#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 1.93 -0.14 0.00 2.01 0.04 -1.81 115.64 117.67 2hiq s THR 10 Ca 0.00 -1.00 -0.03 0.00 0.31 0.00 0.00 61.69 60.97 2hiq s THR 10 Cb 0.00 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 2hiq s THR 10 CO 0.00 0.54 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.21 2hiq s LEU 11 N -0.11 3.24 -0.18 4.42 0.20 0.47 -0.47 118.68 126.25 2hiq s LEU 11 Ca -0.04 -0.11 -0.03 0.00 0.69 0.00 0.00 54.13 54.63 2hiq s LEU 11 Cb -0.13 -1.77 -0.02 0.00 -0.43 0.00 0.00 46.19 43.84 2hiq s LEU 11 CO 0.04 0.19 -0.05 -0.22 -0.29 0.00 0.00 176.35 176.02 2hiq s LEU 12 N 0.22 3.03 -0.11 -0.68 2.96 0.15 -1.23 118.68 123.01 2hiq s LEU 12 Ca -0.03 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 2hiq s LEU 12 Cb -0.14 -1.75 -0.00 0.00 0.50 0.00 0.00 46.19 44.80 2hiq s LEU 12 CO 0.03 0.08 -0.21 0.00 -1.32 0.00 0.00 176.35 174.92 2hiq s GLN 13 N 0.91 3.13 0.01 1.98 -2.07 -0.71 0.47 119.66 123.37 2hiq s GLN 13 Ca -0.01 -0.83 -0.01 0.00 -1.82 0.00 0.00 55.36 52.70 2hiq s GLN 13 Cb -0.15 -2.39 -0.01 0.00 -1.09 0.00 0.00 33.01 29.37 2hiq s GLN 13 CO 0.01 0.17 0.01 -0.51 -1.32 0.00 0.00 175.29 173.65 2hiq s LEU 14 N 0.39 2.04 0.20 2.60 1.02 -0.34 -1.43 118.68 123.15 2hiq s LEU 14 Ca -0.16 -0.22 -0.16 0.00 0.02 0.00 0.00 54.13 53.61 2hiq s LEU 14 Cb -0.17 0.12 0.02 0.00 0.02 0.00 0.00 46.19 46.18 2hiq s LEU 14 CO 0.07 -0.16 0.49 -1.38 0.02 0.00 0.00 176.35 175.39 2hiq s HIS 15 N -0.75 -0.03 0.03 0.29 -3.43 -0.71 -0.44 115.29 110.26 2hiq s HIS 15 Ca -0.08 -0.32 -0.28 0.00 -0.80 0.00 0.00 55.06 53.57 2hiq s HIS 15 Cb -0.05 0.33 0.09 0.00 -1.43 0.00 0.00 32.58 31.52 2hiq s HIS 15 CO -0.00 -0.90 1.04 -0.59 -2.00 0.00 0.00 174.74 172.29 2hiq s PHE 16 N -3.89 -0.17 0.29 0.38 -0.12 0.93 -1.69 117.98 113.72 2hiq s PHE 16 Ca 0.11 -0.02 -0.29 0.00 -0.05 0.00 0.00 56.93 56.67 2hiq s PHE 16 Cb -0.01 0.58 -0.10 0.00 -0.63 0.00 0.00 43.02 42.86 2hiq s PHE 16 CO -0.02 -0.56 1.43 0.00 -0.05 0.00 0.00 175.22 176.02 2hiq s ALA 17 N -2.95 3.60 -0.19 1.99 0.00 -1.26 -1.09 121.76 121.85 2hiq s ALA 17 Ca 0.10 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.29 2hiq s ALA 17 Cb 0.00 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.62 2hiq s ALA 17 CO -0.03 -0.78 0.48 0.12 0.00 0.00 0.00 175.76 175.55 2hiq s PHE 18 N -0.44 -0.62 -0.19 0.00 5.36 -0.39 -4.76 117.98 116.94 2hiq s PHE 18 Ca 0.56 1.39 0.16 0.00 -0.96 0.00 0.00 56.93 58.08 2hiq s PHE 18 Cb -0.42 0.27 0.56 0.00 -0.34 0.00 0.00 43.02 43.09 2hiq s PHE 18 CO 0.49 -0.32 1.47 0.09 -1.46 0.00 0.00 175.22 175.49 2hiq n ASN 19 N 3.55 4.03 0.00 6.13 5.03 -1.26 -3.13 115.26 129.61 2hiq n ASN 19 Ca -0.18 -3.05 0.00 0.00 0.87 0.00 0.00 54.58 52.22 2hiq n ASN 19 Cb 0.56 -0.57 0.00 0.00 -1.02 0.00 0.00 39.78 38.75 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 -0.42 1.37 3.75 7.41 0.00 -1.26 -4.93 105.19 111.10 2hiq n GLY 20 Ca 0.23 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 2hiq n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hiq s PRO 21 N -1.60 1.71 0.38 1.61 0.04 -1.26 -5.11 135.00 130.77 2hiq s PRO 21 Ca 0.00 0.88 0.04 0.00 0.04 0.00 0.00 61.00 61.96 2hiq s PRO 21 Cb 0.00 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 2hiq s PRO 21 