#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 2.03 0.07 1.12 5.36 -0.72 -4.99 117.98 120.86 1hdn s PHE 2 Ca 0.00 -0.40 0.08 0.00 -0.96 0.00 0.00 56.93 55.65 1hdn s PHE 2 Cb 0.00 -1.31 -0.03 0.00 -0.34 0.00 0.00 43.02 41.34 1hdn s PHE 2 CO 0.00 -0.05 -0.22 -0.65 -1.46 0.00 0.00 175.22 172.84 1hdn s GLN 3 N -0.50 1.33 -0.02 10.12 -0.21 -1.26 -0.61 119.66 128.51 1hdn s GLN 3 Ca 0.08 -1.08 0.01 0.00 0.02 0.00 0.00 55.36 54.39 1hdn s GLN 3 Cb -0.09 -1.54 0.01 0.00 1.00 0.00 0.00 33.01 32.39 1hdn s GLN 3 CO -0.01 0.38 -0.02 -1.14 -2.12 0.00 0.00 175.29 172.39 1hdn s GLN 4 N -1.54 0.30 -0.39 2.91 2.00 -0.52 -5.00 119.66 117.43 1hdn s GLN 4 Ca 0.08 -0.01 -0.16 0.00 -2.00 0.00 0.00 55.36 53.27 1hdn s GLN 4 Cb -0.09 -0.39 0.01 0.00 0.80 0.00 0.00 33.01 33.33 1hdn s GLN 4 CO 0.03 -0.04 0.37 -2.00 -0.50 0.00 0.00 175.29 173.14 1hdn s GLU 5 N 0.54 3.25 0.10 1.67 2.12 -1.26 -0.64 118.70 124.48 1hdn s GLU 5 Ca -0.05 -0.70 0.06 0.00 0.36 0.00 0.00 54.97 54.65 1hdn s GLU 5 Cb -0.08 -3.90 -0.03 0.00 0.26 0.00 0.00 34.13 30.37 1hdn s GLU 5 CO -0.01 -0.69 -0.16 0.08 -0.54 0.00 0.00 175.26 173.94 1hdn s VAL 6 N 1.97 1.39 0.11 3.70 1.01 -0.14 -5.00 120.40 123.44 1hdn s VAL 6 Ca 0.10 -1.54 0.04 0.00 0.00 0.00 0.00 61.98 60.58 1hdn s VAL 6 Cb -0.17 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1hdn s VAL 6 CO 0.12 -0.25 0.08 0.42 0.00 0.00 0.00 175.10 175.47 1hdn s THR 7 N -1.57 4.38 -0.23 3.92 -4.23 -1.26 0.01 115.64 116.66 1hdn s THR 7 Ca 0.05 -0.93 -0.28 0.00 -1.18 0.00 0.00 61.69 59.35 1hdn s THR 7 Cb -0.08 -3.15 0.01 0.00 1.34 0.00 0.00 72.50 70.62 1hdn s THR 7 CO 0.03 0.04 0.99 -0.63 -0.54 0.00 0.00 174.62 174.52 1hdn s ILE 8 N -1.50 4.71 -0.24 2.99 1.09 -0.24 -4.83 121.20 123.18 1hdn s ILE 8 Ca 0.29 1.92 0.03 0.00 -1.10 0.00 0.00 60.65 61.80 1hdn s ILE 8 Cb -0.11 -4.27 -0.19 0.00 -1.06 0.00 0.00 42.46 36.83 1hdn s ILE 8 CO 0.22 -0.16 -0.14 0.35 -0.10 0.00 0.00 174.94 175.10 1hdn n THR 9 N 5.32 1.50 -1.64 2.92 -2.24 -1.26 -2.22 114.28 116.66 1hdn n THR 9 Ca 0.11 -0.61 -0.53 0.00 -2.27 0.00 0.00 64.05 60.74 1hdn n THR 9 Cb 0.46 -1.32 -0.06 0.00 -2.10 0.00 0.00 70.33 67.31 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 -3.17 -0.40 -0.29 6.98 0.00 -1.26 -4.90 120.51 117.47 1hdn n ALA 10 Ca -0.43 0.45 0.25 0.00 0.00 0.00 0.00 53.44 53.72 1hdn n ALA 10 Cb 1.02 -2.17 0.59 0.00 0.00 0.00 0.00 19.45 18.88 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 5.84 0.25 0.00 0.00 0.11 -1.97 -3.23 132.00 133.00 1hdn h PRO 11 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1hdn h PRO 11 Cb 1.32 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1hdn h PRO 11 CO 0.86 0.16 0.00 0.27 -0.21 0.00 0.00 178.00 179.08 1hdn n ASN 12 N -4.46 0.00 0.00 -2.05 0.23 -1.26 -4.66 115.26 103.06 1hdn n ASN 12 Ca 0.23 0.07 0.00 0.00 -0.53 0.00 