#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 -0.05 -0.02 1.12 5.36 -0.70 -5.02 117.98 118.67 1hdn s PHE 2 Ca 0.00 0.21 0.07 0.00 -0.96 0.00 0.00 56.93 56.24 1hdn s PHE 2 Cb 0.00 -0.10 -0.02 0.00 -0.34 0.00 0.00 43.02 42.56 1hdn s PHE 2 CO 0.00 -0.08 -0.22 1.14 -1.46 0.00 0.00 175.22 174.60 1hdn s GLN 3 N 0.67 1.80 -0.00 10.12 -2.07 -1.26 -0.73 119.66 128.19 1hdn s GLN 3 Ca -0.05 -0.79 0.01 0.00 -1.82 0.00 0.00 55.36 52.70 1hdn s GLN 3 Cb -0.08 -1.74 -0.00 0.00 -1.09 0.00 0.00 33.01 30.11 1hdn s GLN 3 CO -0.02 0.47 -0.02 -1.14 -1.32 0.00 0.00 175.29 173.26 1hdn s GLN 4 N -0.51 0.14 -0.33 9.60 -0.44 -0.40 -4.99 119.66 122.73 1hdn s GLN 4 Ca 0.08 -0.08 -0.12 0.00 -2.50 0.00 0.00 55.36 52.75 1hdn s GLN 4 Cb -0.09 -0.13 -0.02 0.00 -1.64 0.00 0.00 33.01 31.14 1hdn s GLN 4 CO -0.01 0.03 0.22 -1.21 0.50 0.00 0.00 175.29 174.83 1hdn s GLU 5 N -0.08 3.54 -0.05 1.67 2.02 -1.26 -0.53 118.70 124.01 1hdn s GLU 5 Ca 0.00 -0.60 0.05 0.00 0.02 0.00 0.00 54.97 54.44 1hdn s GLU 5 Cb -0.01 -3.75 -0.01 0.00 0.10 0.00 0.00 34.13 30.46 1hdn s GLU 5 CO -0.00 -0.40 -0.22 0.54 0.02 0.00 0.00 175.26 175.20 1hdn s VAL 6 N 1.71 1.78 0.52 2.63 0.11 -0.09 -4.96 120.40 122.10 1hdn s VAL 6 Ca 0.06 -0.92 -0.05 0.00 -2.93 0.00 0.00 61.98 58.15 1hdn s VAL 6 Cb -0.17 -1.51 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 1hdn s VAL 6 CO 0.10 0.50 0.81 0.42 -3.33 0.00 0.00 175.10 173.60 1hdn s THR 7 N -0.12 4.28 -0.10 5.04 -4.23 -1.26 -0.59 115.64 118.67 1hdn s THR 7 Ca -0.03 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1hdn s THR 7 Cb -0.12 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 1hdn s THR 7 CO 0.03 -0.62 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.69 1hdn s ILE 8 N -2.80 2.76 -0.17 2.99 -1.09 -1.26 -4.96 121.20 116.66 1hdn s ILE 8 Ca 0.50 -0.78 0.16 0.00 -2.23 0.00 0.00 60.65 58.29 1hdn s ILE 8 Cb -0.10 -2.11 -0.22 0.00 -1.58 0.00 0.00 42.46 38.45 1hdn s ILE 8 CO 0.44 0.55 0.06 0.35 -1.23 0.00 0.00 174.94 175.11 1hdn n THR 9 N 3.24 1.19 -1.48 2.92 -2.24 -1.26 -3.74 114.28 112.91 1hdn n THR 9 Ca -0.18 -0.74 -0.56 0.00 -2.27 0.00 0.00 64.05 60.31 1hdn n THR 9 Cb 0.53 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.16 1hdn n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hdn n ALA 10 N -2.64 -3.27 -0.19 6.98 0.00 -1.26 -4.93 120.51 115.20 1hdn n ALA 10 Ca -0.28 0.55 -0.01 0.00 0.00 0.00 0.00 53.44 53.69 1hdn n ALA 10 Cb 1.06 -1.74 0.09 0.00 0.00 0.00 0.00 19.45 18.86 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 2.52 0.40 0.20 0.00 0.11 -1.99 -3.20 132.00 130.04 1hdn h PRO 11 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1hdn h PRO 11 Cb 1.43 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1hdn h PRO 11 CO 0.63 0.26 -0.10 -2.95 -0.21 0.00 0.00 178.00 175.64 1hdn h ASN 12 N 0.41 -0.23 0.00 -2.05 -1.07 -1.98 -3.47 