CO 0.00 -1.94 0.05 -0.06 0.04 0.00 0.00 177.00 175.09 2hiq s PHE 22 N -2.97 2.06 0.00 0.56 0.08 -1.26 -4.35 117.98 112.10 2hiq s PHE 22 Ca 0.62 -0.94 0.00 0.00 0.12 0.00 0.00 56.93 56.73 2hiq s PHE 22 Cb -0.17 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.86 2hiq s PHE 22 CO 0.56 0.09 0.00 0.41 -0.10 0.00 0.00 175.22 176.18 2hiq n GLY 23 N -0.86 1.77 0.31 4.36 0.00 -1.26 -2.45 105.19 107.06 2hiq n GLY 23 Ca -0.06 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 8.54 0.00 -0.12 1.61 3.32 -1.99 0.33 116.42 128.11 2hiq h ASP 24 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2hiq h ASP 24 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2hiq h ASP 24 CO 0.00 0.00 -0.32 0.00 -1.72 0.00 0.00 179.24 177.20 2hiq h ALA 25 N 1.89 0.91 -0.31 3.45 0.00 -1.89 -1.86 119.26 121.45 2hiq h ALA 25 Ca 0.06 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 2hiq h ALA 25 Cb 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2hiq h ALA 25 CO -0.00 0.62 -0.35 1.98 0.00 0.00 0.00 179.25 181.50 2hiq h MET 26 N 0.52 0.79 -0.78 0.00 1.85 -0.62 -1.63 114.93 115.07 2hiq h MET 26 Ca 0.06 -0.43 0.00 0.00 -0.61 0.00 0.00 59.70 58.72 2hiq h MET 26 Cb 0.80 0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.82 2hiq h MET 26 CO 0.07 1.06 0.49 0.00 -0.40 0.00 0.00 176.91 178.13 2hiq h ALA 27 N 0.72 1.41 -0.15 0.39 0.00 -1.19 0.21 119.26 120.64 2hiq h ALA 27 Ca 0.04 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2hiq h ALA 27 Cb 0.94 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2hiq h ALA 27 CO 0.09 0.53 -0.43 1.49 0.00 0.00 0.00 179.25 180.92 2hiq h GLU 28 N 1.06 0.56 -0.23 0.00 4.81 -1.23 -2.57 114.58 116.99 2hiq h GLU 28 Ca 0.28 -0.40 -0.15 0.00 -0.13 0.00 0.00 59.36 58.96 2hiq h GLU 28 Cb -0.09 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2hiq h GLU 28 CO -0.06 1.02 -0.46 0.37 -0.73 0.00 0.00 179.01 179.16 2hiq h GLN 29 N 0.20 0.71 -0.59 1.92 5.75 -0.94 -3.28 115.11 118.88 2hiq h GLN 29 Ca -0.01 -0.46 0.00 0.00 -0.15 0.00 0.00 58.65 58.03 2hiq h GLN 29 Cb 1.05 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.66 2hiq h GLN 29 CO 0.09 1.08 0.00 1.28 -2.65 0.00 0.00 178.83 178.64 2hiq n LEU 30 N -4.16 3.24 -0.17 -2.39 4.77 0.70 -4.47 117.00 114.52 2hiq n LEU 30 Ca -0.05 -1.62 -0.02 0.00 -0.03 0.00 0.00 56.01 54.28 2hiq n LEU 30 Cb 0.57 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 2hiq n LEU 30 CO 0.47 0.75 0.96 0.50 -1.33 0.00 0.00 177.39 178.74 2hiq h LYS 31 N 3.35 0.33 -0.78 3.23 3.64 -1.52 -0.61 116.57 124.21 2hiq h LYS 31 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2hiq h LYS 31 Cb 0.85 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 2hiq h LYS 31 CO 0.04 0.22 0.46 -1.35 -2.27 0.00 0.00 179.45 176.54 2hiq h PRO 32 N 0.34 1.06 -0.41 1.90 0.11 -1.85 -1.13 132.00 132.02 2hiq h PRO 32 Ca 0.26 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 2hiq h PRO 32 Cb 0.31 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 2hiq h PRO 32 CO -0.28 0.76 0.14 1.25 -0.21 0.00 0.00 178.00 179.66 2hiq h LEU 33 N 1.08 0.59 -0.59 2.35 5.85 -1.64 -2.28 115.31 120.66 2hiq h LEU 33 Ca 0.28 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2hiq h LEU 33 Cb -0.02 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2hiq