -0.54 0.00 0.00 175.26 176.72 1hdn s ILE 33 N 1.48 3.20 -0.39 -3.70 -0.00 -1.26 -2.41 121.20 118.13 1hdn s ILE 33 Ca 0.37 -0.12 -0.25 0.00 -0.00 0.00 0.00 60.65 60.65 1hdn s ILE 33 Cb -0.05 -3.46 0.02 0.00 -0.00 0.00 0.00 42.46 38.96 1hdn s ILE 33 CO -0.04 -0.44 0.87 -0.89 -0.00 0.00 0.00 174.94 174.44 1hdn s THR 34 N 12.28 4.61 -0.72 8.37 2.01 0.03 -1.69 115.64 140.53 1hdn s THR 34 Ca 0.83 0.98 -0.16 0.00 0.31 0.00 0.00 61.69 63.64 1hdn s THR 34 Cb -0.11 -4.31 0.17 0.00 0.01 0.00 0.00 72.50 68.25 1hdn s THR 34 CO 0.08 -0.57 0.72 -0.69 -0.69 0.00 0.00 174.62 173.47 1hdn s VAL 35 N 3.40 5.29 -0.28 3.82 1.01 -0.09 -0.37 120.40 133.18 1hdn s VAL 35 Ca 0.35 -1.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.24 1hdn s VAL 35 Cb -0.12 -4.47 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 1hdn s VAL 35 CO 0.20 -1.05 0.68 -0.89 0.00 0.00 0.00 175.10 174.04 1hdn s THR 36 N 1.20 4.91 -0.90 3.92 2.01 -0.15 -3.30 115.64 123.33 1hdn s THR 36 Ca 0.14 1.08 -0.19 0.00 0.31 0.00 0.00 61.69 63.04 1hdn s THR 36 Cb -0.17 -4.02 0.13 0.00 0.01 0.00 0.00 72.50 68.45 1hdn s THR 36 CO -0.03 -0.10 1.08 -0.55 -0.69 0.00 0.00 174.62 174.33 1hdn s SER 37 N 1.55 6.59 -0.59 3.53 0.15 0.07 -1.58 113.70 123.42 1hdn s SER 37 Ca 0.28 -1.99 -0.06 0.00 0.70 0.00 0.00 55.95 54.88 1hdn s SER 37 Cb -0.15 -2.39 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1hdn s SER 37 CO 0.10 -1.06 0.40 -0.46 1.20 0.00 0.00 173.24 173.42 1hdn n ASN 38 N 6.47 -2.95 0.00 5.45 0.23 -0.02 -1.11 115.26 123.34 1hdn n ASN 38 Ca 0.21 -0.69 0.00 0.00 -0.53 0.00 0.00 54.58 53.57 1hdn n ASN 38 Cb 0.49 -1.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.17 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 -1.35 2.95 3.56 4.83 0.00 -1.26 -5.00 105.19 108.91 1hdn n GLY 39 Ca -0.18 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 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 2.44 -0.35 1.61 1.02 -0.26 -4.92 119.74 119.28 1hdn s LYS 40 Ca 0.00 0.17 -0.28 0.00 0.02 0.00 0.00 55.97 55.88 1hdn s LYS 40 Cb 0.00 -4.80 -0.07 0.00 -0.52 0.00 0.00 37.83 32.44 1hdn s LYS 40 CO 0.00 -3.29 2.30 0.43 -0.92 0.00 0.00 175.35 173.87 1hdn n SER 41 N 14.23 2.74 -3.93 2.83 7.64 -1.26 -0.75 113.62 135.12 1hdn n SER 41 Ca 0.35 -0.02 -0.30 0.00 1.01 0.00 0.00 58.87 59.90 1hdn n SER 41 Cb 0.49 -1.52 -0.15 0.00 -1.01 0.00 0.00 64.21 62.02 1hdn n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hdn s ALA 42 N 9.58 2.69 -0.55 -0.43 0.00 -1.21 -4.99 121.76 126.85 1hdn s ALA 42 Ca 1.02 -2.54 -0.34 0.00 0.00 0.00 0.00 51.96 50.09 1hdn s ALA 42 Cb -0.36 -1.94 -0.15 0.00 0.00 0.00 0.00 23.12 20.67 1hdn s ALA 42 CO 0.34 -1.78 2.34 0.45 0.00 0.00 0.00 175.76 177.11 1hdn n SER 43 N 4.07 1.46 0.00 0.00 2.88 -1.26 -0.92 113.62 119.85 1hdn n SER 43 Ca 0.04 0.27 0.11 0.00 -1.33 0.00 0.00 58.87 