115.58 107.19 1hdn h ASN 12 Ca 0.28 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.66 1hdn h ASN 12 Cb 0.31 0.06 0.00 0.00 -2.07 0.00 0.00 38.32 36.62 1hdn h ASN 12 CO -0.27 0.02 0.00 0.61 0.07 0.00 0.00 177.43 177.86 1hdn n GLY 13 N 0.74 0.89 2.36 9.14 0.00 -1.21 -4.56 105.19 112.55 1hdn n GLY 13 Ca -0.03 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.81 -4.55 0.99 7.94 -1.22 -4.68 117.00 113.67 1hdn n LEU 14 Ca 0.00 0.06 -0.28 0.00 -1.11 0.00 0.00 56.01 54.67 1hdn n LEU 14 Cb 0.00 -0.97 0.23 0.00 0.53 0.00 0.00 43.42 43.21 1hdn n LEU 14 CO 0.00 -0.39 0.56 -1.38 -1.11 0.00 0.00 177.39 175.07 1hdn s HIS 15 N -0.76 1.59 0.22 1.96 -3.43 -1.26 -4.67 115.29 108.94 1hdn s HIS 15 Ca 0.13 1.09 0.32 0.00 -0.80 0.00 0.00 55.06 55.80 1hdn s HIS 15 Cb -0.01 -3.15 1.76 0.00 -1.43 0.00 0.00 32.58 29.74 1hdn s HIS 15 CO 0.29 -3.59 1.99 1.79 -2.00 0.00 0.00 174.74 173.22 1hdn h THR 16 N -2.42 0.00 0.07 -5.38 1.35 -1.98 -1.90 112.91 102.65 1hdn h THR 16 Ca -0.60 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.17 1hdn h THR 16 Cb 1.34 0.72 0.01 0.00 -1.73 0.00 0.00 68.15 68.48 1hdn h THR 16 CO 0.53 0.00 -0.43 0.03 -0.25 0.00 0.00 175.52 175.41 1hdn h ARG 17 N 0.00 0.14 -0.74 4.72 3.08 -1.99 -0.03 114.38 119.57 1hdn h ARG 17 Ca 0.00 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.82 1hdn h ARG 17 Cb 0.03 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1hdn h ARG 17 CO 0.00 1.12 0.49 -1.00 -1.07 0.00 0.00 179.97 179.51 1hdn h PRO 18 N -0.70 0.94 -0.55 0.04 0.13 -1.88 -1.25 132.00 128.75 1hdn h PRO 18 Ca -0.08 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1hdn h PRO 18 Cb 1.32 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 1hdn h PRO 18 CO 0.07 0.62 0.32 0.00 -0.23 0.00 0.00 178.00 178.78 1hdn h ALA 19 N 1.55 0.70 -0.92 -0.56 0.00 -1.38 0.19 119.26 118.84 1hdn h ALA 19 Ca 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1hdn h ALA 19 Cb -0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1hdn h ALA 19 CO -0.07 0.02 0.52 0.00 0.00 0.00 0.00 179.25 179.73 1hdn h ALA 20 N 1.25 1.17 -0.15 0.00 0.00 -0.67 -2.87 119.26 118.00 1hdn h ALA 20 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1hdn h ALA 20 Cb 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1hdn h ALA 20 CO -0.11 0.66 0.05 1.96 0.00 0.00 0.00 179.25 181.82 1hdn h GLN 21 N 1.28 0.23 -0.51 0.00 4.20 -0.68 -3.24 115.11 116.38 1hdn h GLN 21 Ca 0.33 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 59.07 1hdn h GLN 21 Cb -0.01 -0.04 -0.10 0.00 0.30 0.00 0.00 27.48 27.64 1hdn h GLN 21 CO -0.06 0.33 -0.42 0.74 -0.67 0.00 0.00 178.83 178.76 1hdn h PHE 22 N 0.08 -1.21 -0.69 2.96 -1.00 -0.51 -1.47 116.94 115.09 1hdn h PHE 22 Ca 0.05 0.08 0.06 0.00 2.81 0.00 0.00 57.97 60.96 1hdn h PHE 22 Cb 0.19 0.60 -0.05 0.00 3.61 0.00 0.00 35.95 40.30 1hdn h PHE 22 CO -0.01 -0.42 0.40 0.28 -1.61 0.00 0.00 178.31 176.95 1hdn h VAL 23 N -0.25 0.99 0.01 -0.55 2.07 -1.62 -0.87 116.25 116.03 1hdn h VAL 23 Ca 0.17 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1hdn h VAL 23 Cb 0.57 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1hdn h VAL 23 CO -0.64 0.13 -0.00 0.11 0.02 0.00 0.00 177.57 177.19 1hdn h LYS 24 N 0.74 -0.01 -0.13 1.57 1.57 -1.31 0.67 116.57 119.67 1hdn h LYS 24 Ca 0.31 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1hdn h LYS 24 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1hdn h LYS 24 CO -0.17 0.21 0.07 1.49 -0.57 0.00 0.00 179.45 180.47 1hdn h GLU 25 N -0.23 0.14 -0.95 3.15 4.57 -1.21 -1.63 114.58 118.41 1hdn h GLU 25 Ca -0.00 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1hdn h GLU 25 Cb 0.23 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 1hdn h GLU 25 CO 0.00 0.09 0.63 0.00 -1.18 0.00 0.00 179.01 178.55 1hdn h ALA 26 N 1.06 1.39 -0.52 2.92 0.00 -1.09 -1.42 119.26 121.60 1hdn h ALA 26 Ca 0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1hdn h ALA 26 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1hdn h ALA 26 CO -0.03 0.52 -0.01 0.87 0.00 0.00 0.00 179.25 180.60 1hdn h LYS 27 N 1.20 0.89 0.29 0.00 1.57 -0.41 -3.31 116.57 116.80 1hdn h LYS 27 Ca 0.38 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1hdn h LYS 27 Cb 0.02 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1hdn h LYS 27 CO -0.12 0.89 -0.14 0.78 -0.57 0.00 0.00 179.45 180.29 1hdn h GLY 28 N 0.99 -0.41 -4.60 3.86 0.00 -0.34 -3.44 103.07 99.14 1hdn h GLY 28 Ca 0.15 0.15 -0.60 0.00 0.00 0.00 0.00 47.33 47.03 1hdn h GLY 28 CO 0.02 -0.15 0.39 0.69 0.00 0.00 0.00 176.54 177.50 1hdn n PHE 29 N -5.17 1.77 0.04 5.60 3.72 -0.67 -4.93 117.46 117.82 1hdn n PHE 29 Ca -0.10 0.58 -0.13 0.00 -0.05 0.00 0.00 57.45 57.76 1hdn n PHE 29 Cb 0.23 -2.36 -0.01 0.00 -0.94 0.00 0.00 39.48 36.40 1hdn n PHE 29 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1hdn h THR 30 N 2.60 1.36 -2.43 4.37 1.35 -1.85 -3.46 112.91 114.84 1hdn h THR 30 Ca -0.43 -2.18 -0.60 0.00 -0.55 0.00 0.00 66.41 62.65 1hdn h THR 30 Cb 1.31 2.16 0.15 0.00 -1.73 0.00 0.00 68.15 70.05 1hdn h THR 30 CO 0.68 0.66 -0.46 -1.20 -0.25 0.00 0.00 175.52 174.95 1hdn n SER 31 N -3.84 -1.15 -4.74 5.36 7.64 -1.26 -4.98 113.62 110.65 1hdn n SER 31 Ca -0.06 0.85 -0.40 0.00 1.01 0.00 0.00 58.87 60.28 1hdn n SER 31 Cb 0.75 -1.10 -0.05 0.00 -1.01 0.00 0.00 64.21 62.80 1hdn n SER 31 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1hdn s GLU 32 N -1.62 4.44 -0.42 1.43 2.56 0.18 -4.90 118.70 120.37 1hdn s GLU 32 Ca 0.64 0.95 0.01 0.00 0.00 0.00 0.00 54.97 56.57 1hdn s GLU 32 Cb -0.56 -3.38 0.11 0.00 2.00 0.00 0.00 34.13 32.30 1hdn s GLU 32 CO 0.58 0.26 0.17 0.42 -0.56 0.00 0.00 175.26 176.13 1hdn s ILE 33 N 0.09 2.80 -0.30 -3.70 -1.09 -1.26 -1.72 121.20 