#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hiq s THR 10 N 0.00 3.16 -0.12 0.00 2.01 -0.24 -3.03 115.64 117.42 2hiq s THR 10 Ca 0.00 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 2hiq s THR 10 Cb 0.00 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2hiq s THR 10 CO 0.00 0.55 0.04 -0.22 -0.69 0.00 0.00 174.62 174.30 2hiq s LEU 11 N -0.06 3.77 -0.16 4.42 0.20 0.77 -0.73 118.68 126.90 2hiq s LEU 11 Ca -0.02 0.17 -0.00 0.00 0.69 0.00 0.00 54.13 54.97 2hiq s LEU 11 Cb -0.14 -1.90 -0.00 0.00 -0.43 0.00 0.00 46.19 43.72 2hiq s LEU 11 CO 0.04 0.31 -0.14 -0.22 -0.29 0.00 0.00 176.35 176.05 2hiq s LEU 12 N -0.48 2.53 -0.15 -0.68 2.96 0.36 -0.83 118.68 122.38 2hiq s LEU 12 Ca 0.10 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2hiq s LEU 12 Cb -0.12 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 44.99 2hiq s LEU 12 CO 0.02 0.08 -0.18 0.00 -1.32 0.00 0.00 176.35 174.95 2hiq s GLN 13 N 0.87 3.14 0.03 1.98 -2.07 -0.31 -0.19 119.66 123.11 2hiq s GLN 13 Ca -0.04 -0.79 0.02 0.00 -1.82 0.00 0.00 55.36 52.73 2hiq s GLN 13 Cb -0.15 -2.55 -0.02 0.00 -1.09 0.00 0.00 33.01 29.20 2hiq s GLN 13 CO -0.01 0.01 -0.07 -0.51 -1.32 0.00 0.00 175.29 173.39 2hiq s LEU 14 N 0.80 2.17 0.20 2.60 1.02 -0.43 -1.35 118.68 123.69 2hiq s LEU 14 Ca -0.06 -0.40 -0.19 0.00 0.02 0.00 0.00 54.13 53.50 2hiq s LEU 14 Cb -0.15 -0.23 0.03 0.00 0.02 0.00 0.00 46.19 45.86 2hiq s LEU 14 CO -0.00 -0.10 0.57 -1.38 0.02 0.00 0.00 176.35 175.45 2hiq s HIS 15 N -0.93 -0.19 -0.01 0.29 -3.43 -0.98 -0.78 115.29 109.26 2hiq s HIS 15 Ca -0.05 -0.15 -0.30 0.00 -0.80 0.00 0.00 55.06 53.76 2hiq s HIS 15 Cb -0.07 0.47 0.11 0.00 -1.43 0.00 0.00 32.58 31.65 2hiq s HIS 15 CO 0.00 -0.96 1.10 -0.59 -2.00 0.00 0.00 174.74 172.29 2hiq s PHE 16 N -3.86 -0.15 0.40 0.38 -0.12 0.41 -1.53 117.98 113.51 2hiq s PHE 16 Ca 0.08 -0.00 -0.27 0.00 -0.05 0.00 0.00 56.93 56.69 2hiq s PHE 16 Cb -0.02 0.56 -0.09 0.00 -0.63 0.00 0.00 43.02 42.84 2hiq s PHE 16 CO -0.03 -0.46 1.36 0.00 -0.05 0.00 0.00 175.22 176.04 2hiq s ALA 17 N -2.80 3.36 -0.16 1.99 0.00 -1.26 -1.32 121.76 121.56 2hiq s ALA 17 Ca 0.11 1.35 -0.14 0.00 0.00 0.00 0.00 51.96 53.27 2hiq s ALA 17 Cb 0.01 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.64 2hiq s ALA 17 CO -0.04 -0.91 0.43 0.12 0.00 0.00 0.00 175.76 175.36 2hiq s PHE 18 N -1.20 -0.48 -1.51 0.00 5.36 -0.07 -4.74 117.98 115.34 2hiq s PHE 18 Ca 0.55 1.16 0.15 0.00 -0.96 0.00 0.00 56.93 57.83 2hiq s PHE 18 Cb -0.41 0.17 0.30 0.00 -0.34 0.00 0.00 43.02 42.74 2hiq s PHE 18 CO 0.54 -0.24 1.21 0.09 -1.46 0.00 0.00 175.22 175.36 2hiq n ASN 19 N 2.99 2.88 0.00 6.13 5.03 -1.26 -3.60 115.26 127.43 2hiq n ASN 19 Ca -0.14 -1.86 0.00 0.00 0.87 0.00 0.00 54.58 53.45 2hiq n ASN 19 Cb 0.57 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 2hiq n ASN 19 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2hiq n GLY 20 N 0.87 2.66 3.71 7.41 0.00 -1.26 -4.94 105.19 113.64 2hiq n GLY 20 Ca 0.13 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.77 2hiq n GLY 20 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2hiq s PRO 21 N -2.00 0.88 0.29 1.61 0.02 -1.26 -5.11 135.00 129.44 2hiq s PRO 21 Ca 0.00 0.62 0.03 0.00 0.02 0.00 0.00 61.00 61.67 2hiq s PRO 21 Cb 0.00 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.68 2hiq s PRO 21 CO 