0.00 54.58 54.35 1hdn n ASN 12 Cb 0.93 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 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 1.64 0.82 3.19 4.83 0.00 -1.22 -1.90 105.19 112.55 1hdn n GLY 13 Ca 0.00 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 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 4.58 0.00 0.99 4.32 -1.22 -4.81 117.00 120.86 1hdn n LEU 14 Ca 0.00 -3.36 -0.13 0.00 -0.02 0.00 0.00 56.01 52.50 1hdn n LEU 14 Cb 0.00 -1.45 0.10 0.00 -1.62 0.00 0.00 43.42 40.45 1hdn n LEU 14 CO 0.00 -0.30 0.31 0.00 -1.22 0.00 0.00 177.39 176.18 1hdn n HIS 15 N 8.82 -3.63 -0.34 -1.77 1.44 -1.26 -4.34 115.22 114.13 1hdn n HIS 15 Ca 0.49 -0.45 0.10 0.00 -2.01 0.00 0.00 57.72 55.84 1hdn n HIS 15 Cb 0.42 -0.46 0.21 0.00 0.12 0.00 0.00 29.99 30.27 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 -1.74 0.03 0.06 0.61 1.35 -1.92 0.18 112.91 111.48 1hdn h THR 16 Ca -0.18 -0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.54 1hdn h THR 16 Cb 0.52 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1hdn h THR 16 CO 0.12 0.00 -0.70 0.03 -0.25 0.00 0.00 175.52 174.72 1hdn h ARG 17 N 0.01 0.12 -0.55 4.72 3.08 -1.95 -1.98 114.38 117.82 1hdn h ARG 17 Ca 0.52 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.34 1hdn h ARG 17 Cb 0.94 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 1hdn h ARG 17 CO -0.96 1.10 0.23 -1.00 -1.07 0.00 0.00 179.97 178.28 1hdn h PRO 18 N -0.71 0.79 -0.45 0.04 0.13 -1.82 -1.93 132.00 128.06 1hdn h PRO 18 Ca -0.16 -0.11 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1hdn h PRO 18 Cb 1.36 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1hdn h PRO 18 CO 0.01 0.64 0.29 0.00 -0.23 0.00 0.00 178.00 178.71 1hdn h ALA 19 N 1.47 0.57 -0.78 -0.56 0.00 -1.06 -0.38 119.26 118.51 1hdn h ALA 19 Ca 0.19 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1hdn h ALA 19 Cb 0.14 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1hdn h ALA 19 CO -0.02 0.01 0.48 0.00 0.00 0.00 0.00 179.25 179.72 1hdn h ALA 20 N 1.17 1.05 -0.03 0.00 0.00 -1.02 -0.67 119.26 119.77 1hdn h ALA 20 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1hdn h ALA 20 Cb -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1hdn h ALA 20 CO -0.04 0.22 0.02 1.96 0.00 0.00 0.00 179.25 181.41 1hdn h GLN 21 N 0.89 0.04 -0.58 0.00 4.20 -0.95 -2.15 115.11 116.56 1hdn h GLN 21 Ca 0.33 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.09 1hdn h GLN 21 Cb 0.13 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 1hdn h GLN 21 CO -0.16 0.04 0.31 0.35 -0.67 0.00 0.00 178.83 178.70 1hdn h PHE 22 N 0.03 0.57 -0.22 2.96 3.57 -0.64 -2.20 116.94 121.00 1hdn h PHE 22 Ca 0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1hdn h PHE 22 Cb 0.01 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1hdn h PHE 22 CO -0.07 0.28 -0.01 0.28 -2.23 0.00 0.00 178.31 176.55 1hdn h VAL 23 N 0.59 0.83 -0.52 1.41 2.07 -1.08 -1.39 116.25 118.16 1hdn h VAL 23 Ca 0.26 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.86 1hdn h VAL 23 Cb 0.16 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 1hdn h VAL 23 CO -0.17 0.01 -0.01 0.50 0.02 0.00 0.00 177.57 177.92 1hdn h LYS 24 N 0.05 0.11 0.51 1.57 3.11 -0.77 -0.26 116.57 120.89 1hdn h LYS 24 Ca 0.10 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.91 1hdn h LYS 24 Cb 0.14 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.35 1hdn h LYS 24 CO -0.19 0.07 -0.25 1.49 -2.81 0.00 0.00 179.45 177.77 1hdn h GLU 25 N 0.11 -0.66 -0.84 1.90 4.57 -1.28 -3.30 114.58 115.08 1hdn h GLU 25 Ca 0.26 0.05 0.19 0.00 -1.18 0.00 0.00 59.36 58.68 1hdn h GLU 25 Cb 0.41 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 29.09 1hdn h GLU 25 CO -0.45 -0.36 0.56 0.00 -1.18 0.00 0.00 179.01 177.59 1hdn h ALA 26 N -0.56 2.23 -0.39 2.92 0.00 -0.84 0.07 119.26 122.69 1hdn h ALA 26 Ca -0.07 0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1hdn h ALA 26 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1hdn h ALA 26 CO 0.12 -0.49 0.33 0.87 0.00 0.00 0.00 179.25 180.07 1hdn h LYS 27 N 0.37 0.00 -0.64 0.00 1.57 -1.13 -2.84 116.57 113.89 1hdn h LYS 27 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1hdn h LYS 27 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1hdn h LYS 27 CO -0.14 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.15 1hdn n GLY 28 N -1.54 2.06 3.59 3.86 0.00 0.01 -4.83 105.19 108.34 1hdn n GLY 28 Ca 0.06 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.88 2.86 0.15 1.61 0.08 -1.07 -5.05 117.98 114.68 1hdn s PHE 29 Ca 0.35 -0.06 -0.14 0.00 0.12 0.00 0.00 56.93 57.20 1hdn s PHE 29 Cb 0.24 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1hdn s PHE 29 CO 0.14 0.38 1.68 1.79 -0.10 0.00 0.00 175.22 179.11 1hdn h THR 30 N 3.66 1.22 -3.78 0.64 1.35 -1.89 -3.44 112.91 110.68 1hdn h THR 30 Ca -0.48 -0.73 -0.56 0.00 -0.55 0.00 0.00 66.41 64.08 1hdn h THR 30 Cb 1.17 0.79 0.15 0.00 -1.73 0.00 0.00 68.15 68.53 1hdn h THR 30 CO 0.54 0.27 0.34 -1.20 -0.25 0.00 0.00 175.52 175.21 1hdn n SER 31 N -4.53 1.58 -4.28 5.36 7.64 -1.26 -4.95 113.62 113.18 1hdn n SER 31 Ca 0.01 0.87 -0.41 0.00 1.01 0.00 0.00 58.87 60.35 1hdn n SER 31 Cb 0.18 -1.47 -0.09 0.00 -1.01 0.00 0.00 64.21 61.81 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 -2.89 2.65 -0.46 1.43 2.56 -0.35 -4.96 118.70 116.67 1hdn s GLU 32 Ca 0.76 -1.48 -0.29 0.00 0.00 0.00 0.00 54.97 53.96 1hdn s GLU 32 Cb -0.42 -3.85 0.02 0.00 2.00 0.00 0.00 34.13 31.89 1hdn s GLU 32 CO 0.46 -0.99 1.22 0.42 -0.56 0.00 0.00 175.26 175.81 1hdn s ILE 33 N 1.45 4.12 -0.77 -3.70 1.09 -1.26 -2.98 121.20 119.15 1hdn s ILE 33 Ca 0.03 1.14 -0.20 0.00 -1.10 0.00 0.00 60.65 60.53 1hdn s ILE 33 Cb -0.24 -4.49 0.11 0.00 -1.06 0.00 0.00 42.46 36.78 1hdn s ILE 33 CO 0.02 -0.94 0.98 -0.89 -0.10 0.00 0.00 174.94 174.02 1hdn s THR 34 N 4.73 4.62 -0.71 2.92 2.01 0.94 -0.98 115.64 129.16 1hdn s THR 34 Ca 0.52 -1.