#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ht9 s LYS 1 N 0.00 3.84 0.51 2.12 3.01 -1.26 -5.06 119.74 122.90 1ht9 s LYS 1 Ca 0.00 2.09 -0.02 0.00 -1.01 0.00 0.00 55.97 57.02 1ht9 s LYS 1 Cb 0.00 -2.64 -0.00 0.00 -1.01 0.00 0.00 37.83 34.18 1ht9 s LYS 1 CO 0.00 -0.57 0.77 -1.54 0.51 0.00 0.00 175.35 174.52 1ht9 s SER 2 N -0.88 5.76 0.37 2.83 1.04 -1.26 -4.95 113.70 116.61 1ht9 s SER 2 Ca 0.60 0.49 0.07 0.00 0.48 0.00 0.00 55.95 57.59 1ht9 s SER 2 Cb -0.36 -1.64 0.72 0.00 0.10 0.00 0.00 66.02 64.84 1ht9 s SER 2 CO 0.46 -0.84 1.92 -0.65 0.98 0.00 0.00 173.24 175.11 1ht9 h PRO 3 N 0.16 0.39 -0.30 4.02 0.11 -1.99 -1.26 132.00 133.13 1ht9 h PRO 3 Ca -0.46 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 1ht9 h PRO 3 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ht9 h PRO 3 CO 0.59 0.44 -0.30 0.93 -0.21 0.00 0.00 178.00 179.45 1ht9 h GLU 4 N 0.38 0.64 -0.76 1.05 3.07 -2.01 -1.97 114.58 114.98 1ht9 h GLU 4 Ca 0.08 -0.28 -0.01 0.00 -0.50 0.00 0.00 59.36 58.65 1ht9 h GLU 4 Cb 0.30 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 1ht9 h GLU 4 CO 0.01 0.86 0.44 1.49 -1.40 0.00 0.00 179.01 180.41 1ht9 h GLU 5 N 0.55 1.04 0.00 2.33 4.81 -1.81 -2.93 114.58 118.56 1ht9 h GLU 5 Ca 0.07 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1ht9 h GLU 5 Cb 0.79 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1ht9 h GLU 5 CO 0.07 0.75 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.83 1ht9 h LEU 6 N 1.04 0.00 -0.03 1.64 3.38 -0.71 -0.89 115.31 119.74 1ht9 h LEU 6 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ht9 h LEU 6 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ht9 h LEU 6 CO -0.05 0.20 0.02 0.50 0.09 0.00 0.00 178.44 179.20 1ht9 h LYS 7 N 0.00 0.05 -0.22 1.13 3.64 -1.20 -0.16 116.57 119.82 1ht9 h LYS 7 Ca -0.00 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1ht9 h LYS 7 Cb 0.41 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 1ht9 h LYS 7 CO 0.03 0.17 -0.27 0.78 -2.27 0.00 0.00 179.45 177.89 1ht9 h GLY 8 N -0.08 -0.26 0.40 5.01 0.00 -1.31 -1.62 103.07 105.22 1ht9 h GLY 8 Ca 0.01 0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.77 1ht9 h GLY 8 CO -0.00 -0.21 0.19 -2.22 0.00 0.00 0.00 176.54 174.30 1ht9 h ILE 9 N -0.30 0.77 -0.46 2.60 2.04 -0.95 -0.12 117.51 121.09 1ht9 h ILE 9 Ca 0.13 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ht9 h ILE 9 Cb 0.49 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1ht9 h ILE 9 CO -0.39 0.07 0.28 0.15 0.00 0.00 0.00 178.15 178.26 1ht9 h PHE 10 N 0.36 0.61 -0.59 1.37 3.57 -0.72 -2.17 116.94 119.38 1ht9 h PHE 10 Ca 0.28 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1ht9 h PHE 10 Cb 0.35 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1ht9 h PHE 10 CO -0.18 0.43 0.08 0.93 -2.23 0.00 0.00 178.31 177.34 1ht9 h GLU 11 N 0.62 0.96 0.17 1.11 5.08 -0.95 -1.30 114.58 120.27 1ht9 h GLU 11 Ca 0.17 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1ht9 h GLU 11 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1ht9 h GLU 11 CO -0.03 0.90 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.58 1ht9 h LYS 12 N 0.90 -0.22 0.00 2.33 3.64 -0.72 -2.97 116.57 119.53 1ht9 h LYS 12 Ca 0.18 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1ht9 h LYS 12 Cb 0.42 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1ht9 h LYS 12 CO 0.01 -0.01 -0.48 1.88 -2.27 0.00 0.00 179.45 178.58 1ht9 h TYR 13 N -0.40 0.00 0.00 1.91 