57.95 1hdn n SER 43 Cb 0.39 -1.16 0.57 0.00 -0.75 0.00 0.00 64.21 63.27 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 10.49 2.17 0.51 -1.46 0.00 -0.68 -1.15 120.51 130.39 1hdn n ALA 44 Ca 0.49 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.95 1hdn n ALA 44 Cb 0.18 -1.36 0.38 0.00 0.00 0.00 0.00 19.45 18.65 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 0.00 0.00 -4.43 0.00 1.57 -1.89 -3.39 116.57 108.44 1hdn h LYS 45 Ca 0.00 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.06 1hdn h LYS 45 Cb 0.17 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.23 1hdn h LYS 45 CO 0.00 0.00 -0.42 0.45 -0.57 0.00 0.00 179.45 178.91 1hdn s SER 46 N -4.87 5.87 0.33 0.86 0.15 -0.30 -4.85 113.70 110.89 1hdn s SER 46 Ca 0.09 -1.31 0.12 0.00 0.70 0.00 0.00 55.95 55.55 1hdn s SER 46 Cb 0.10 -2.07 1.00 0.00 -1.71 0.00 0.00 66.02 63.34 1hdn s SER 46 CO 0.59 -0.54 1.68 0.25 1.20 0.00 0.00 173.24 176.42 1hdn h LEU 47 N 8.55 0.55 0.67 3.45 6.46 -1.82 -1.20 115.31 131.96 1hdn h LEU 47 Ca -0.26 0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 1hdn h LEU 47 Cb 1.10 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 1hdn h LEU 47 CO 0.78 -0.06 -0.35 0.15 -0.62 0.00 0.00 178.44 178.35 1hdn h PHE 48 N 0.41 -0.91 -0.91 1.25 3.04 -1.92 -0.83 116.94 117.06 1hdn h PHE 48 Ca 0.70 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.69 1hdn h PHE 48 Cb 1.50 0.31 -0.06 0.00 2.56 0.00 0.00 35.95 40.25 1hdn h PHE 48 CO -0.02 -0.55 0.57 0.87 -2.02 0.00 0.00 178.31 177.17 1hdn h LYS 49 N -0.93 1.02 0.01 1.11 1.57 -1.67 0.37 116.57 118.05 1hdn h LYS 49 Ca -0.09 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.38 1hdn h LYS 49 Cb 0.72 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.81 1hdn h LYS 49 CO 0.14 0.68 -1.01 1.25 -0.57 0.00 0.00 179.45 179.93 1hdn h LEU 50 N 1.06 0.70 0.00 2.94 5.85 -1.26 -1.80 115.31 122.80 1hdn h LEU 50 Ca 0.39 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1hdn h LEU 50 Cb 0.15 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1hdn h LEU 50 CO -0.17 1.37 -0.03 1.56 -0.34 0.00 0.00 178.44 180.83 1hdn h GLN 51 N 0.29 0.00 0.00 1.25 4.20 -0.69 -3.11 115.11 117.05 1hdn h GLN 51 Ca -0.11 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.45 1hdn h GLN 51 Cb 1.66 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.41 1hdn h GLN 51 CO 0.19 0.00 -1.17 0.00 -0.67 0.00 0.00 178.83 177.18 1hdn h THR 52 N 0.00 0.64 -3.38 -0.54 1.03 -0.97 -3.46 112.91 106.23 1hdn h THR 52 Ca 0.00 -2.11 -0.58 0.00 -0.01 0.00 0.00 66.41 63.71 1hdn h THR 52 Cb 0.80 2.17 -0.08 0.00 -1.07 0.00 0.00 68.15 69.96 1hdn h THR 52 CO 0.00 0.37 -0.03 -0.76 -0.01 0.00 0.00 175.52 175.09 1hdn s LEU 53 N -5.99 4.22 -0.65 0.00 2.01 -0.68 -5.04 118.68 112.55 1hdn s LEU 53 Ca -0.01 0.84 -0.27 0.00 0.01 0.00 0.00 54.13 54.70 1hdn s LEU 