116.02 1hdn s ILE 33 Ca 0.37 -2.47 -0.16 0.00 -2.23 0.00 0.00 60.65 56.15 1hdn s ILE 33 Cb -0.19 -2.96 -0.02 0.00 -1.58 0.00 0.00 42.46 37.70 1hdn s ILE 33 CO 0.21 -0.69 0.43 -0.89 -1.23 0.00 0.00 174.94 172.77 1hdn s THR 34 N 0.69 5.11 -0.36 2.92 2.01 0.13 -1.13 115.64 125.01 1hdn s THR 34 Ca 0.12 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1hdn s THR 34 Cb -0.21 -3.81 0.10 0.00 0.01 0.00 0.00 72.50 68.58 1hdn s THR 34 CO -0.05 0.01 0.10 -0.69 -0.69 0.00 0.00 174.62 173.30 1hdn s VAL 35 N 2.19 2.73 -0.40 3.82 1.01 0.70 -0.57 120.40 129.88 1hdn s VAL 35 Ca 0.17 -2.15 -0.05 0.00 0.00 0.00 0.00 61.98 59.95 1hdn s VAL 35 Cb -0.16 -2.91 0.10 0.00 0.00 0.00 0.00 36.38 33.41 1hdn s VAL 35 CO 0.11 -0.59 0.20 -0.89 0.00 0.00 0.00 175.10 173.93 1hdn s THR 36 N 1.03 3.55 -0.93 3.92 2.01 -0.14 -2.39 115.64 122.69 1hdn s THR 36 Ca 0.08 -1.79 -0.24 0.00 0.31 0.00 0.00 61.69 60.05 1hdn s THR 36 Cb -0.21 -3.31 0.02 0.00 0.01 0.00 0.00 72.50 69.01 1hdn s THR 36 CO -0.06 -0.58 1.59 -0.44 -0.69 0.00 0.00 174.62 174.45 1hdn s SER 37 N 1.90 6.01 0.00 3.53 0.01 -1.21 -0.85 113.70 123.09 1hdn s SER 37 Ca 0.05 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1hdn s SER 37 Cb -0.23 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1hdn s SER 37 CO -0.02 -1.95 0.00 -0.46 0.41 0.00 0.00 173.24 171.22 1hdn n ASN 38 N 10.60 -2.23 0.00 2.44 6.94 -0.96 -3.59 115.26 128.46 1hdn n ASN 38 Ca 0.31 0.60 0.00 0.00 -0.02 0.00 0.00 54.58 55.47 1hdn n ASN 38 Cb 0.50 -0.93 0.00 0.00 -2.36 0.00 0.00 39.78 36.99 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 1.87 0.93 3.61 4.83 0.00 -1.26 -4.90 105.19 110.27 1hdn n GLY 39 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1hdn n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hdn s LYS 40 N 0.00 4.04 -0.24 1.61 2.20 -1.24 -5.06 119.74 121.06 1hdn s LYS 40 Ca 0.00 0.14 -0.12 0.00 -0.36 0.00 0.00 55.97 55.62 1hdn s LYS 40 Cb 0.00 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 1hdn s LYS 40 CO 0.00 -0.30 0.24 -1.12 -0.36 0.00 0.00 175.35 173.81 1hdn s SER 41 N 1.60 6.19 0.36 1.43 0.01 -1.26 -3.28 113.70 118.76 1hdn s SER 41 Ca 0.17 0.21 0.08 0.00 1.31 0.00 0.00 55.95 57.72 1hdn s SER 41 Cb -0.16 -2.14 -0.06 0.00 0.21 0.00 0.00 66.02 63.87 1hdn s SER 41 CO 0.10 0.00 0.01 0.00 0.41 0.00 0.00 173.24 173.76 1hdn s ALA 42 N 1.26 3.20 -0.06 1.44 0.00 -1.01 -5.00 121.76 121.60 1hdn s ALA 42 Ca 0.11 -2.08 0.03 0.00 0.00 0.00 0.00 51.96 50.03 1hdn s ALA 42 Cb -0.14 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1hdn s ALA 42 CO 0.06 -0.00 -0.16 0.45 0.00 0.00 0.00 175.76 176.11 1hdn s SER 43 N -3.72 2.17 0.56 0.00 0.15 -1.23 -0.21 113.70 111.42 1hdn s SER 43 Ca 0.35 -0.37 0.34 0.00 0.70 0.00 0.00 55.95 56.98 1hdn s SER 43 Cb 0.03 -0.83 1.47 0.00 -1.71 0.00 0.00 66.02 64.98 1hdn s SER 43 CO 0.19 0.11 2.03 0.00 1.20 