0.05 -1.31 -3.13 116.97 114.08 1ht9 h TYR 13 Ca -0.02 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.66 1ht9 h TYR 13 Cb 0.32 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1ht9 h TYR 13 CO -0.01 0.48 -0.44 0.00 -1.05 0.00 0.00 178.16 177.14 1ht9 h ALA 14 N 1.52 1.15 0.00 3.88 0.00 -1.27 -2.90 119.26 121.63 1ht9 h ALA 14 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ht9 h ALA 14 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ht9 h ALA 14 CO 0.06 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1ht9 n ALA 15 N -2.40 2.49 -0.02 0.00 0.00 -1.10 -4.17 120.51 115.31 1ht9 n ALA 15 Ca -0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 1ht9 n ALA 15 Cb 0.49 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 1ht9 n ALA 15 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ht9 h LYS 16 N 0.00 0.48 -4.13 0.00 1.79 -1.65 -3.46 116.57 109.61 1ht9 h LYS 16 Ca 0.00 -0.42 -0.16 0.00 -2.18 0.00 0.00 60.65 57.89 1ht9 h LYS 16 Cb 0.02 0.10 -0.18 0.00 -1.58 0.00 0.00 32.23 30.59 1ht9 h LYS 16 CO 0.00 1.06 -0.69 -1.83 -1.08 0.00 0.00 179.45 176.91 1ht9 s GLU 17 N -3.54 0.45 5.31 3.15 -1.05 -1.26 -5.10 118.70 116.66 1ht9 s GLU 17 Ca -0.13 -0.88 0.00 0.00 -0.15 0.00 0.00 54.97 53.81 1ht9 s GLU 17 Cb 0.05 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 1ht9 s GLU 17 CO 0.82 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 177.37 1ht9 n GLY 18 N 0.95 2.17 3.71 -3.83 0.00 -1.26 -4.36 105.19 102.56 1ht9 n GLY 18 Ca -0.20 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1ht9 n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ht9 s ASP 19 N -4.00 6.58 0.00 1.61 -1.08 -1.26 -4.88 116.67 113.64 1ht9 s ASP 19 Ca 0.00 2.59 0.29 0.00 -0.52 0.00 0.00 52.55 54.90 1ht9 s ASP 19 Cb 0.00 -2.58 1.17 0.00 -1.46 0.00 0.00 42.92 40.05 1ht9 s ASP 19 CO 0.00 -0.86 1.87 -0.81 0.52 0.00 0.00 175.17 175.89 1ht9 n PRO 20 N 4.64 0.04 0.00 4.34 -0.04 -1.26 -3.01 135.00 139.71 1ht9 n PRO 20 Ca 0.15 -0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 1ht9 n PRO 20 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1ht9 n PRO 20 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ht9 n ASN 21 N -1.48 1.94 -4.22 3.54 3.02 -1.26 -2.69 115.26 114.10 1ht9 n ASN 21 Ca 0.07 -1.47 -0.18 0.00 -0.03 0.00 0.00 54.58 52.97 1ht9 n ASN 21 Cb 0.33 0.50 -0.11 0.00 -0.61 0.00 0.00 39.78 39.89 1ht9 n ASN 21 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1ht9 s ASN 22 N -2.51 1.94 -0.25 6.41 0.01 -1.16 -5.02 114.94 114.35 1ht9 s ASN 22 Ca 0.18 -0.75 -0.10 0.00 -0.71 0.00 0.00 52.86 51.47 1ht9 s ASN 22 Cb 0.18 -0.07 -0.05 0.00 0.41 0.00 0.00 41.25 41.73 1ht9 s ASN 22 CO 0.59 -0.12 0.16 -0.76 -1.51 0.00 0.00 177.10 175.47 1ht9 s LEU 23 N -2.23 4.03 0.94 0.60 1.43 -1.26 -4.63 118.68 117.56 1ht9 s LEU 23 Ca 0.06 0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 1ht9 s LEU 23 Cb -0.06 -2.09 0.18 0.00 0.03 0.00 0.00 46.19 44.24 1ht9 s LEU 23 CO 0.03 0.02 1.27 -0.94 0.23 0.00 0.00 176.35 176.96 1ht9 s SER 24 N 1.30 3.31 0.26 2.29 1.04 -1.26 -4.83 113.70 115.81 1ht9 s SER 24 Ca 0.07 0.44 -0.02 0.00 0.48 0.00 0.00 55.95 56.92 1ht9 s SER 24 Cb -0.14 -0.61 0.32 0.00 0.10 0.00 0.00 66.02 65.69 1ht9 s SER 24 CO 0.07 -2.62 1.74 0.50 0.98 0.00 0.00 173.24 173.90 1ht9 h LYS 25 N -1.56 0.76 -0.52 4.02 3.64 -1.99 0.75 116.57 121.67 1ht9 h LYS 25 Ca -0.45 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 58.63 1ht9 h