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.22 1hdn s THR 34 Cb -0.09 -4.69 0.05 0.00 0.01 0.00 0.00 72.50 67.79 1hdn s THR 34 CO 0.32 -1.41 1.12 -0.69 -0.69 0.00 0.00 174.62 173.27 1hdn s VAL 35 N 3.13 4.06 -0.51 3.82 1.01 -0.65 -1.61 120.40 129.64 1hdn s VAL 35 Ca 0.25 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 1hdn s VAL 35 Cb -0.13 -4.80 0.07 0.00 0.00 0.00 0.00 36.38 31.52 1hdn s VAL 35 CO 0.01 -1.65 0.56 -0.89 0.00 0.00 0.00 175.10 173.13 1hdn s THR 36 N 4.77 4.99 -0.47 3.92 2.01 -0.33 -1.45 115.64 129.08 1hdn s THR 36 Ca 0.29 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 1hdn s THR 36 Cb -0.12 -4.27 0.11 0.00 0.01 0.00 0.00 72.50 68.23 1hdn s THR 36 CO 0.11 -0.78 0.35 -0.55 -0.69 0.00 0.00 174.62 173.06 1hdn s SER 37 N 2.83 5.77 -0.36 3.53 0.15 0.42 -1.08 113.70 124.96 1hdn s SER 37 Ca 0.11 -1.82 -0.32 0.00 0.70 0.00 0.00 55.95 54.62 1hdn s SER 37 Cb -0.22 -2.04 0.05 0.00 -1.71 0.00 0.00 66.02 62.10 1hdn s SER 37 CO 0.09 -0.69 0.53 0.59 1.20 0.00 0.00 173.24 174.96 1hdn n ASN 38 N 4.96 -4.90 0.00 5.45 5.03 0.20 -2.53 115.26 123.47 1hdn n ASN 38 Ca -0.09 -0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.26 1hdn n ASN 38 Cb 0.41 -1.40 0.00 0.00 -1.02 0.00 0.00 39.78 37.77 1hdn n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hdn n GLY 39 N -0.02 0.92 3.68 7.41 0.00 -1.26 -4.94 105.19 110.98 1hdn n GLY 39 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 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 4.27 -0.02 1.61 1.02 -1.05 -5.04 119.74 120.53 1hdn s LYS 40 Ca 0.00 0.64 0.03 0.00 0.02 0.00 0.00 55.97 56.66 1hdn s LYS 40 Cb 0.00 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 1hdn s LYS 40 CO 0.00 -0.13 -0.09 -1.12 -0.92 0.00 0.00 175.35 173.09 1hdn s SER 41 N 1.04 4.44 -0.00 2.83 0.01 -1.26 -0.44 113.70 120.32 1hdn s SER 41 Ca 0.30 -0.15 -0.01 0.00 1.31 0.00 0.00 55.95 57.40 1hdn s SER 41 Cb -0.16 -1.01 -0.00 0.00 0.21 0.00 0.00 66.02 65.06 1hdn s SER 41 CO 0.12 0.31 0.01 0.00 0.41 0.00 0.00 173.24 174.09 1hdn s ALA 42 N -0.90 -0.02 -0.04 1.44 0.00 -0.53 -5.00 121.76 116.72 1hdn s ALA 42 Ca 0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 1hdn s ALA 42 Cb -0.11 0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.95 1hdn s ALA 42 CO 0.04 -0.05 1.95 0.45 0.00 0.00 0.00 175.76 178.15 1hdn s SER 43 N -0.37 6.29 0.42 0.00 0.15 -1.26 -1.64 113.70 117.29 1hdn s SER 43 Ca -0.04 2.39 0.29 0.00 0.70 0.00 0.00 55.95 59.28 1hdn s SER 43 Cb -0.03 -2.53 1.53 0.00 -1.71 0.00 0.00 66.02 63.29 1hdn s SER 43 CO -0.00 -1.22 1.88 0.00 