0.00 -2.45 0.07 -0.06 -0.33 0.00 0.00 177.00 174.23 2hiq s PHE 22 N -2.98 1.77 0.00 6.54 0.40 -1.26 -4.41 117.98 118.03 2hiq s PHE 22 Ca 0.64 -1.04 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2hiq s PHE 22 Cb -0.18 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.24 2hiq s PHE 22 CO 0.57 -0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.77 2hiq n GLY 23 N -0.58 2.79 0.23 4.36 0.00 -1.26 -1.51 105.19 109.22 2hiq n GLY 23 Ca -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.86 2hiq n GLY 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2hiq h ASP 24 N 2.07 0.25 -0.84 1.61 3.32 -1.98 -0.29 116.42 120.56 2hiq h ASP 24 Ca 0.00 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2hiq h ASP 24 Cb 0.00 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 2hiq h ASP 24 CO 0.00 0.46 0.49 0.00 -1.72 0.00 0.00 179.24 178.48 2hiq h ALA 25 N 1.57 1.08 -0.30 3.45 0.00 -1.76 0.95 119.26 124.24 2hiq h ALA 25 Ca 0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2hiq h ALA 25 Cb 0.48 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2hiq h ALA 25 CO 0.03 0.55 -0.20 1.98 0.00 0.00 0.00 179.25 181.62 2hiq h MET 26 N 1.16 0.66 -0.86 0.00 1.85 -0.60 -1.72 114.93 115.42 2hiq h MET 26 Ca 0.30 -0.31 0.03 0.00 -0.61 0.00 0.00 59.70 59.10 2hiq h MET 26 Cb -0.02 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 31.95 2hiq h MET 26 CO -0.05 0.91 0.56 0.00 -0.40 0.00 0.00 176.91 177.93 2hiq h ALA 27 N 0.74 1.12 -0.13 0.39 0.00 -0.55 0.28 119.26 121.11 2hiq h ALA 27 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2hiq h ALA 27 Cb 0.74 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2hiq h ALA 27 CO 0.05 0.43 -0.06 1.49 0.00 0.00 0.00 179.25 181.16 2hiq h GLU 28 N 1.10 0.26 0.25 0.00 4.81 -0.76 -2.75 114.58 117.50 2hiq h GLU 28 Ca 0.33 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2hiq h GLU 28 Cb -0.04 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2hiq h GLU 28 CO -0.10 0.60 -0.12 1.96 -0.73 0.00 0.00 179.01 180.62 2hiq h GLN 29 N -0.08 -0.32 -0.12 1.92 1.08 -1.01 -3.26 115.11 113.32 2hiq h GLN 29 Ca 0.03 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2hiq h GLN 29 Cb 0.52 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2hiq h GLN 29 CO 0.02 -0.10 0.00 1.28 -0.95 0.00 0.00 178.83 179.08 2hiq n LEU 30 N -5.16 1.17 -0.27 1.46 7.99 0.06 -4.28 117.00 117.97 2hiq n LEU 30 Ca -0.09 -0.49 0.08 0.00 -0.01 0.00 0.00 56.01 55.49 2hiq n LEU 30 Cb 0.21 -0.07 0.22 0.00 -0.11 0.00 0.00 43.42 43.66 2hiq n LEU 30 CO 0.33 0.25 1.01 0.50 -1.51 0.00 0.00 177.39 177.97 2hiq h LYS 31 N 1.56 0.38 -0.51 3.23 3.64 -1.53 0.19 116.57 123.53 2hiq h LYS 31 Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2hiq h LYS 31 Cb 0.34 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2hiq h LYS 31 CO 0.00 0.25 0.25 -1.35 -2.27 0.00 0.00 179.45 176.33 2hiq h PRO 32 N 0.40 0.72 -0.49 1.90 0.11 -1.84 -2.02 132.00 130.77 2hiq h PRO 32 Ca 0.46 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 66.37 2hiq h PRO 32 Cb 0.77 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2hiq h PRO 32 CO -0.47 0.56 -0.15 1.25 -0.21 0.00 0.00 178.00 178.98 2hiq h LEU 33 N 0.72 0.98 -1.08 2.35 5.85 -0.98 -2.40 115.31 120.75 2hiq h LEU 33 Ca 0.18 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 2hiq