h LEU 33 CO -0.05 0.62 0.37 0.00 -0.34 0.00 0.00 178.44 179.04 2hiq h ALA 34 N 0.99 0.76 -0.31 1.25 0.00 -0.51 -2.35 119.26 119.08 2hiq h ALA 34 Ca 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2hiq h ALA 34 Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2hiq h ALA 34 CO -0.01 0.23 0.04 0.93 0.00 0.00 0.00 179.25 180.44 2hiq h GLU 35 N 0.80 0.46 0.00 0.00 5.08 -1.07 -2.54 114.58 117.31 2hiq h GLU 35 Ca 0.21 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 2hiq h GLU 35 Cb -0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2hiq h GLU 35 CO -0.04 0.46 -0.44 0.66 -1.00 0.00 0.00 179.01 178.65 2hiq h SER 36 N 0.45 0.00 0.01 1.42 4.64 -0.88 -2.68 113.55 116.51 2hiq h SER 36 Ca 0.10 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 2hiq h SER 36 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2hiq h SER 36 CO 0.00 0.44 -0.15 0.40 -0.87 0.00 0.00 176.83 176.65 2hiq h ILE 37 N 0.00 1.19 0.00 0.95 2.04 -1.15 -2.07 117.51 118.47 2hiq h ILE 37 Ca -0.00 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2hiq h ILE 37 Cb 0.84 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2hiq h ILE 37 CO 0.06 0.27 0.00 0.78 0.00 0.00 0.00 178.15 179.26 2hiq h ASN 38 N 0.26 0.00 -0.13 1.72 2.35 -1.48 -1.38 115.58 116.92 2hiq h ASN 38 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2hiq h ASN 38 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2hiq h ASN 38 CO 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 2hiq n GLN 39 N -2.87 1.87 -2.73 0.81 1.13 -0.78 -4.92 117.38 109.90 2hiq n GLN 39 Ca -0.02 -1.29 -0.42 0.00 -1.94 0.00 0.00 57.00 53.34 2hiq n GLN 39 Cb 0.12 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 28.99 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 -1.84 4.58 0.29 -1.09 0.41 -0.52 -5.01 118.70 115.52 2hiq s GLU 40 Ca 0.34 1.40 -0.29 0.00 -0.41 0.00 0.00 54.97 56.01 2hiq s GLU 40 Cb 0.20 -3.44 -0.11 0.00 -1.78 0.00 0.00 34.13 29.00 2hiq s GLU 40 CO 0.30 0.01 1.46 -1.25 -0.49 0.00 0.00 175.26 175.28 2hiq s PRO 41 N 0.80 4.22 0.00 0.39 0.04 -1.26 -2.33 135.00 136.87 2hiq s PRO 41 Ca 0.50 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2hiq s PRO 41 Cb -0.21 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2hiq s PRO 41 CO 0.28 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.28 2hiq n GLY 42 N 1.67 2.28 3.72 0.56 0.00 -1.26 -4.85 105.19 107.31 2hiq n GLY 42 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.96 3.51 -0.08 1.61 5.36 -0.98 -0.26 117.98 124.17 2hiq s PHE 43 Ca 0.00 1.45 -0.08 0.00 -0.96 0.00 0.00 56.93 57.34 2hiq s PHE 43 Cb 0.00 -3.35 -0.04 0.00 -0.34 0.00 0.00 43.02 39.29 2hiq s PHE 43 CO 0.00 -0.94 -0.18 1.28 -1.46 0.00 0.00 175.22 173.92 2hiq n LEU 44 N 3.22 1.32 -3.65 6.12 4.77 -0.14 -4.92 117.00 123.72 2hiq n LEU 44 Ca 0.06 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 2hiq n LEU 44 Cb 0.46 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2hiq n LEU 44 CO 0.55 -0.20 0.45 -1.66 -1.33 0.00 0.00 177.39 175.20 2hiq s TRP 45 N -2.38 -0.35 -0.05 -1.77 1.48 -1.19 -5.00 118.94 109.68 2hiq s TRP 45 Ca -0.17 0.02 -0.05 0.00 -1.06 0.00 0.00 56.10 54.85 2hiq s TRP 45 Cb 0.04 0.63 0.01 0.00 -1.16 0.00 0.00 33.47 33.00 2hiq s