53 Cb 0.08 -2.79 0.03 0.00 0.01 0.00 0.00 46.19 43.52 1hdn s LEU 53 CO 0.79 -0.12 1.20 -0.83 1.01 0.00 0.00 176.35 178.41 1hdn s GLY 54 N 0.89 1.06 -1.49 -3.19 0.00 -1.26 -4.83 107.32 98.49 1hdn s GLY 54 Ca 0.28 -1.11 -0.12 0.00 0.00 0.00 0.00 44.72 43.76 1hdn s GLY 54 CO 0.11 2.52 2.41 1.04 0.00 0.00 0.00 173.10 179.18 1hdn n LEU 55 N 8.74 7.40 -4.32 0.66 4.32 -1.26 -4.92 117.00 127.62 1hdn n LEU 55 Ca 0.05 -4.25 -0.20 0.00 -0.02 0.00 0.00 56.01 51.60 1hdn n LEU 55 Cb 0.49 -1.62 -0.11 0.00 -1.62 0.00 0.00 43.42 40.57 1hdn n LEU 55 CO 0.71 1.41 -0.46 0.28 -1.22 0.00 0.00 177.39 178.11 1hdn s THR 56 N 2.65 1.68 0.00 -5.08 -1.32 -1.26 -0.56 115.64 111.75 1hdn s THR 56 Ca 0.53 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 1hdn s THR 56 Cb 0.15 -1.85 0.00 0.00 -1.51 0.00 0.00 72.50 69.29 1hdn s THR 56 CO -0.08 -0.45 0.00 1.67 -2.21 0.00 0.00 174.62 173.56 1hdn n GLN 57 N 0.09 0.00 -0.09 7.08 7.27 -1.22 -2.29 117.38 128.21 1hdn n GLN 57 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.95 1hdn n GLN 57 Cb 0.58 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.23 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 0.00 0.95 3.58 1.69 0.00 -0.05 -4.99 105.19 106.36 1hdn n GLY 58 Ca 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 4.80 -0.45 2.61 -4.23 -0.97 -4.98 115.64 110.42 1hdn s THR 59 Ca 0.00 -0.02 -0.26 0.00 -1.18 0.00 0.00 61.69 60.24 1hdn s THR 59 Cb 0.00 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.65 1hdn s THR 59 CO 0.00 0.38 0.93 -0.69 -0.54 0.00 0.00 174.62 174.70 1hdn s VAL 60 N 1.04 4.48 -0.51 2.29 1.01 -1.26 -1.02 120.40 126.42 1hdn s VAL 60 Ca 0.05 0.84 -0.14 0.00 0.00 0.00 0.00 61.98 62.73 1hdn s VAL 60 Cb -0.14 -4.43 0.12 0.00 0.00 0.00 0.00 36.38 31.94 1hdn s VAL 60 CO 0.03 -0.79 0.44 0.68 0.00 0.00 0.00 175.10 175.47 1hdn s VAL 61 N 3.74 4.92 -0.58 2.92 -7.23 0.76 -0.84 120.40 124.09 1hdn s VAL 61 Ca 0.38 -1.54 -0.28 0.00 -1.81 0.00 0.00 61.98 58.73 1hdn s VAL 61 Cb -0.10 -4.15 0.02 0.00 0.56 0.00 0.00 36.38 32.70 1hdn s VAL 61 CO 0.25 -0.81 1.38 0.42 -0.31 0.00 0.00 175.10 176.03 1hdn s THR 62 N 1.53 3.81 -0.85 5.32 -4.23 -0.61 -2.08 115.64 118.52 1hdn s THR 62 Ca 0.04 0.67 -0.22 0.00 -1.18 0.00 0.00 61.69 61.00 1hdn s THR 62 Cb -0.28 -4.51 0.08 0.00 1.34 0.00 0.00 72.50 69.13 1hdn s THR 62 CO 0.02 -1.24 1.19 -0.63 -0.54 0.00 0.00 174.62 173.42 1hdn s ILE 63 N 5.93 4.25 -0.56 2.99 1.01 -0.61 -0.98 121.20 133.24 1hdn s ILE 63 Ca 0.50 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 60.22 1hdn s ILE 63 Cb -0.10 -4.85 0.08 0.00 0.01 0.00 0.00 42.46 37.60 1hdn s ILE 63 CO 0.24 -1.66 0.68 -0.55 0.00 0.00 0.00 174.94 173.65 1hdn s SER 64 N 4.02 6.20 -0.55 3.58 0.15 0.51 -2.45 113.70 125.15 1hdn s SER 64 Ca 0.34 -1.21 -0.16 0.00 0.70 0.00 0.00 55.95 55.62 1hdn s SER 64 Cb -0.07 -2.30 