h LEU 33 Cb 0.07 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2hiq h LEU 33 CO -0.02 1.12 0.18 0.00 -0.34 0.00 0.00 178.44 179.38 2hiq h ALA 34 N 0.88 1.27 -0.38 1.25 0.00 -0.66 -2.05 119.26 119.57 2hiq h ALA 34 Ca 0.12 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2hiq h ALA 34 Cb 0.71 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2hiq h ALA 34 CO 0.05 0.53 -0.24 0.93 0.00 0.00 0.00 179.25 180.52 2hiq h GLU 35 N 0.81 0.78 -0.04 0.00 5.08 -1.15 -3.02 114.58 117.04 2hiq h GLU 35 Ca 0.19 -0.32 -0.14 0.00 -1.00 0.00 0.00 59.36 58.09 2hiq h GLU 35 Cb 0.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2hiq h GLU 35 CO -0.01 0.94 -0.59 0.66 -1.00 0.00 0.00 179.01 179.01 2hiq h SER 36 N 0.67 0.16 -0.45 1.42 4.64 -1.07 -3.01 113.55 115.92 2hiq h SER 36 Ca 0.09 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2hiq h SER 36 Cb 0.76 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 2hiq h SER 36 CO 0.06 0.71 0.22 0.40 -0.87 0.00 0.00 176.83 177.36 2hiq h ILE 37 N 0.11 1.17 -0.01 0.95 2.04 -1.25 -0.69 117.51 119.82 2hiq h ILE 37 Ca -0.01 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2hiq h ILE 37 Cb 1.07 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2hiq h ILE 37 CO 0.09 0.20 0.04 0.78 0.00 0.00 0.00 178.15 179.25 2hiq h ASN 38 N 0.68 0.00 0.46 1.72 -0.26 -1.47 -0.22 115.58 116.49 2hiq h ASN 38 Ca 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2hiq h ASN 38 Cb 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.35 2hiq h ASN 38 CO -0.02 0.00 -0.50 0.00 -1.06 0.00 0.00 177.43 175.85 2hiq n GLN 39 N -3.20 0.07 -1.92 0.81 1.13 -0.27 -4.94 117.38 109.06 2hiq n GLN 39 Ca -0.03 -0.04 -0.40 0.00 -1.94 0.00 0.00 57.00 54.59 2hiq n GLN 39 Cb 0.11 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.96 2hiq n GLN 39 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2hiq s GLU 40 N -2.96 3.93 0.24 -1.09 0.41 -0.09 -4.94 118.70 114.20 2hiq s GLU 40 Ca 0.12 2.33 -0.31 0.00 -0.41 0.00 0.00 54.97 56.70 2hiq s GLU 40 Cb 0.18 -2.79 -0.11 0.00 -1.78 0.00 0.00 34.13 29.62 2hiq s GLU 40 CO 0.69 -0.59 1.61 -2.14 -0.49 0.00 0.00 175.26 174.35 2hiq s PRO 41 N -2.24 4.16 0.00 0.39 0.02 -1.26 -2.55 135.00 133.52 2hiq s PRO 41 Ca 0.57 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.10 2hiq s PRO 41 Cb -0.42 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.03 2hiq s PRO 41 CO 0.55 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.98 2hiq n GLY 42 N 3.04 0.40 3.74 0.52 0.00 -1.26 -4.81 105.19 106.82 2hiq n GLY 42 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2hiq n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2hiq s PHE 43 N -2.03 3.52 -0.05 1.61 5.36 -1.06 -0.26 117.98 125.07 2hiq s PHE 43 Ca 0.00 1.53 -0.04 0.00 -0.96 0.00 0.00 56.93 57.46 2hiq s PHE 43 Cb 0.00 -3.35 -0.03 0.00 -0.34 0.00 0.00 43.02 39.31 2hiq s PHE 43 CO 0.00 -0.87 -0.09 1.28 -1.46 0.00 0.00 175.22 174.08 2hiq n LEU 44 N 2.37 0.67 -3.60 6.12 4.77 -0.13 -4.89 117.00 122.30 2hiq n LEU 44 Ca 0.03 0.11 -0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2hiq n LEU 44 Cb 0.45 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2hiq n LEU 44 CO 0.55 -0.00 0.67 -1.66 -1.33 0.00 0.00 177.39 175.62 2hiq s TRP 45 N -2.15 -0.27 -0.07 -1.77 1.48 -1.19 -5.00 118.94 109.96 2hiq s TRP 45 Ca -0.10 