TRP 45 CO 0.23 -1.03 0.13 0.21 -4.06 0.00 0.00 176.95 172.43 2hiq s LYS 46 N -3.80 0.15 -0.22 3.25 2.36 -1.26 -1.42 119.74 118.79 2hiq s LYS 46 Ca 0.06 0.18 -0.04 0.00 -2.55 0.00 0.00 55.97 53.62 2hiq s LYS 46 Cb -0.03 0.07 -0.01 0.00 -1.05 0.00 0.00 37.83 36.80 2hiq s LYS 46 CO -0.03 -0.02 -0.03 0.08 1.55 0.00 0.00 175.35 176.91 2hiq s VAL 47 N 0.09 3.52 -0.10 4.02 1.01 0.04 -4.96 120.40 124.03 2hiq s VAL 47 Ca -0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 2hiq s VAL 47 Cb -0.01 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 2hiq s VAL 47 CO 0.00 0.41 0.84 0.26 0.00 0.00 0.00 175.10 176.61 2hiq s TRP 48 N 1.49 3.52 0.10 5.22 0.52 -1.26 -1.10 118.94 127.43 2hiq s TRP 48 Ca 0.06 1.38 0.06 0.00 0.02 0.00 0.00 56.10 57.61 2hiq s TRP 48 Cb -0.14 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.14 2hiq s TRP 48 CO -0.02 -0.10 -0.05 0.95 0.02 0.00 0.00 176.95 177.75 2hiq s THR 49 N 1.53 3.67 0.01 2.01 -4.23 -0.71 -4.96 115.64 112.95 2hiq s THR 49 Ca 0.42 -1.15 -0.24 0.00 -1.18 0.00 0.00 61.69 59.54 2hiq s THR 49 Cb -0.18 -2.74 0.05 0.00 1.34 0.00 0.00 72.50 70.98 2hiq s THR 49 CO 0.18 0.11 0.55 -1.83 -0.54 0.00 0.00 174.62 173.08 2hiq s GLU 50 N -2.28 1.00 -0.35 3.99 -1.05 -1.26 -1.48 118.70 117.28 2hiq s GLU 50 Ca 0.24 -0.07 0.03 0.00 -0.15 0.00 0.00 54.97 55.01 2hiq s GLU 50 Cb -0.11 0.46 0.16 0.00 -0.44 0.00 0.00 34.13 34.20 2hiq s GLU 50 CO 0.16 -0.34 0.40 0.45 0.95 0.00 0.00 175.26 176.88 2hiq s SER 51 N -1.65 0.79 0.30 0.83 0.15 0.63 -4.96 113.70 109.78 2hiq s SER 51 Ca -0.08 -1.16 -0.01 0.00 0.70 0.00 0.00 55.95 55.40 2hiq s SER 51 Cb -0.01 0.81 0.45 0.00 -1.71 0.00 0.00 66.02 65.56 2hiq s SER 51 CO 0.03 -0.28 1.91 -0.08 1.20 0.00 0.00 173.24 176.01 2hiq h GLU 52 N 7.42 0.94 -0.63 5.44 4.81 -1.94 0.18 114.58 130.81 2hiq h GLU 52 Ca -0.00 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2hiq h GLU 52 Cb 1.08 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.23 2hiq h GLU 52 CO 0.22 0.71 0.35 -0.22 -0.73 0.00 0.00 179.01 179.34 2hiq h LYS 53 N 0.94 0.64 -0.31 1.92 3.64 -1.94 -2.50 116.57 118.96 2hiq h LYS 53 Ca 0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2hiq h LYS 53 Cb 0.07 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2hiq h LYS 53 CO -0.03 0.42 0.00 0.09 -2.27 0.00 0.00 179.45 177.66 2hiq n ASN 54 N -4.80 3.38 -3.41 4.20 3.02 -1.01 -4.98 115.26 111.66 2hiq n ASN 54 Ca 0.07 -2.00 -0.20 0.00 -0.03 0.00 0.00 54.58 52.42 2hiq n ASN 54 Cb 0.15 -0.20 0.05 0.00 -0.61 0.00 0.00 39.78 39.18 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 1.48 -2.29 -3.72 3.10 8.25 0.54 -4.89 115.22 117.68 2hiq n HIS 55 Ca 0.18 0.73 -0.11 0.00 -0.26 0.00 0.00 57.72 58.26 2hiq n HIS 55 Cb 0.61 -3.82 -0.07 0.00 1.12 0.00 0.00 29.99 27.84 2hiq n HIS 55 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2hiq s GLU 56 N -4.88 0.88 0.24 -0.41 -1.05 -0.61 -1.26 118.70 111.63 2hiq s GLU 56 Ca 0.41 -0.56 -0.13 0.00 -0.15 0.00 0.00 54.97 54.54 2hiq s GLU 56 Cb -0.09 0.38 -0.00 0.00 -0.44 0.00 0.00 34.13 33.97 2hiq s GLU 56 CO 0.79 -0.30 0.47 0.00 0.95 0.00 0.00 175.26 177.17 2hiq s ALA 57 N -2.89 -0.25 0.00 -0.84 0.00 -0.25 -0.27 121.76 117.26 2hiq s ALA 57 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2hiq