1.20 0.00 0.00 173.24 175.10 1hdn h ALA 44 N 11.30 1.00 -0.24 5.45 0.00 -1.43 -2.81 119.26 132.53 1hdn h ALA 44 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1hdn h ALA 44 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1hdn h ALA 44 CO 0.95 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.83 1hdn n LYS 45 N -2.52 1.90 -4.55 0.00 5.02 -1.26 -4.13 118.16 112.63 1hdn n LYS 45 Ca -0.02 -1.37 -0.26 0.00 -2.02 0.00 0.00 58.31 54.65 1hdn n LYS 45 Cb 0.07 -1.41 -0.17 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.48 1.99 0.08 4.39 0.15 -1.06 -4.79 113.70 112.99 1hdn s SER 46 Ca 0.33 -0.33 -0.36 0.00 0.70 0.00 0.00 55.95 56.28 1hdn s SER 46 Cb 0.18 -0.90 -0.18 0.00 -1.71 0.00 0.00 66.02 63.41 1hdn s SER 46 CO 0.26 0.02 1.57 -0.07 1.20 0.00 0.00 173.24 176.22 1hdn h LEU 47 N 7.13 -1.37 -0.65 3.45 3.38 -1.87 -2.03 115.31 123.34 1hdn h LEU 47 Ca -0.30 0.11 0.11 0.00 0.09 0.00 0.00 57.88 57.88 1hdn h LEU 47 Cb 1.18 0.45 -0.08 0.00 0.09 0.00 0.00 40.66 42.30 1hdn h LEU 47 CO 0.47 -0.68 0.25 0.15 0.09 0.00 0.00 178.44 178.71 1hdn h PHE 48 N -1.04 0.43 0.54 1.13 3.57 -1.96 0.68 116.94 120.29 1hdn h PHE 48 Ca -0.07 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1hdn h PHE 48 Cb 0.89 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.55 1hdn h PHE 48 CO -0.23 0.09 -0.26 0.87 -2.23 0.00 0.00 178.31 176.55 1hdn h LYS 49 N 0.42 -0.70 -0.28 1.11 1.79 -1.83 -2.83 116.57 114.26 1hdn h LYS 49 Ca 0.34 0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 58.69 1hdn h LYS 49 Cb 0.44 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1hdn h LYS 49 CO -0.34 -0.41 -0.49 1.25 -1.08 0.00 0.00 179.45 178.38 1hdn h LEU 50 N -0.87 0.83 -0.38 2.94 5.85 -0.83 -2.44 115.31 120.41 1hdn h LEU 50 Ca -0.07 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1hdn h LEU 50 Cb 0.61 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1hdn h LEU 50 CO 0.12 1.18 0.00 0.00 -0.34 0.00 0.00 178.44 179.40 1hdn n GLN 51 N -4.01 0.06 -0.01 1.25 6.02 0.19 -1.59 117.38 119.29 1hdn n GLN 51 Ca -0.03 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 1hdn n GLN 51 Cb 0.59 -1.65 0.01 0.00 1.02 0.00 0.00 30.24 30.20 1hdn n GLN 51 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1hdn n THR 52 N -1.77 0.98 -3.08 5.09 -2.24 -1.07 -4.86 114.28 107.32 1hdn n THR 52 Ca 0.01 -0.99 -0.33 0.00 -2.27 0.00 0.00 64.05 60.48 1hdn n THR 52 Cb 0.11 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 1hdn n THR 52 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1hdn s LEU 53 N -0.98 4.07 -0.58 3.22 2.96 -0.62 -4.95 118.68 121.80 1hdn s LEU 53 Ca 0.01 1.36 -0.21 0.00 -0.22 0.00 0.00 54.13 55.08 1hdn s LEU 53 Cb 0.01 -4.11 -0.18 0.00 0.50 0.00 0.00 46.19 42.40 1hdn s LEU 53 CO 0.01 -0.21 1.83 0.61 -1.32 0.00 0.00 176.35 177.27 1hdn n GLY 54 N -0.31 