0.06 -0.07 0.00 -1.06 0.00 0.00 56.10 54.93 2hiq s TRP 45 Cb 0.03 0.58 0.02 0.00 -1.16 0.00 0.00 33.47 32.95 2hiq s TRP 45 CO 0.12 -0.70 0.20 0.21 -4.06 0.00 0.00 176.95 172.72 2hiq s LYS 46 N -3.26 0.23 -0.20 3.25 2.20 -1.26 -1.55 119.74 119.15 2hiq s LYS 46 Ca 0.08 0.28 -0.02 0.00 -0.36 0.00 0.00 55.97 55.95 2hiq s LYS 46 Cb -0.01 0.10 -0.00 0.00 -1.51 0.00 0.00 37.83 36.40 2hiq s LYS 46 CO -0.05 -0.03 -0.08 0.08 -0.36 0.00 0.00 175.35 174.91 2hiq s VAL 47 N 0.16 3.09 -0.03 4.02 1.01 0.14 -4.95 120.40 123.85 2hiq s VAL 47 Ca -0.00 -0.60 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 2hiq s VAL 47 Cb -0.02 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2hiq s VAL 47 CO -0.00 0.46 0.81 0.26 0.00 0.00 0.00 175.10 176.63 2hiq s TRP 48 N 1.30 3.62 0.13 5.22 0.52 -1.26 -0.87 118.94 127.60 2hiq s TRP 48 Ca 0.04 1.44 0.09 0.00 0.02 0.00 0.00 56.10 57.69 2hiq s TRP 48 Cb -0.14 -2.92 -0.04 0.00 -1.15 0.00 0.00 33.47 29.21 2hiq s TRP 48 CO -0.04 0.07 -0.17 0.95 0.02 0.00 0.00 176.95 177.78 2hiq s THR 49 N 0.79 2.86 -0.08 2.01 -4.23 -0.59 -4.96 115.64 111.44 2hiq s THR 49 Ca 0.43 -1.57 -0.30 0.00 -1.18 0.00 0.00 61.69 59.08 2hiq s THR 49 Cb -0.19 -2.33 0.07 0.00 1.34 0.00 0.00 72.50 71.39 2hiq s THR 49 CO 0.22 0.05 0.67 -1.83 -0.54 0.00 0.00 174.62 173.20 2hiq s GLU 50 N -2.28 1.02 -0.31 3.99 -1.05 -1.26 -1.49 118.70 117.31 2hiq s GLU 50 Ca 0.19 0.34 -0.01 0.00 -0.15 0.00 0.00 54.97 55.35 2hiq s GLU 50 Cb -0.10 0.48 0.13 0.00 -0.44 0.00 0.00 34.13 34.20 2hiq s GLU 50 CO 0.11 -0.30 0.26 0.45 0.95 0.00 0.00 175.26 176.74 2hiq s SER 51 N -0.99 2.14 0.19 0.83 0.15 0.09 -4.96 113.70 111.16 2hiq s SER 51 Ca -0.10 -1.16 -0.09 0.00 0.70 0.00 0.00 55.95 55.31 2hiq s SER 51 Cb -0.01 0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.63 2hiq s SER 51 CO 0.09 -0.37 1.68 -0.08 1.20 0.00 0.00 173.24 175.76 2hiq h GLU 52 N 7.97 1.11 -0.00 5.44 4.81 -1.96 0.21 114.58 132.16 2hiq h GLU 52 Ca -0.10 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2hiq h GLU 52 Cb 1.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2hiq h GLU 52 CO 0.33 1.02 -0.24 1.57 -0.73 0.00 0.00 179.01 180.96 2hiq h LYS 53 N 1.03 0.00 -0.06 1.92 2.10 -1.95 -2.22 116.57 117.38 2hiq h LYS 53 Ca 0.20 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2hiq h LYS 53 Cb 0.46 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2hiq h LYS 53 CO 0.02 0.24 0.00 0.09 -2.00 0.00 0.00 179.45 177.80 2hiq n ASN 54 N -4.25 2.94 -3.62 7.07 3.02 -1.07 -4.99 115.26 114.36 2hiq n ASN 54 Ca -0.02 -1.94 -0.28 0.00 -0.03 0.00 0.00 54.58 52.31 2hiq n ASN 54 Cb 0.30 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.48 2hiq n ASN 54 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2hiq n HIS 55 N 1.29 -1.99 -4.00 3.10 8.25 0.60 -4.89 115.22 117.58 2hiq n HIS 55 Ca 0.14 0.57 -0.09 0.00 -0.26 0.00 0.00 57.72 58.08 2hiq n HIS 55 Cb 0.57 -3.66 -0.09 0.00 1.12 0.00 0.00 29.99 27.94 2hiq n HIS 55 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2hiq s GLU 56 N -5.73 0.84 0.24 -0.41 2.02 -0.45 -0.89 118.70 114.33 2hiq s GLU 56 Ca 0.41 -1.16 -0.21 0.00 0.02 0.00 0.00 54.97 54.02 2hiq s GLU 56 Cb -0.13 0.29 0.04 0.00 0.10 0.00 0.00 34.13 34.43 2hiq s GLU 56 CO 0.84 -0.24 0.67 0.00 0.02 0.00 0.00 175.26 176.54 2hiq s ALA 57 N -3.93 -1.31 0.00 5.21 0.00 -0.44 -0.73 121.76 120.56 2hiq s ALA 57 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2hiq s ALA 57 Cb 0.06 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2hiq s ALA 57 CO -0.06 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.16 2hiq n GLY 58 N -0.43 -0.65 3.55 0.00 0.00 -0.56 -0.44 105.19 106.66 2hiq n GLY 58 Ca -0.08 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 2hiq n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hiq s GLY 59 N 0.00 -0.37 -0.16 -0.02 0.00 0.04 -1.53 107.32 105.27 2hiq s GLY 59 Ca 0.00 1.34 -0.01 0.00 0.00 0.00 0.00 44.72 46.05 2hiq s GLY 59 CO 0.00 0.46 -0.12 -0.42 0.00 0.00 0.00 173.10 173.02 2hiq s ILE 60 N -2.71 2.91 0.16 0.90 -1.09 -0.05 -1.31 121.20 120.01 2hiq s ILE 60 Ca 0.07 -0.68 0.11 0.00 -2.23 0.00 0.00 60.65 57.91 2hiq s ILE 60 Cb -0.01 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.58 2hiq s ILE 60 CO -0.07 0.50 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.60 2hiq s TYR 61 N 0.86 2.37 -0.12 3.97 2.02 0.74 -0.68 117.35 126.51 2hiq s TYR 61 Ca -0.04 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 2hiq s TYR 61 Cb -0.15 -1.23 0.02 0.00 -0.40 0.00 0.00 41.96 40.20 2hiq s TYR 61 CO -0.00 0.42 -0.14 -1.17 -1.57 0.00 0.00 175.55 173.09 2hiq s LEU 62 N -2.37 1.68 0.21 -1.29 1.98 -0.59 -0.48 118.68 117.82 2hiq s LEU 62 Ca 0.18 -0.43 0.10 0.00 -2.89 0.00 0.00 54.13 51.09 2hiq s LEU 62 Cb -0.09 -1.09 -0.05 0.00 0.66 0.00 0.00 46.19 45.62 2hiq s LEU 62 CO 0.09 -0.01 -0.20 -0.36 -1.89 0.00 0.00 176.35 173.98 2hiq s PHE 63 N 1.14 2.11 0.40 5.38 0.08 0.09 -0.96 117.98 126.22 2hiq s PHE 63 Ca -0.03 -0.40 0.11 0.00 0.12 0.00 0.00 56.93 56.73 2hiq s PHE 63 Cb -0.14 -1.00 0.84 0.00 -0.57 0.00 0.00 43.02 42.14 2hiq s PHE 63 CO -0.04 0.50 1.92 1.15 -0.10 0.00 0.00 175.22 178.65 2hiq h THR 64 N 2.89 1.18 -3.58 0.64 2.02 -0.92 -0.62 112.91 114.52 2hiq h THR 64 Ca -0.43 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 65.89 2hiq h THR 64 Cb 1.22 1.33 -0.10 0.00 -1.74 0.00 0.00 68.15 68.85 2hiq h THR 64 CO 0.53 0.24 -0.12 1.51 0.37 0.00 0.00 175.52 178.06 2hiq s ASP 65 N -6.93 -0.12 0.16 4.18 1.47 -1.26 -3.41 116.67 110.77 2hiq s ASP 65 Ca -0.05 -0.73 -0.12 0.00 1.18 0.00 0.00 52.55 52.83 2hiq s ASP 65 Cb 0.15 0.54 0.05 0.00 -0.34 0.00 0.00 42.92 43.32 2hiq s ASP 65 CO 0.72 -1.03 1.68 -0.08 0.68 0.00 0.00 175.17 177.14 2hiq h GLU 66 N 2.32 0.85 -0.72 2.11 4.81 -1.93 -2.32 114.58 119.71 2hiq h GLU 66 Ca -0.29 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2hiq h GLU 66 Cb 1.25 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2hiq h GLU 66 CO 0.40 0.78 0.41 1.57 -0.73 0.00 0.00 179.01 181.44 2hiq h LYS 67 N 0.76 0.98 -0.55 1.92 2.10 -1.98 0.32 116.57 120.12 2hiq h LYS 67 Ca 0.18 -0.09 -0.09 0.00 -2.00 0.00 0.00 60.65 58.64 2hiq h LYS 67 Cb 0.29 -0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 2hiq h LYS 67 CO -0.00 0.70 -0.02 0.77 -2.00 0.00 0.00 179.45 178.89 2hiq h SER 68 N 0.99 0.97 -0.50 7.07 0.02 -1.86 0.81 113.55 121.05 2hiq h SER 68 Ca 0.26 -0.32 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2hiq h SER 68 Cb -0.01 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 2hiq h SER 68 CO -0.04 1.05 0.03 0.00 -1.14 0.00 0.00 176.83 176.73 2hiq h ALA 69 N 0.95 0.67 -0.14 3.77 0.00 -0.75 -2.07 119.26 121.69 2hiq