s ALA 57 Cb 0.00 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.18 2hiq s ALA 57 CO -0.05 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.27 2hiq n GLY 58 N -0.37 -0.69 3.58 0.00 0.00 -0.55 -0.05 105.19 107.11 2hiq n GLY 58 Ca -0.02 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.27 -0.19 -0.02 0.00 0.41 -1.74 107.32 105.51 2hiq s GLY 59 Ca 0.00 1.74 -0.03 0.00 0.00 0.00 0.00 44.72 46.43 2hiq s GLY 59 CO 0.00 0.69 -0.06 -0.42 0.00 0.00 0.00 173.10 173.30 2hiq s ILE 60 N -2.07 3.35 -0.00 0.90 -1.09 -0.25 -1.20 121.20 120.83 2hiq s ILE 60 Ca 0.06 -0.52 0.08 0.00 -2.23 0.00 0.00 60.65 58.04 2hiq s ILE 60 Cb -0.01 -2.49 -0.02 0.00 -1.58 0.00 0.00 42.46 38.36 2hiq s ILE 60 CO -0.05 0.46 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.57 2hiq s TYR 61 N 1.05 2.38 -0.18 3.97 2.02 0.18 -0.78 117.35 125.99 2hiq s TYR 61 Ca 0.00 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2hiq s TYR 61 Cb -0.15 -1.49 -0.01 0.00 -0.40 0.00 0.00 41.96 39.92 2hiq s TYR 61 CO -0.00 0.04 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.75 2hiq s LEU 62 N -0.81 2.79 0.19 -1.29 2.96 -0.51 0.35 118.68 122.36 2hiq s LEU 62 Ca 0.11 -0.37 0.11 0.00 -0.22 0.00 0.00 54.13 53.76 2hiq s LEU 62 Cb -0.10 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2hiq s LEU 62 CO 0.00 0.07 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.52 2hiq s PHE 63 N 0.94 2.34 0.34 5.38 0.08 0.38 -0.97 117.98 126.47 2hiq s PHE 63 Ca -0.01 -0.34 0.07 0.00 0.12 0.00 0.00 56.93 56.76 2hiq s PHE 63 Cb -0.15 -1.16 0.61 0.00 -0.57 0.00 0.00 43.02 41.76 2hiq s PHE 63 CO -0.00 0.50 1.82 0.00 -0.10 0.00 0.00 175.22 177.44 2hiq h THR 64 N 3.15 1.23 -3.90 0.64 1.03 -0.91 0.16 112.91 114.31 2hiq h THR 64 Ca -0.46 -1.07 -0.11 0.00 -0.01 0.00 0.00 66.41 64.76 2hiq h THR 64 Cb 1.21 1.33 -0.12 0.00 -1.07 0.00 0.00 68.15 69.50 2hiq h THR 64 CO 0.49 0.33 -0.32 1.51 -0.01 0.00 0.00 175.52 177.51 2hiq s ASP 65 N -6.85 0.04 0.19 0.00 -4.77 -1.26 -4.34 116.67 99.68 2hiq s ASP 65 Ca -0.06 -0.89 -0.08 0.00 -3.30 0.00 0.00 52.55 48.22 2hiq s ASP 65 Cb 0.15 0.44 0.09 0.00 -1.09 0.00 0.00 42.92 42.50 2hiq s ASP 65 CO 0.76 -0.90 1.63 -0.08 0.70 0.00 0.00 175.17 177.27 2hiq h GLU 66 N 2.54 1.01 -0.69 2.11 4.81 -1.93 -2.78 114.58 119.65 2hiq h GLU 66 Ca -0.32 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 58.58 2hiq h GLU 66 Cb 1.23 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2hiq h GLU 66 CO 0.48 1.04 0.44 -0.22 -0.73 0.00 0.00 179.01 180.01 2hiq h LYS 67 N 0.91 0.84 -0.72 1.92 3.64 -1.99 0.44 116.57 121.61 2hiq h LYS 67 Ca 0.15 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2hiq h LYS 67 Cb 0.63 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2hiq h LYS 67 CO 0.04 0.56 0.24 0.77 -2.27 0.00 0.00 179.45 178.79 2hiq h SER 68 N 0.87 1.04 -0.42 4.20 0.02 -1.87 -2.12 113.55 115.27 2hiq h SER 68 Ca 0.27 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 2hiq h SER 68 Cb -0.