2.15 3.28 7.98 0.00 -1.26 -4.82 105.19 112.20 1hdn n GLY 54 Ca 0.04 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1hdn n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hdn s LEU 55 N 0.72 6.22 0.20 0.99 1.43 -1.26 -4.82 118.68 122.16 1hdn s LEU 55 Ca 0.55 -3.39 0.03 0.00 -1.03 0.00 0.00 54.13 50.29 1hdn s LEU 55 Cb 0.13 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1hdn s LEU 55 CO 0.14 -0.33 -0.02 0.28 0.23 0.00 0.00 176.35 176.65 1hdn s THR 56 N -0.91 0.95 0.21 5.49 -1.32 -1.26 -3.40 115.64 115.41 1hdn s THR 56 Ca 0.27 -2.02 -0.31 0.00 -1.21 0.00 0.00 61.69 58.41 1hdn s THR 56 Cb -0.10 -2.19 -0.15 0.00 -1.51 0.00 0.00 72.50 68.54 1hdn s THR 56 CO -0.09 -0.44 1.11 1.67 -2.21 0.00 0.00 174.62 174.66 1hdn n GLN 57 N -0.33 1.23 0.00 7.08 -0.06 -0.80 -2.98 117.38 121.53 1hdn n GLN 57 Ca -0.06 0.44 0.00 0.00 -2.00 0.00 0.00 57.00 55.37 1hdn n GLN 57 Cb 0.63 -1.88 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 1hdn n GLN 57 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1hdn n GLY 58 N 1.77 2.77 3.68 1.69 0.00 -0.94 -5.01 105.19 109.15 1hdn n GLY 58 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1hdn n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hdn n THR 59 N -0.37 2.52 -3.65 2.61 -1.04 -1.16 -4.67 114.28 108.51 1hdn n THR 59 Ca 0.00 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.15 1hdn n THR 59 Cb 0.00 -1.45 -0.09 0.00 -1.82 0.00 0.00 70.33 66.98 1hdn n THR 59 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1hdn s VAL 60 N -1.21 5.36 -0.20 12.58 1.01 -1.26 -1.08 120.40 135.60 1hdn s VAL 60 Ca 0.61 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.87 1hdn s VAL 60 Cb -0.53 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.37 1hdn s VAL 60 CO 0.58 0.37 -0.15 0.54 0.00 0.00 0.00 175.10 176.44 1hdn s VAL 61 N 0.81 1.96 -0.58 2.92 0.11 0.10 -0.63 120.40 125.10 1hdn s VAL 61 Ca 0.09 -1.13 -0.24 0.00 -2.93 0.00 0.00 61.98 57.78 1hdn s VAL 61 Cb -0.13 -1.92 0.05 0.00 -1.53 0.00 0.00 36.38 32.85 1hdn s VAL 61 CO 0.03 0.30 0.95 -0.89 -3.33 0.00 0.00 175.10 172.15 1hdn s THR 62 N 1.27 4.37 -0.80 5.04 2.01 -0.24 -0.96 115.64 126.33 1hdn s THR 62 Ca -0.00 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.90 1hdn s THR 62 Cb -0.16 -4.57 0.09 0.00 0.01 0.00 0.00 72.50 67.87 1hdn s THR 62 CO -0.10 -1.20 1.10 -0.63 -0.69 0.00 0.00 174.62 173.11 1hdn s ILE 63 N 3.98 4.38 -0.23 1.82 1.01 0.19 -1.19 121.20 131.17 1hdn s ILE 63 Ca 0.28 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 1hdn s ILE 63 Cb -0.14 -4.78 -0.03 0.00 0.01 0.00 0.00 42.46 37.53 1hdn s ILE 63 CO 0.17 -1.56 0.04 -0.55 0.00 0.00 0.00 174.94 173.04 1hdn s SER 64 N 3.83 5.02 -0.30 3.58 0.15 -0.64 -1.44 113.70 123.90 1hdn s SER 64 Ca 0.30 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.73 1hdn s SER 64 