0.13 0.00 -1.71 0.00 0.00 66.02 62.06 1hdn s SER 64 CO -0.01 -1.04 0.53 0.00 1.20 0.00 0.00 173.24 173.92 1hdn s ALA 65 N 2.72 3.62 -0.55 5.45 0.00 0.49 -0.79 121.76 132.69 1hdn s ALA 65 Ca 0.13 -2.50 -0.18 0.00 0.00 0.00 0.00 51.96 49.42 1hdn s ALA 65 Cb -0.22 -3.31 0.10 0.00 0.00 0.00 0.00 23.12 19.70 1hdn s ALA 65 CO 0.09 -2.07 0.59 -1.83 0.00 0.00 0.00 175.76 172.54 1hdn s GLU 66 N 1.75 3.03 0.00 0.00 -1.05 -1.01 -1.99 118.70 119.43 1hdn s GLU 66 Ca 0.04 -1.40 0.00 0.00 -0.15 0.00 0.00 54.97 53.46 1hdn s GLU 66 Cb -0.29 -4.24 0.00 0.00 -0.44 0.00 0.00 34.13 29.16 1hdn s GLU 66 CO 0.03 -1.37 0.00 0.41 0.95 0.00 0.00 175.26 175.28 1hdn n GLY 67 N 5.25 -0.89 0.09 -3.83 0.00 -1.26 -0.19 105.19 104.37 1hdn n GLY 67 Ca -0.11 -1.18 -0.17 0.00 0.00 0.00 0.00 46.02 44.55 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 0.06 0.10 -1.97 1.61 5.08 -1.92 -3.34 114.58 114.20 1hdn h GLU 68 Ca 0.00 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1hdn h GLU 68 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1hdn h GLU 68 CO 0.00 1.08 0.01 -0.40 -1.00 0.00 0.00 179.01 178.71 1hdn n ASP 69 N -4.38 5.43 0.00 1.42 5.68 -1.26 -4.73 116.55 118.70 1hdn n ASP 69 Ca -0.16 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 1hdn n ASP 69 Cb 0.64 -1.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 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 1.47 0.00 -0.19 0.11 0.28 -1.25 -1.46 120.64 119.59 1hdn n GLU 70 Ca 0.04 0.64 0.08 0.00 -0.16 0.00 0.00 57.16 57.77 1hdn n GLU 70 Cb 0.53 -1.34 0.38 0.00 1.43 0.00 0.00 31.44 32.44 1hdn n GLU 70 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1hdn h GLN 71 N 0.00 0.68 -0.09 3.44 -0.00 -1.91 -2.98 115.11 114.24 1hdn h GLN 71 Ca 0.00 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.65 58.53 1hdn h GLN 71 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 27.48 27.33 1hdn h GLN 71 CO 0.00 0.45 -0.24 0.87 -0.00 0.00 0.00 178.83 179.91 1hdn h LYS 72 N 0.70 0.32 -0.31 0.06 1.57 -1.80 0.14 116.57 117.25 1hdn h LYS 72 Ca 0.34 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1hdn h LYS 72 Cb 0.40 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1hdn h LYS 72 CO -0.12 0.83 0.19 0.00 -0.57 0.00 0.00 179.45 179.79 1hdn h ALA 73 N 0.49 0.39 0.35 3.86 0.00 -1.22 -2.01 119.26 121.12 1hdn h ALA 73 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1hdn h ALA 73 Cb 0.84 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1hdn h ALA 73 CO 0.05 -0.16 -0.23 0.28 0.00 0.00 0.00 179.25 179.19 1hdn h VAL 74 N 0.40 0.53 -0.27 0.00 2.07 -1.34 -0.01 116.25 117.63 1hdn h VAL 74 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1hdn h VAL 74 Cb -0.03 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1hdn h VAL 74 CO -0.04 0.00 -0.15 -0.08 0.02 0.00 0.00 177.57 177.32 1hdn h GLU 75 N -0.56 -0.12 -0.69 1.57 4.81 -0.70 0.21 114.58 119.11 1hdn h GLU 75 Ca -0.03 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1hdn h GLU 75 Cb 0.47 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1hdn h GLU 75 CO 0.03 -0.08 0.25 1.25 -0.73 0.00 0.00 179.01 179.73 1hdn h HIS 76 N -0.12 1.08 -0.06 0.92 2.76 -1.18 -1.11 115.15 117.43 1hdn h HIS 76 Ca 0.14 -0.09 -0.11 0.00 -2.20 0.00 0.00 60.37 58.11 1hdn h HIS 76 Cb 0.34 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1hdn h HIS 76 CO -0.33 0.85 -0.47 -0.07 -1.30 0.00 0.00 177.93 176.61 1hdn h LEU 77 N 1.00 0.16 -0.24 0.26 3.38 -0.26 -0.89 115.31 118.71 1hdn h LEU 77 Ca 0.23 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1hdn h LEU 77 Cb 0.25 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1hdn h LEU 77 CO -0.01 0.61 -0.10 0.58 0.09 0.00 0.00 178.44 179.61 1hdn h VAL 78 N 0.12 1.30 -0.68 1.22 2.07 -0.33 -0.21 116.25 119.74 1hdn h VAL 78 Ca 0.01 -1.15 0.14 0.00 0.82 0.00 0.00 66.70 66.51 1hdn h VAL 78 Cb 0.87 1.55 -0.10 0.00 -1.52 0.00 0.00 31.29 32.10 1hdn h VAL 78 CO 0.07 0.36 0.16 0.50 0.02 0.00 0.00 177.57 178.67 1hdn h LYS 79 N 0.21 0.27 0.03 1.57 3.64 -1.14 -2.07 116.57 119.07 1hdn h LYS 79 Ca 0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1hdn h LYS 79 Cb 0.59 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1hdn h LYS 79 CO 0.03 0.18 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.30 1hdn h LEU 80 N 0.28 -0.04 -0.79 5.20 3.38 -0.94 -2.90 115.31 119.49 1hdn h LEU 80 Ca 0.37 -0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.49 1hdn h LEU 80 Cb 0.60 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.21 1hdn h LEU 80 CO -0.46 0.00 -0.09 0.24 0.09 0.00 0.00 178.44 178.22 1hdn h MET 81 N -0.08 0.04 -0.20 1.13 2.86 -0.67 -2.20 114.93 115.82 1hdn h MET 81 Ca -0.00 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1hdn h MET 81 Cb 0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1hdn h MET 81 CO 0.01 0.03 -0.09 0.00 1.06 0.00 0.00 176.91 177.92 1hdn h ALA 82 N 1.78 1.49 -0.79 6.32 0.00 -1.18 -2.02 119.26 124.84 1hdn h ALA 82 Ca 0.41 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.85 1hdn h ALA 82 Cb 0.70 -0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.22 1hdn h ALA 82 CO -0.76 0.36 0.35 -0.85 0.00 0.00 0.00 179.25 178.35 1hdn n GLU 83 N -4.29 3.40 -2.32 0.00 0.28 -0.84 -4.09 120.64 112.79 1hdn n GLU 83 Ca -0.00 -3.08 -0.00 0.00 -0.16 0.00 0.00 57.16 53.91 1hdn n GLU 83 Cb 0.25 -2.21 0.04 0.00 1.43 0.00 0.00 31.44 30.96 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 -0.38 1.66 -0.60 -1.84 4.77 -0.76 -5.08 117.00 114.76 1hdn n LEU 84 Ca 0.45 -2.86 0.08 0.00 -0.03 0.00 0.00 56.01 53.64 1hdn n LEU 84 Cb 1.45 0.25 0.06 0.00 -2.33 0.00 0.00 43.42 42.86 1hdn n LEU 84 CO 0.47 0.96 0.49 1.21 -1.33 0.00 0.00 177.39 179.19