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 2hiq h SER 68 CO -0.09 0.97 -0.09 0.00 -1.14 0.00 0.00 176.83 176.47 2hiq h ALA 69 N 1.12 0.58 -0.37 3.77 0.00 -1.10 -2.48 119.26 120.78 2hiq h ALA 69 Ca 0.24 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2hiq h ALA 69 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2hiq h ALA 69 CO -0.01 0.46 -0.24 -0.07 0.00 0.00 0.00 179.25 179.39 2hiq h LEU 70 N 0.64 0.76 -0.54 0.00 3.38 -0.83 -1.19 115.31 117.53 2hiq h LEU 70 Ca 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2hiq h LEU 70 Cb 0.62 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2hiq h LEU 70 CO 0.04 0.97 0.22 0.00 0.09 0.00 0.00 178.44 179.76 2hiq h ALA 71 N 1.09 0.70 -0.45 1.53 0.00 -1.32 -1.67 119.26 119.14 2hiq h ALA 71 Ca 0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2hiq h ALA 71 Cb 0.74 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2hiq h ALA 71 CO 0.06 0.31 0.05 -0.92 0.00 0.00 0.00 179.25 178.74 2hiq h TYR 72 N 0.73 0.82 -0.16 0.00 3.20 -1.29 -2.36 116.97 117.90 2hiq h TYR 72 Ca 0.18 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 61.95 2hiq h TYR 72 Cb 0.20 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2hiq h TYR 72 CO 0.01 0.78 -0.00 1.25 -1.64 0.00 0.00 178.16 178.55 2hiq h LEU 73 N 0.62 -0.07 -0.34 2.82 5.85 -0.96 0.34 115.31 123.57 2hiq h LEU 73 Ca 0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2hiq h LEU 73 Cb 0.43 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2hiq h LEU 73 CO 0.01 -0.01 0.22 -0.08 -0.34 0.00 0.00 178.44 178.24 2hiq h GLU 74 N 0.05 0.45 -0.42 1.25 4.81 -1.28 0.03 114.58 119.45 2hiq h GLU 74 Ca 0.08 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2hiq h GLU 74 Cb 0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2hiq h GLU 74 CO -0.13 0.31 0.16 -0.22 -0.73 0.00 0.00 179.01 178.39 2hiq h LYS 75 N 0.45 0.64 -0.18 1.92 3.64 -1.05 -2.58 116.57 119.41 2hiq h LYS 75 Ca 0.12 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2hiq h LYS 75 Cb -0.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2hiq h LYS 75 CO -0.03 0.61 -0.31 1.25 -2.27 0.00 0.00 179.45 178.70 2hiq h HIS 76 N 0.54 0.40 -0.81 1.91 2.76 -0.15 -1.18 115.15 118.62 2hiq h HIS 76 Ca 0.14 -0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.18 2hiq h HIS 76 Cb 0.22 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 2hiq h HIS 76 CO 0.00 0.63 0.35 1.15 -1.30 0.00 0.00 177.93 178.77 2hiq h THR 77 N 0.31 1.26 -0.15 6.26 2.02 -0.83 0.19 112.91 121.97 2hiq h THR 77 Ca 0.04 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 2hiq h THR 77 Cb 0.70 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2hiq h THR 77 CO 0.05 0.33 -0.00 0.00 0.37 0.00 0.00 175.52 176.27 2hiq h ALA 78 N 1.19 0.20 -0.88 6.16 0.00 -1.06 -3.07 119.26 121.80 2hiq h ALA 78 Ca 0.27 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2hiq h ALA 78 Cb 0.18 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2hiq h ALA 78 CO -0.03 -0.09 0.56 -0.09 0.00 0.00 0.00 179.25 179.60 2hiq h ARG 79 N -0.00 1.02 -0.28 0.00 2.43 -0.87 -1.80 114.38 114.88 2hiq h ARG 79 Ca 0.04 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2hiq h ARG 79 Cb 0.38 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2hiq h ARG 79 CO 0.01 0.68 0.22 -0.07 -1.51 0.00 0.00 179.97 179.29 2hiq h LEU 80 N 1.05 0.00 -1.91 3.80 4.07 -0.54 0.11 115.31 121.89 2hiq h LEU 80 Ca 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.31 2hiq h LEU 80 Cb 0.09 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 