Cb -0.10 -1.88 0.05 0.00 -1.71 0.00 0.00 66.02 62.38 1hdn s SER 64 CO 0.01 0.01 -0.01 0.00 1.20 0.00 0.00 173.24 174.46 1hdn s ALA 65 N 1.33 2.80 -0.23 5.45 0.00 0.22 -0.04 121.76 131.28 1hdn s ALA 65 Ca 0.05 -1.75 -0.19 0.00 0.00 0.00 0.00 51.96 50.07 1hdn s ALA 65 Cb -0.15 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1hdn s ALA 65 CO 0.02 -1.25 0.54 -1.21 0.00 0.00 0.00 175.76 173.87 1hdn s GLU 66 N 1.25 4.14 0.00 0.00 2.02 -1.16 -1.76 118.70 123.19 1hdn s GLU 66 Ca -0.05 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.36 1hdn s GLU 66 Cb -0.20 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.43 1hdn s GLU 66 CO -0.01 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1hdn n GLY 67 N 4.10 0.31 0.06 -1.39 0.00 -1.26 -1.22 105.19 105.80 1hdn n GLY 67 Ca -0.04 -1.36 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 -1.83 1.61 5.08 -1.93 -3.39 114.58 114.12 1hdn h GLU 68 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1hdn h GLU 68 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1hdn h GLU 68 CO 0.00 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 177.61 1hdn n ASP 69 N -4.44 4.30 -0.01 1.42 5.68 -1.26 -4.62 116.55 117.62 1hdn n ASP 69 Ca -0.06 -2.15 -0.06 0.00 -0.50 0.00 0.00 54.79 52.02 1hdn n ASP 69 Cb 0.24 -0.89 -0.04 0.00 -1.14 0.00 0.00 41.12 39.30 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 1.15 -0.20 -0.51 0.11 4.11 -1.85 -0.25 114.58 117.13 1hdn h GLU 70 Ca 0.00 0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.50 1hdn h GLU 70 Cb 0.88 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1hdn h GLU 70 CO 0.00 -0.13 0.23 1.96 0.07 0.00 0.00 179.01 181.13 1hdn h GLN 71 N -0.21 0.43 -0.22 1.06 4.20 -1.89 -2.25 115.11 116.23 1hdn h GLN 71 Ca 0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1hdn h GLN 71 Cb 0.25 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1hdn h GLN 71 CO -0.18 0.28 0.12 -0.22 -0.67 0.00 0.00 178.83 178.17 1hdn h LYS 72 N 0.44 0.31 -0.05 1.46 3.64 -1.83 0.72 116.57 121.26 1hdn h LYS 72 Ca 0.24 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1hdn h LYS 72 Cb 0.20 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1hdn h LYS 72 CO -0.20 0.29 -0.07 0.00 -2.27 0.00 0.00 179.45 177.21 1hdn h ALA 73 N 1.00 -0.03 0.09 5.00 0.00 -0.83 -2.65 119.26 121.84 1hdn h ALA 73 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1hdn h ALA 73 Cb 0.08 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1hdn h ALA 73 CO -0.01 -0.55 -0.04 0.28 0.00 0.00 0.00 179.25 178.93 1hdn h VAL 74 N -0.10 0.98 -0.40 0.00 2.07 -0.89 -0.43 116.25 117.48 1hdn h VAL 74 Ca 0.04 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.40 1hdn h VAL 74 Cb 0.16 1.