LYS 25 Cb 1.26 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1ht9 h LYS 25 CO 0.45 0.80 0.01 1.49 -2.27 0.00 0.00 179.45 179.94 1ht9 h GLU 26 N 0.70 0.87 -0.04 1.90 4.81 -1.99 -0.83 114.58 120.00 1ht9 h GLU 26 Ca 0.13 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 58.94 1ht9 h GLU 26 Cb 0.51 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1ht9 h GLU 26 CO 0.03 0.86 -0.75 0.93 -0.73 0.00 0.00 179.01 179.35 1ht9 h GLU 27 N 0.81 0.24 -0.59 1.92 5.08 -1.72 -2.19 114.58 118.13 1ht9 h GLU 27 Ca 0.16 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1ht9 h GLU 27 Cb 0.46 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1ht9 h GLU 27 CO 0.02 0.88 0.04 1.25 -1.00 0.00 0.00 179.01 180.20 1ht9 h LEU 28 N 0.16 0.99 -0.55 1.33 5.85 -0.57 -0.47 115.31 122.05 1ht9 h LEU 28 Ca -0.03 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.44 1ht9 h LEU 28 Cb 1.32 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1ht9 h LEU 28 CO 0.12 1.03 0.31 0.50 -0.34 0.00 0.00 178.44 180.06 1ht9 h LYS 29 N 0.91 0.58 -0.38 1.25 3.64 -1.02 -1.24 116.57 120.32 1ht9 h LYS 29 Ca 0.17 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 1ht9 h LYS 29 Cb 0.50 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1ht9 h LYS 29 CO 0.02 0.39 -0.23 1.25 -2.27 0.00 0.00 179.45 178.61 1ht9 h LEU 30 N 0.60 0.76 -0.02 5.20 5.85 -1.22 -0.69 115.31 125.79 1ht9 h LEU 30 Ca 0.24 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1ht9 h LEU 30 Cb 0.09 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1ht9 h LEU 30 CO -0.14 0.96 0.01 0.25 -0.34 0.00 0.00 178.44 179.19 1ht9 h LEU 31 N 0.65 0.02 -0.23 2.25 6.46 -0.75 -2.03 115.31 121.69 1ht9 h LEU 31 Ca 0.09 -0.10 -0.11 0.00 -0.12 0.00 0.00 57.88 57.65 1ht9 h LEU 31 Cb 0.73 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1ht9 h LEU 31 CO 0.06 0.11 -0.28 -0.07 -0.62 0.00 0.00 178.44 177.64 1ht9 h LEU 32 N -0.07 0.64 -1.14 2.25 3.38 -1.14 0.11 115.31 119.35 1ht9 h LEU 32 Ca 0.01 -0.49 0.04 0.00 0.09 0.00 0.00 57.88 57.52 1ht9 h LEU 32 Cb 0.09 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1ht9 h LEU 32 CO -0.00 1.01 0.59 -0.61 0.09 0.00 0.00 178.44 179.51 1ht9 h GLN 33 N 0.30 1.07 0.07 1.13 4.15 -1.12 -1.80 115.11 118.91 1ht9 h GLN 33 Ca 0.03 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 1ht9 h GLN 33 Cb 0.84 -0.24 0.01 0.00 0.21 0.00 0.00 27.48 28.30 1ht9 h GLN 33 CO 0.07 0.71 -0.46 1.15 -1.93 0.00 0.00 178.83 178.37 1ht9 h THR 34 N 1.10 1.62 0.01 2.39 2.02 -1.30 -3.37 112.91 115.38 1ht9 h THR 34 Ca 0.36 -2.44 -0.36 0.00 0.77 0.00 0.00 66.41 64.74 1ht9 h THR 34 Cb 0.05 3.26 -0.06 0.00 -1.74 0.00 0.00 68.15 69.65 1ht9 h THR 34 CO -0.11 0.66 -2.26 -0.62 0.37 0.00 0.00 175.52 173.55 1ht9 n GLU 35 N -4.36 0.68 -2.99 6.66 -0.58 0.37 -4.66 120.64 115.76 1ht9 n GLU 35 Ca -0.13 0.09 -0.20 0.00 -0.42 0.00 0.00 57.16 56.50 1ht9 n GLU 35 Cb 0.66 -1.58 -0.02 0.00 -0.57 0.00 0.00 31.44 29.93 1ht9 n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1ht9 n PHE 36 N -2.94 1.59 0.31 -0.32 3.01 -0.72 -4.98 117.46 113.41 1ht9 n PHE 36 Ca -0.32 -3.67 0.17 0.00 1.01 0.00 0.00 57.45 54.64 1ht9 n PHE 36 Cb 1.10 -0.41 0.76 0.00 -0.01 0.00 0.00 39.48 40.92 1ht9 n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ht9 h PRO 37 N 2.96 0.00 -0.22 -1.08 0.13 -1.62 -1.73 132.00 130.45 1ht9 h PRO 37 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1ht9 h PRO 37 