2hiq h LEU 80 CO -0.15 0.00 -0.10 0.11 -1.08 0.00 0.00 178.44 177.22 2hiq h LYS 81 N 0.00 0.00 0.00 1.13 1.57 -1.28 -0.26 116.57 117.73 2hiq h LYS 81 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2hiq h LYS 81 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2hiq h LYS 81 CO -0.00 0.10 0.00 0.09 -0.57 0.00 0.00 179.45 179.07 2hiq n ASN 82 N -4.13 0.00 -0.79 0.86 3.02 0.37 -1.38 115.26 113.21 2hiq n ASN 82 Ca -0.03 0.18 0.07 0.00 -0.03 0.00 0.00 54.58 54.77 2hiq n ASN 82 Cb 0.19 -0.36 0.19 0.00 -0.61 0.00 0.00 39.78 39.18 2hiq n ASN 82 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2hiq n LEU 83 N -1.36 3.15 0.00 3.41 4.32 -0.20 -4.95 117.00 121.37 2hiq n LEU 83 Ca 0.08 -2.00 0.00 0.00 -0.02 0.00 0.00 56.01 54.06 2hiq n LEU 83 Cb 0.19 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 2hiq n LEU 83 CO 0.17 0.78 0.00 0.61 -1.22 0.00 0.00 177.39 177.73 2hiq n GLY 84 N 0.74 0.75 3.62 -0.72 0.00 -0.48 -5.03 105.19 104.08 2hiq n GLY 84 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.62 4.48 -0.09 1.61 1.01 -0.67 -4.90 120.40 119.21 2hiq s VAL 85 Ca 0.00 1.44 0.15 0.00 0.00 0.00 0.00 61.98 63.57 2hiq s VAL 85 Cb 0.00 -4.42 -0.22 0.00 0.00 0.00 0.00 36.38 31.74 2hiq s VAL 85 CO 0.00 -0.60 0.56 -0.62 0.00 0.00 0.00 175.10 174.44 2hiq n GLU 86 N 7.03 0.64 -4.66 2.72 1.02 -1.26 -3.51 120.64 122.61 2hiq n GLU 86 Ca 0.10 0.20 -0.24 0.00 -0.02 0.00 0.00 57.16 57.20 2hiq n GLU 86 Cb 0.48 -1.73 -0.16 0.00 -0.02 0.00 0.00 31.44 30.01 2hiq n GLU 86 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2hiq s GLU 87 N -2.67 1.54 -0.09 3.49 0.41 -1.26 -5.06 118.70 115.06 2hiq s GLU 87 Ca -0.06 -0.48 0.04 0.00 -0.41 0.00 0.00 54.97 54.06 2hiq s GLU 87 Cb 0.08 -1.34 -0.01 0.00 -1.78 0.00 0.00 34.13 31.08 2hiq s GLU 87 CO 0.83 0.16 -0.23 0.08 -0.49 0.00 0.00 175.26 175.61 2hiq s VAL 88 N 0.21 2.21 -0.36 2.63 1.01 -1.26 -4.59 120.40 120.25 2hiq s VAL 88 Ca -0.06 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 2hiq s VAL 88 Cb -0.12 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2hiq s VAL 88 CO 0.02 0.56 0.22 -0.69 0.00 0.00 0.00 175.10 175.22 2hiq s VAL 89 N 0.12 4.95 0.02 2.92 1.01 -0.68 -5.00 120.40 123.74 2hiq s VAL 89 Ca -0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 2hiq s VAL 89 Cb -0.16 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2hiq s VAL 89 CO 0.06 -0.11 0.01 0.00 0.00 0.00 0.00 175.10 175.07 2hiq s ALA 90 N 1.65 0.07 0.01 5.51 0.00 -1.26 -1.74 121.76 126.00 2hiq s ALA 90 Ca 0.05 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.43 2hiq s ALA 90 Cb -0.18 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2hiq s ALA 90 CO 0.08 -0.21 -0.04 0.15 0.00 0.00 0.00 175.76 175.74 2hiq s LYS 91 N -1.87 0.34 -0.14 0.00 1.02 -0.52 -5.01 119.74 113.57 2hiq s LYS 91 Ca -0.12 -0.37 -0.00 0.00 0.02 0.00 0.00 55.97 55.50 2hiq s LYS 91 Cb -0.06 -0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.02 2hiq s LYS 91 CO -0.02 0.05 -0.13 0.08 -0.92 0.00 0.00 175.35 174.40 2hiq s VAL 92 N -0.64 2.96 0.11 3.17 1.01 -1.26 -1.74 120.40 124.00 2hiq s VAL 92 Ca -0.04 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2hiq s VAL 92 Cb -0.05 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2hiq