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 1hdn h VAL 74 CO -0.11 0.06 -0.33 -0.08 0.02 0.00 0.00 177.57 177.14 1hdn h GLU 75 N -0.24 -0.24 0.13 1.57 4.81 -0.87 -0.29 114.58 119.45 1hdn h GLU 75 Ca -0.01 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1hdn h GLU 75 Cb 0.20 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1hdn h GLU 75 CO 0.02 -0.16 -0.06 1.25 -0.73 0.00 0.00 179.01 179.33 1hdn h HIS 76 N -0.25 -0.16 0.00 0.92 2.76 -1.35 -3.27 115.15 113.80 1hdn h HIS 76 Ca 0.17 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.30 1hdn h HIS 76 Cb 0.54 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1hdn h HIS 76 CO -0.54 0.12 -0.17 -0.07 -1.30 0.00 0.00 177.93 175.97 1hdn h LEU 77 N -0.43 0.00 -0.54 0.26 3.38 -0.59 -1.65 115.31 115.74 1hdn h LEU 77 Ca -0.02 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1hdn h LEU 77 Cb 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1hdn h LEU 77 CO 0.03 0.17 0.27 0.58 0.09 0.00 0.00 178.44 179.58 1hdn h VAL 78 N 0.00 0.95 0.22 1.22 2.07 -1.11 -0.58 116.25 119.02 1hdn h VAL 78 Ca -0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1hdn h VAL 78 Cb 0.40 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1hdn h VAL 78 CO 0.02 0.10 -0.15 0.11 0.02 0.00 0.00 177.57 177.67 1hdn h LYS 79 N 0.52 -0.35 -0.42 1.57 1.57 -1.39 -2.80 116.57 115.28 1hdn h LYS 79 Ca 0.24 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.11 1hdn h LYS 79 Cb 0.15 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 1hdn h LYS 79 CO -0.17 -0.23 0.10 -0.07 -0.57 0.00 0.00 179.45 178.51 1hdn h LEU 80 N -0.36 0.03 -1.32 2.94 4.07 -1.34 -0.47 115.31 118.86 1hdn h LEU 80 Ca -0.02 0.07 0.17 0.00 0.08 0.00 0.00 57.88 58.18 1hdn h LEU 80 Cb 0.31 0.09 -0.07 0.00 1.08 0.00 0.00 40.66 42.06 1hdn h LEU 80 CO 0.01 0.05 0.59 -0.03 -1.08 0.00 0.00 178.44 177.99 1hdn h MET 81 N 0.23 0.58 0.00 1.13 4.05 -0.99 -1.92 114.93 118.02 1hdn h MET 81 Ca 0.20 -0.03 -0.22 0.00 -0.28 0.00 0.00 59.70 59.37 1hdn h MET 81 Cb 0.24 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 1hdn h MET 81 CO -0.25 0.38 -1.24 0.00 0.23 0.00 0.00 176.91 176.03 1hdn h ALA 82 N 1.61 0.59 -0.43 0.39 0.00 -0.86 -3.40 119.26 117.16 1hdn h ALA 82 Ca 0.48 -1.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1hdn h ALA 82 Cb 0.91 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1hdn h ALA 82 CO -0.22 1.23 0.06 0.39 0.00 0.00 0.00 179.25 180.70 1hdn n GLU 83 N -3.15 3.07 -4.94 0.00 1.02 -0.60 -4.80 120.64 111.24 1hdn n GLU 83 Ca -0.07 -3.00 -0.31 0.00 -0.02 0.00 0.00 57.16 53.76 1hdn n GLU 83 Cb 0.93 -1.97 -0.14 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.95 2.47 0.00 -4.62 1.43 -1.09 -5.00 118.68 108.91 1hdn s LEU 84 Ca 0.47 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1hdn s LEU 84 Cb 0.39 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1hdn s LEU 84 CO 0.09 0.30 0.00 -0.62 0.23 0.00 0.00 176.35 176.35