0.00 0.00 173.24 176.76 1hdn h ALA 44 N 6.61 1.01 0.00 5.45 0.00 -1.45 -2.00 119.26 128.88 1hdn h ALA 44 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1hdn h ALA 44 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1hdn h ALA 44 CO 0.48 0.02 0.00 1.63 0.00 0.00 0.00 179.25 181.38 1hdn n LYS 45 N -3.13 0.09 -4.10 0.00 5.02 -1.26 -4.17 118.16 110.61 1hdn n LYS 45 Ca 0.00 0.42 -0.16 0.00 -2.02 0.00 0.00 58.31 56.55 1hdn n LYS 45 Cb 0.28 -1.70 -0.15 0.00 -0.02 0.00 0.00 35.03 33.45 1hdn n LYS 45 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1hdn s SER 46 N -3.57 0.56 0.30 4.39 1.04 -1.22 -4.79 113.70 110.40 1hdn s SER 46 Ca 0.03 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.41 1hdn s SER 46 Cb 0.07 -0.13 0.59 0.00 0.10 0.00 0.00 66.02 66.65 1hdn s SER 46 CO 0.24 0.02 1.86 0.25 0.98 0.00 0.00 173.24 176.59 1hdn h LEU 47 N 6.35 0.88 -0.47 2.42 5.85 -1.84 -0.21 115.31 128.29 1hdn h LEU 47 Ca -0.31 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.52 1hdn h LEU 47 Cb 1.18 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.97 1hdn h LEU 47 CO 0.50 0.49 -0.42 0.15 -0.34 0.00 0.00 178.44 178.82 1hdn h PHE 48 N 0.96 -1.21 0.00 1.25 3.57 -1.94 0.07 116.94 119.64 1hdn h PHE 48 Ca 0.47 0.07 -0.18 0.00 3.53 0.00 0.00 57.97 61.86 1hdn h PHE 48 Cb 0.47 0.60 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1hdn h PHE 48 CO -0.00 -0.43 -0.84 -0.22 -2.23 0.00 0.00 178.31 174.59 1hdn h LYS 49 N -0.28 0.03 0.45 1.11 3.64 -1.56 -3.33 116.57 116.64 1hdn h LYS 49 Ca 0.16 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1hdn h LYS 49 Cb 0.57 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1hdn h LYS 49 CO -0.62 0.85 -0.22 1.25 -2.27 0.00 0.00 179.45 178.45 1hdn h LEU 50 N 0.02 -0.52 -2.64 5.20 5.85 -0.27 -3.25 115.31 119.70 1hdn h LEU 50 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1hdn h LEU 50 Cb 1.47 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 1hdn h LEU 50 CO 0.11 -0.37 0.00 1.56 -0.34 0.00 0.00 178.44 179.41 1hdn h GLN 51 N -0.60 0.00 0.00 1.25 4.20 -1.11 -1.47 115.11 117.37 1hdn h GLN 51 Ca -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1hdn h GLN 51 Cb 0.46 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1hdn h GLN 51 CO 0.10 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.23 1hdn h THR 52 N 0.00 0.67 -3.11 -0.54 1.03 -1.72 -3.18 112.91 106.06 1hdn h THR 52 Ca 0.00 -0.11 -0.62 0.00 -0.01 0.00 0.00 66.41 65.66 1hdn h THR 52 Cb 0.00 1.07 -0.41 0.00 -1.07 0.00 0.00 68.15 67.74 1hdn h THR 52 CO -0.00 0.03 -0.65 -0.76 -0.01 0.00 0.00 175.52 174.13 1hdn s LEU 53 N -7.98 4.02 0.17 0.00 1.43 -0.55 -5.11 118.68 110.64 1hdn s LEU 53 Ca -0.05 -3.30 -0.30 0.00 -1.03 0.00 0.00 54.13 49.45 1hdn s LEU 53 Cb 0.15 -1.44 -0.07 0.00 0.03 0.00 0.00 46.19 44.86 1hdn s LEU 53 CO 0.59 -0.17 1.06 -0.83 0.23 0.00 