h ALA 69 Ca 0.15 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 2hiq h ALA 69 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2hiq h ALA 69 CO 0.03 0.45 -0.55 -0.07 0.00 0.00 0.00 179.25 179.12 2hiq h LEU 70 N 0.73 0.46 -0.17 0.00 3.38 -0.26 -1.28 115.31 118.18 2hiq h LEU 70 Ca 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2hiq h LEU 70 Cb 0.48 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2hiq h LEU 70 CO 0.02 0.92 0.07 0.00 0.09 0.00 0.00 178.44 179.54 2hiq h ALA 71 N 1.09 0.22 -0.67 1.53 0.00 -0.69 -1.73 119.26 119.01 2hiq h ALA 71 Ca 0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2hiq h ALA 71 Cb 1.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2hiq h ALA 71 CO 0.09 -0.19 0.17 -0.92 0.00 0.00 0.00 179.25 178.41 2hiq h TYR 72 N 0.13 1.11 -0.73 0.00 5.03 -1.33 -2.19 116.97 118.99 2hiq h TYR 72 Ca 0.06 -0.13 0.05 0.00 2.58 0.00 0.00 58.73 61.29 2hiq h TYR 72 Cb 0.16 -0.32 -0.05 0.00 1.55 0.00 0.00 36.73 38.08 2hiq h TYR 72 CO -0.02 0.91 0.44 1.25 -1.32 0.00 0.00 178.16 179.43 2hiq h LEU 73 N 0.99 0.70 -0.17 2.82 5.85 -1.00 0.40 115.31 124.90 2hiq h LEU 73 Ca 0.21 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2hiq h LEU 73 Cb 0.35 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2hiq h LEU 73 CO 0.00 0.47 0.05 -0.08 -0.34 0.00 0.00 178.44 178.54 2hiq h GLU 74 N 0.84 0.26 -0.30 1.25 4.81 -1.08 -0.97 114.58 119.38 2hiq h GLU 74 Ca 0.31 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 2hiq h GLU 74 Cb 0.11 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2hiq h GLU 74 CO -0.15 0.38 0.12 -0.22 -0.73 0.00 0.00 179.01 178.42 2hiq h LYS 75 N 0.09 0.45 -0.23 1.92 3.64 -0.87 -2.85 116.57 118.71 2hiq h LYS 75 Ca 0.05 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2hiq h LYS 75 Cb 0.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2hiq h LYS 75 CO -0.00 0.46 -0.07 1.25 -2.27 0.00 0.00 179.45 178.82 2hiq h HIS 76 N 0.34 0.51 -0.32 1.91 2.76 -0.20 -2.06 115.15 118.10 2hiq h HIS 76 Ca 0.10 -0.12 0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2hiq h HIS 76 Cb 0.18 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 2hiq h HIS 76 CO -0.01 0.70 0.21 1.79 -1.30 0.00 0.00 177.93 179.32 2hiq h THR 77 N 0.18 1.07 -0.15 6.26 1.35 -1.21 -0.53 112.91 119.89 2hiq h THR 77 Ca 0.06 -0.14 -0.08 0.00 -0.55 0.00 0.00 66.41 65.70 2hiq h THR 77 Cb 0.54 0.62 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2hiq h THR 77 CO 0.03 0.07 -0.22 0.00 -0.25 0.00 0.00 175.52 175.15 2hiq h ALA 78 N 1.81 0.22 -0.62 6.62 0.00 -1.34 -3.22 119.26 122.73 2hiq h ALA 78 Ca 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2hiq h ALA 78 Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2hiq h ALA 78 CO -0.03 0.18 0.35 0.00 0.00 0.00 0.00 179.25 179.75 2hiq h ARG 79 N 0.02 0.86 0.00 0.00 3.08 -0.71 -2.45 114.38 115.17 2hiq h ARG 79 Ca 0.01 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2hiq h ARG 79 Cb 0.79 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 2hiq h ARG 79 CO 0.05 0.63 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.51 2hiq h LEU 80 N 0.87 0.00 -2.17 3.04 3.38 -1.13 -0.79 115.31 118.51 2hiq h LEU 80 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2hiq h LEU 80 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2hiq h LEU 80 CO -0.04 0.00 -0.04 0.11 0.09 0.00 0.00 178.44 178.57 2hiq h LYS 81 N 0.00 0.00 -0.19 1.13 1.57 -1.47 -0.40 116.57 117.20 2hiq h LYS 81 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2hiq h LYS 81 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2hiq h LYS 81 CO 0.00 0.04 -0.24 -0.91 -0.57 0.00 0.00 179.45 177.77 2hiq h ASN 82 N 0.00 0.35 -0.03 0.86 -0.26 -1.31 -0.72 115.58 114.47 2hiq h ASN 82 Ca -0.00 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 2hiq h ASN 82 Cb 0.08 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 2hiq h ASN 82 CO 0.00 0.60 0.00 0.18 -1.06 0.00 0.00 177.43 177.16 2hiq n LEU 83 N -4.15 0.31 0.00 1.61 4.77 -0.26 -4.86 117.00 114.42 2hiq n LEU 83 Ca -0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2hiq n LEU 83 Cb 0.38 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2hiq n LEU 83 CO 0.41 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2hiq n GLY 84 N 0.83 0.75 3.55 -0.72 0.00 -0.28 -4.98 105.19 104.35 2hiq n GLY 84 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2hiq n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hiq s VAL 85 N -2.65 3.71 -0.00 1.61 1.01 -0.60 -4.88 120.40 118.61 2hiq s VAL 85 Ca 0.00 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.96 2hiq s VAL 85 Cb 0.00 -4.84 -0.18 0.00 0.00 0.00 0.00 36.38 31.35 2hiq s VAL 85 CO 0.00 -1.78 1.30 -0.33 0.00 0.00 0.00 175.10 174.29 2hiq h GLU 86 N 10.43 0.11 -5.95 2.72 4.39 -1.89 -3.25 114.58 121.15 2hiq h GLU 86 Ca -0.21 -0.06 -0.52 0.00 0.34 0.00 0.00 59.36 58.91 2hiq h GLU 86 Cb 1.05 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.51 2hiq h GLU 86 CO 1.29 0.56 -0.80 -1.83 -1.16 0.00 0.00 179.01 177.08 2hiq s GLU 87 N -4.30 1.18 -0.01 2.33 1.03 -1.26 -4.98 118.70 112.68 2hiq s GLU 87 Ca -0.15 -1.29 0.03 0.00 0.03 0.00 0.00 54.97 53.59 2hiq s GLU 87 Cb 0.03 -1.29 -0.01 0.00 -0.80 0.00 0.00 34.13 32.06 2hiq s GLU 87 CO 0.70 0.28 -0.10 0.08 -1.33 0.00 0.00 175.26 174.88 2hiq s VAL 88 N -1.71 0.84 -0.45 1.83 1.01 -1.26 -4.61 120.40 116.05 2hiq s VAL 88 Ca 0.11 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 2hiq s VAL 88 Cb -0.07 -0.72 0.04 0.00 0.00 0.00 0.00 36.38 35.63 2hiq s VAL 88 CO 0.05 0.24 0.43 -0.69 0.00 0.00 0.00 175.10 175.14 2hiq s VAL 89 N -0.14 5.13 0.12 2.92 1.01 -0.58 -5.00 120.40 123.85 2hiq s VAL 89 Ca 0.02 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.45 2hiq s VAL 89 Cb -0.05 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2hiq s VAL 89 CO -0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 175.10 174.34 2hiq s ALA 90 N 1.98 2.15 -0.04 5.51 0.00 -1.26 -2.31 121.76 127.79 2hiq s ALA 90 Ca 0.09 -1.38 -0.03 0.00 0.00 0.00 0.00 51.96 50.65 2hiq s ALA 90 Cb -0.20 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.61 2hiq s ALA 90 CO 0.10 0.47 0.09 0.15 0.00 0.00 0.00 175.76 176.57 2hiq s LYS 91 N -1.99 0.08 -0.15 0.00 -0.14 -0.46 -5.01 119.74 112.08 2hiq s LYS 91 Ca 0.11 0.