s VAL 92 CO -0.00 0.52 -0.08 -0.36 0.00 0.00 0.00 175.10 175.18 2hiq s PHE 93 N 0.49 1.03 0.18 5.22 0.08 -0.37 -4.99 117.98 119.63 2hiq s PHE 93 Ca -0.09 -0.82 -0.11 0.00 0.12 0.00 0.00 56.93 56.02 2hiq s PHE 93 Cb -0.16 -0.56 -0.07 0.00 -0.57 0.00 0.00 43.02 41.66 2hiq s PHE 93 CO 0.04 -0.05 0.53 -0.51 -0.10 0.00 0.00 175.22 175.13 2hiq s ASP 94 N -2.99 6.69 -0.10 1.36 -0.00 -1.26 -0.39 116.67 119.97 2hiq s ASP 94 Ca 0.12 0.95 -0.10 0.00 -0.00 0.00 0.00 52.55 53.52 2hiq s ASP 94 Cb 0.03 -2.24 -0.05 0.00 -0.00 0.00 0.00 42.92 40.67 2hiq s ASP 94 CO -0.02 0.02 0.22 -0.69 -0.00 0.00 0.00 175.17 174.69 2hiq s VAL 95 N -1.65 5.37 -0.54 -1.27 1.01 -0.75 -4.80 120.40 117.77 2hiq s VAL 95 Ca 0.42 0.39 -0.21 0.00 0.00 0.00 0.00 61.98 62.59 2hiq s VAL 95 Cb -0.13 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.81 2hiq s VAL 95 CO 0.20 0.57 0.74 0.21 0.00 0.00 0.00 175.10 176.83 2hiq s ASN 96 N -0.78 6.25 0.08 3.32 3.84 -1.26 -4.55 114.94 121.83 2hiq s ASN 96 Ca 0.17 -0.81 -0.27 0.00 0.21 0.00 0.00 52.86 52.15 2hiq s ASN 96 Cb -0.13 -2.34 -0.17 0.00 -0.55 0.00 0.00 41.25 38.06 2hiq s ASN 96 CO 0.06 -1.04 1.68 -0.08 -2.79 0.00 0.00 177.10 174.92 2hiq h GLU 97 N 9.14 -0.36 -0.38 0.43 4.57 -1.98 -1.06 114.58 124.94 2hiq h GLU 97 Ca -0.27 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.01 2hiq h GLU 97 Cb 1.09 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 29.67 2hiq h GLU 97 CO 1.03 -0.23 -0.22 -1.35 -1.18 0.00 0.00 179.01 177.05 2hiq h PRO 98 N -0.39 -0.16 -0.51 0.92 0.11 -2.00 0.20 132.00 130.17 2hiq h PRO 98 Ca -0.04 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 2hiq h PRO 98 Cb 0.30 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2hiq h PRO 98 CO 0.06 -0.10 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.62 2hiq h LEU 99 N -0.16 0.94 -1.12 2.35 3.38 -1.99 -2.89 115.31 115.81 2hiq h LEU 99 Ca 0.18 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 2hiq h LEU 99 Cb 0.45 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2hiq h LEU 99 CO -0.47 1.05 0.02 0.28 0.09 0.00 0.00 178.44 179.41 2hiq h SER 100 N 0.81 0.59 -0.26 -0.43 0.02 -0.57 -2.51 113.55 111.20 2hiq h SER 100 Ca 0.14 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2hiq h SER 100 Cb 0.61 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2hiq h SER 100 CO 0.04 0.65 -0.03 1.56 -1.14 0.00 0.00 176.83 177.91 2hiq h GLN 101 N 0.60 0.60 -0.51 3.45 4.20 -0.45 -2.67 115.11 120.32 2hiq h GLN 101 Ca 0.13 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 2hiq h GLN 101 Cb 0.35 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2hiq h GLN 101 CO 0.01 0.65 -0.10 0.82 -0.67 0.00 0.00 178.83 179.54 2hiq h ILE 102 N 0.57 1.26 -0.82 2.54 2.04 -1.26 -3.18 117.51 118.66 2hiq h ILE 102 Ca 0.11 -1.23 -0.53 0.00 1.00 0.00 0.00 64.86 64.21 2hiq h ILE 102 Cb 0.41 0.98 -0.24 0.00 -0.74 0.00 0.00 36.82 37.23 2hiq h ILE 102 CO 0.02 0.43 0.69 0.59 0.00 0.00 0.00 178.15 179.88 2hiq n ASN 103 N -4.15 6.55 0.00 1.72 3.02 -1.02 -5.14 115.26 116.25 2hiq n ASN 103 Ca 0.02 -3.50 0.00 0.00 -0.03 0.00 0.00 54.58 51.07 2hiq n ASN 103 Cb 0.39 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 2hiq n ASN 103 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64