0.00 176.35 177.22 1hdn s GLY 54 N -0.64 2.91 -0.70 -3.19 0.00 -1.20 -4.69 107.32 99.81 1hdn s GLY 54 Ca 0.22 0.75 -0.27 0.00 0.00 0.00 0.00 44.72 45.41 1hdn s GLY 54 CO -0.08 1.58 1.31 1.08 0.00 0.00 0.00 173.10 176.98 1hdn s LEU 55 N -0.35 3.23 0.20 0.66 1.02 -1.26 -4.97 118.68 117.21 1hdn s LEU 55 Ca 0.48 -0.27 0.05 0.00 0.02 0.00 0.00 54.13 54.41 1hdn s LEU 55 Cb -0.28 -2.69 -0.05 0.00 0.02 0.00 0.00 46.19 43.20 1hdn s LEU 55 CO 0.34 -1.80 -0.08 0.28 0.02 0.00 0.00 176.35 175.11 1hdn s THR 56 N 5.81 1.30 0.52 5.49 -1.32 -1.26 -3.40 115.64 122.79 1hdn s THR 56 Ca 0.39 -2.09 -0.22 0.00 -1.21 0.00 0.00 61.69 58.56 1hdn s THR 56 Cb -0.08 -2.11 -0.06 0.00 -1.51 0.00 0.00 72.50 68.74 1hdn s THR 56 CO 0.18 -0.54 1.26 0.00 -2.21 0.00 0.00 174.62 173.31 1hdn n GLN 57 N -0.35 1.62 0.00 7.08 10.64 -1.26 -2.99 117.38 132.12 1hdn n GLN 57 Ca -0.08 0.59 0.00 0.00 -1.83 0.00 0.00 57.00 55.69 1hdn n GLN 57 Cb 0.62 -2.45 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 1hdn n GLN 57 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1hdn n GLY 58 N 0.87 1.81 3.62 2.61 0.00 -1.25 -4.95 105.19 107.90 1hdn n GLY 58 Ca 0.10 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1hdn n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hdn s THR 59 N 0.00 3.77 0.14 2.61 2.01 -1.16 -4.92 115.64 118.09 1hdn s THR 59 Ca 0.00 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 62.54 1hdn s THR 59 Cb 0.00 -3.86 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 1hdn s THR 59 CO 0.00 -0.42 1.27 0.54 -0.69 0.00 0.00 174.62 175.32 1hdn s VAL 60 N 5.36 3.53 -0.17 3.82 0.11 -1.26 -4.31 120.40 127.48 1hdn s VAL 60 Ca 0.68 1.18 -0.00 0.00 -2.93 0.00 0.00 61.98 60.92 1hdn s VAL 60 Cb -0.21 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1hdn s VAL 60 CO 0.29 0.14 -0.15 0.54 -3.33 0.00 0.00 175.10 172.59 1hdn s VAL 61 N 0.55 2.62 -0.22 2.04 0.11 0.25 -2.25 120.40 123.50 1hdn s VAL 61 Ca 0.58 -0.78 -0.29 0.00 -2.93 0.00 0.00 61.98 58.57 1hdn s VAL 61 Cb -0.34 -2.11 0.01 0.00 -1.53 0.00 0.00 36.38 32.41 1hdn s VAL 61 CO 0.34 0.51 1.04 -0.89 -3.33 0.00 0.00 175.10 172.76 1hdn s THR 62 N 0.97 4.69 -0.52 5.04 2.01 -0.03 -0.91 115.64 126.89 1hdn s THR 62 Ca -0.02 2.03 -0.14 0.00 0.31 0.00 0.00 61.69 63.86 1hdn s THR 62 Cb -0.15 -4.31 0.12 0.00 0.01 0.00 0.00 72.50 68.18 1hdn s THR 62 CO -0.03 -0.16 0.45 -0.63 -0.69 0.00 0.00 174.62 173.56 1hdn s ILE 63 N 3.09 4.92 -0.19 1.82 -1.09 0.31 -0.96 121.20 129.10 1hdn s ILE 63 Ca 0.45 -1.56 -0.04 0.00 -2.23 0.00 0.00 60.65 57.27 1hdn s ILE 63 Cb -0.15 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 1hdn s ILE 63 CO 0.07 -0.82 -0.04 -0.55 -1.23 0.00 0.00 174.94 172.37 1hdn s SER 64 N 3.27 4.59 -0.25 3.58 0.15 0.26 -1.28 113.70 124.02 1hdn s SER 64 Ca 0.04 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1hdn s SER 64 Cb -0.29 -1.77 0.05 0.00 -1.71 0.00 0.00 66.02 62.31 1hdn s SER 64 CO 0.02 0.08 -0.11 0.00 1.20 0.00 0.00 173.24 174.43 1hdn s ALA 65 N 0.89 2.57 -0.39 5.45 0.00 0.10 -0.69 121.76 129.68 1hdn s ALA 65 Ca -0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 51.96 50.25 1hdn s ALA 65 Cb -0.15 -1.57 0.09 0.00 0.00 0.00 0.00 23.12 21.49 1hdn s ALA 65 CO 0.01 -1.05 0.17 -1.83 0.00 0.00 0.00 175.76 173.07 1hdn s GLU 66 N 1.16 2.28 0.00 0.00 -1.05 -0.70 -1.73 118.70 118.67 1hdn s GLU 66 Ca -0.06 -1.58 0.00 0.00 -0.15 0.00 0.00 54.97 53.18 1hdn s GLU 66 Cb -0.19 -3.55 0.00 0.00 -0.44 0.00 0.00 34.13 29.95 1hdn s GLU 66 CO -0.06 -0.93 0.00 0.41 0.95 0.00 0.00 175.26 175.63 1hdn n GLY 67 N 4.70 0.09 0.06 -3.83 0.00 -1.26 -0.64 105.19 104.31 1hdn n GLY 67 Ca -0.07 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 0.05 -0.50 1.61 3.07 -1.94 -3.28 114.58 113.59 1hdn h GLU 68 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1hdn h GLU 68 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1hdn h GLU 68 CO 0.00 0.40 0.00 -0.25 -1.40 0.00 0.00 179.01 177.76 1hdn n ASP 69 N -4.88 0.49 -0.34 1.42 8.00 -1.26 -4.63 116.55 115.34 1hdn n ASP 69 Ca -0.08 -0.89 -0.05 0.00 0.71 0.00 0.00 54.79 54.48 1hdn n ASP 69 Cb 0.20 -0.22 -0.00 0.00 -0.02 0.00 0.00 41.12 41.08 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 0.58 -0.05 0.05 -1.24 4.11 -1.82 0.26 114.58 116.46 1hdn h GLU 70 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1hdn h GLU 70 Cb 0.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1hdn h GLU 70 CO 0.00 -0.04 -0.02 1.96 0.07 0.00 0.00 179.01 180.98 1hdn h GLN 71 N -0.06 -0.06 -0.40 1.06 4.20 -1.91 -3.31 115.11 114.63 1hdn h GLN 71 Ca 0.27 0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.06 1hdn h GLN 71 Cb 0.55 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.25 1hdn h GLN 71 CO -0.90 0.57 -0.32 -0.22 -0.67 0.00 0.00 178.83 177.29 1hdn h LYS 72 N -0.85 -0.24 0.02 1.46 3.64 -1.64 0.04 116.57 119.00 1hdn h LYS 72 Ca -0.01 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1hdn h LYS 72 Cb 0.66 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 1hdn h LYS 72 CO 0.01 -0.16 -0.13 0.00 -2.27 0.00 0.00 179.45 176.90 1hdn h ALA 73 N 0.78 -0.17 -0.05 5.00 0.00 -0.70 -0.26 119.26 123.86 1hdn h ALA 73 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1hdn h ALA 73 Cb 0.53 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1hdn h ALA 73 CO -0.54 -0.63 0.01 0.28 0.00 0.00 0.00 179.25 178.38 1hdn h VAL 74 N -0.23 1.20 -0.18 0.00 2.07 -1.47 0.14 116.25 117.77 1hdn h VAL 74 Ca 0.04 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 67.01 1hdn h VAL 74 Cb 0.28 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1hdn h VAL 74 CO -0.12 0.16 -0.16 -0.08 0.02 0.00 0.00 177.57 177.40 1hdn h GLU 75 N -0.14 -0.16 -0.43 1.57 4.81 -0.86 -0.28 