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.89 2hiq s LYS 91 Cb -0.10 -0.03 -0.01 0.00 -1.68 0.00 0.00 37.83 36.01 2hiq s LYS 91 CO 0.05 -0.06 -0.14 0.08 -0.76 0.00 0.00 175.35 174.52 2hiq s VAL 92 N 0.39 2.84 0.11 3.17 1.01 -1.26 -1.16 120.40 125.49 2hiq s VAL 92 Ca -0.03 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.27 2hiq s VAL 92 Cb -0.04 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2hiq s VAL 92 CO -0.01 0.52 -0.10 -0.36 0.00 0.00 0.00 175.10 175.14 2hiq s PHE 93 N 0.64 1.08 0.40 5.22 0.08 -0.01 -4.99 117.98 120.40 2hiq s PHE 93 Ca -0.08 -0.72 -0.05 0.00 0.12 0.00 0.00 56.93 56.21 2hiq s PHE 93 Cb -0.16 -0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 2hiq s PHE 93 CO 0.03 -0.00 0.69 -0.51 -0.10 0.00 0.00 175.22 175.32 2hiq s ASP 94 N -2.70 6.34 -0.11 1.36 1.01 -1.26 -0.16 116.67 121.15 2hiq s ASP 94 Ca 0.09 0.80 -0.02 0.00 0.71 0.00 0.00 52.55 54.13 2hiq s ASP 94 Cb -0.00 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 2hiq s ASP 94 CO -0.01 -0.42 -0.04 -0.69 0.21 0.00 0.00 175.17 174.23 2hiq s VAL 95 N -2.47 3.94 -0.55 -1.27 1.01 -1.17 -4.79 120.40 115.10 2hiq s VAL 95 Ca 0.45 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.85 2hiq s VAL 95 Cb -0.10 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.65 2hiq s VAL 95 CO 0.38 0.55 0.84 0.21 0.00 0.00 0.00 175.10 177.09 2hiq s ASN 96 N -0.29 6.28 0.10 3.32 2.47 -1.26 -4.92 114.94 120.64 2hiq s ASN 96 Ca 0.05 -0.61 -0.21 0.00 0.42 0.00 0.00 52.86 52.51 2hiq s ASN 96 Cb -0.13 -2.39 -0.10 0.00 -1.45 0.00 0.00 41.25 37.19 2hiq s ASN 96 CO 0.02 -1.15 1.70 -0.33 -3.72 0.00 0.00 177.10 173.63 2hiq h GLU 97 N 9.24 0.19 -0.02 0.43 4.39 -1.98 -2.13 114.58 124.70 2hiq h GLU 97 Ca -0.27 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.44 2hiq h GLU 97 Cb 1.08 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.64 2hiq h GLU 97 CO 1.06 0.19 -0.35 -1.35 -1.16 0.00 0.00 179.01 177.40 2hiq h PRO 98 N 0.13 -0.48 -0.68 2.33 0.11 -2.00 0.32 132.00 131.74 2hiq h PRO 98 Ca 0.05 0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 2hiq h PRO 98 Cb 0.06 0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 2hiq h PRO 98 CO -0.01 -0.32 0.19 -0.07 -0.21 0.00 0.00 178.00 177.58 2hiq h LEU 99 N -0.50 0.99 -0.97 2.35 3.38 -2.00 -2.46 115.31 116.11 2hiq h LEU 99 Ca 0.06 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2hiq h LEU 99 Cb 0.59 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2hiq h LEU 99 CO -0.29 0.94 0.24 0.28 0.09 0.00 0.00 178.44 179.70 2hiq h SER 100 N 1.01 0.91 -0.44 -0.43 0.02 -1.01 -2.19 113.55 111.42 2hiq h SER 100 Ca 0.22 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 2hiq h SER 100 Cb 0.32 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2hiq h SER 100 CO -0.00 0.83 0.03 1.56 -1.14 0.00 0.00 176.83 178.10 2hiq h GLN 101 N 0.96 0.83 -0.86 3.45 4.20 -0.61 -2.44 115.11 120.64 2hiq h GLN 101 Ca 0.22 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2hiq h GLN 101 Cb 0.22 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 2hiq h GLN 101 CO -0.02 0.81 0.49 0.82 -0.67 0.00 0.00 178.83 180.26 2hiq h ILE 102 N 0.78 1.25 -0.99 2.54 2.04 -0.96 -3.09 117.51 119.08 2hiq h ILE 102 Ca 0.15 -0.59 -0.56 0.00 1.00 0.00 0.00 64.86 64.86 2hiq h ILE 102 Cb 0.43 0.06 -0.23 0.00 -0.74 0.00 0.00 36.82 36.34 2hiq h ILE 102 CO 0.02 0.27 0.71 0.59 0.00 0.00 0.00 178.15 179.73 2hiq n ASN 103 N -4.35 7.17 0.00 1.72 3.02 -0.92 -5.13 115.26 116.77 2hiq n ASN 103 Ca 0.09 -3.51 0.00 0.00 -0.03 0.00 0.00 54.58 51.13 2hiq n ASN 103 Cb 0.09 -1.05 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 2hiq n ASN 103 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64