114.58 119.09 1hdn h GLU 75 Ca 0.02 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1hdn h GLU 75 Cb 0.25 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1hdn h GLU 75 CO 0.00 -0.11 0.07 1.25 -0.73 0.00 0.00 179.01 179.49 1hdn h HIS 76 N -0.17 0.76 -0.41 0.92 2.76 -0.82 0.15 115.15 118.34 1hdn h HIS 76 Ca 0.11 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 1hdn h HIS 76 Cb 0.34 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 1hdn h HIS 76 CO -0.30 0.73 0.00 -0.07 -1.30 0.00 0.00 177.93 176.99 1hdn h LEU 77 N 0.58 0.61 -0.35 0.26 3.38 -0.60 0.28 115.31 119.47 1hdn h LEU 77 Ca 0.13 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1hdn h LEU 77 Cb 0.38 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1hdn h LEU 77 CO 0.01 0.68 -0.78 0.58 0.09 0.00 0.00 178.44 179.02 1hdn h VAL 78 N 0.61 1.39 -0.35 1.22 2.07 -0.75 -2.55 116.25 117.89 1hdn h VAL 78 Ca 0.13 -2.22 -0.09 0.00 0.82 0.00 0.00 66.70 65.33 1hdn h VAL 78 Cb 0.38 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1hdn h VAL 78 CO 0.01 0.67 -0.16 0.11 0.02 0.00 0.00 177.57 178.22 1hdn h LYS 79 N 0.26 0.64 -0.21 1.57 1.57 -0.25 0.09 116.57 120.25 1hdn h LYS 79 Ca -0.04 -0.22 0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1hdn h LYS 79 Cb 1.37 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.59 1hdn h LYS 79 CO 0.13 0.78 -0.07 1.25 -0.57 0.00 0.00 179.45 180.97 1hdn h LEU 80 N 0.58 -0.25 -0.63 2.94 6.46 -0.44 -2.45 115.31 121.52 1hdn h LEU 80 Ca 0.09 0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1hdn h LEU 80 Cb 0.61 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 1hdn h LEU 80 CO 0.04 -0.09 0.38 0.24 -0.62 0.00 0.00 178.44 178.38 1hdn h MET 81 N -0.03 0.71 -0.02 1.25 2.86 -1.26 0.26 114.93 118.70 1hdn h MET 81 Ca 0.11 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1hdn h MET 81 Cb 0.19 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1hdn h MET 81 CO -0.24 0.47 0.15 0.00 1.06 0.00 0.00 176.91 178.35 1hdn h ALA 82 N 1.29 1.21 0.00 6.32 0.00 -0.53 -2.90 119.26 124.65 1hdn h ALA 82 Ca 0.26 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 1hdn h ALA 82 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1hdn h ALA 82 CO -0.12 -0.15 -1.65 0.39 0.00 0.00 0.00 179.25 177.71 1hdn n GLU 83 N -3.09 2.10 -4.00 0.00 1.02 -0.81 -5.04 120.64 110.83 1hdn n GLU 83 Ca -0.02 0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.82 1hdn n GLU 83 Cb 0.21 -1.24 -0.16 0.00 -0.02 0.00 0.00 31.44 30.23 1hdn n GLU 83 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hdn s LEU 84 N -4.86 2.20 0.00 -4.62 1.43 0.85 -5.11 118.68 108.57 1hdn s LEU 84 Ca -0.07 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1hdn s LEU 84 Cb 0.03 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1hdn s LEU 84 CO 0.36 -0.14 0.30 -0.62 0.23 0.00 0.00 176.35 176.49