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1ht9 h PRO 37 CO 0.61 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.25 1ht9 n SER 38 N -2.79 2.68 -0.06 1.44 3.41 -1.26 -4.34 113.62 112.71 1ht9 n SER 38 Ca -0.00 -1.87 -0.13 0.00 -0.26 0.00 0.00 58.87 56.61 1ht9 n SER 38 Cb 0.20 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 1ht9 n SER 38 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ht9 h LEU 39 N 3.70 0.43 -0.53 1.04 5.85 -1.65 -3.10 115.31 121.03 1ht9 h LEU 39 Ca 0.00 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1ht9 h LEU 39 Cb 0.80 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1ht9 h LEU 39 CO 0.00 0.84 0.00 -0.07 -0.34 0.00 0.00 178.44 178.87 1ht9 h LEU 40 N 0.02 0.00 0.00 2.25 3.38 -1.77 -2.87 115.31 116.32 1ht9 h LEU 40 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ht9 h LEU 40 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1ht9 h LEU 40 CO 0.04 0.00 -0.57 2.29 0.09 0.00 0.00 178.44 180.30 1ht9 n LYS 41 N -2.51 0.19 0.04 1.13 2.85 -1.20 -3.52 118.16 115.14 1ht9 n LYS 41 Ca 0.03 0.05 0.12 0.00 -1.05 0.00 0.00 58.31 57.47 1ht9 n LYS 41 Cb 0.34 -1.62 0.20 0.00 -0.65 0.00 0.00 35.03 33.31 1ht9 n LYS 41 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ht9 n GLY 42 N 1.39 -1.36 3.90 2.58 0.00 -1.09 -4.92 105.19 105.70 1ht9 n GLY 42 Ca 0.04 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1ht9 n GLY 42 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ht9 s MET 43 N -3.11 3.63 0.05 1.61 -1.94 -1.21 -5.10 119.30 113.23 1ht9 s MET 43 Ca 0.08 -0.06 0.05 0.00 -1.71 0.00 0.00 55.69 54.05 1ht9 s MET 43 Cb 0.15 -2.79 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 1ht9 s MET 43 CO 0.71 0.40 -0.10 -1.54 -0.01 0.00 0.00 175.02 174.49 1ht9 s SER 44 N -2.64 4.41 0.17 3.03 1.04 -1.26 -5.01 113.70 113.45 1ht9 s SER 44 Ca 0.42 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.45 1ht9 s SER 44 Cb -0.12 -0.91 0.08 0.00 0.10 0.00 0.00 66.02 65.17 1ht9 s SER 44 CO 0.26 0.23 1.72 0.74 0.98 0.00 0.00 173.24 177.17 1ht9 h THR 45 N 3.56 1.23 -0.81 2.02 2.02 -1.98 -2.20 112.91 116.76 1ht9 h THR 45 Ca -0.48 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 65.98 1ht9 h THR 45 Cb 1.16 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1ht9 h THR 45 CO 0.52 0.29 0.53 0.25 0.37 0.00 0.00 175.52 177.48 1ht9 h LEU 46 N 0.84 0.89 -0.69 2.58 5.85 -1.99 0.26 115.31 123.04 1ht9 h LEU 46 Ca 0.20 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 1ht9 h LEU 46 Cb 0.22 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1ht9 h LEU 46 CO -0.01 0.63 0.04 0.44 -0.34 0.00 0.00 178.44 179.20 1ht9 h ASP 47 N 1.05 1.02 0.34 1.25 3.32 -1.92 -0.79 116.42 120.70 1ht9 h ASP 47 Ca 0.31 -0.27 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 1ht9 h ASP 47 Cb -0.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1ht9 h ASP 47 CO -0.09 1.05 -0.65 -0.08 -1.72 0.00 0.00 179.24 177.75 1ht9 h GLU 48 N 0.97 0.29 -0.42 3.56 4.57 -1.08 -1.06 114.58 121.41 1ht9 h GLU 48 Ca 0.18 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1ht9 h GLU 48 Cb 0.50 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 1ht9 h GLU 48 CO 0.02 0.83 0.14 1.25 -1.18 0.00 0.00 179.01 180.07 1ht9 h LEU 49 N 0.21 0.61 -0.60 1.64 5.85 -0.16 -0.64 115.31 122.21 1ht9 h LEU 49 Ca -0.01 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1ht9 h LEU 49 Cb 1.18 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1ht9 h LEU 49 CO 0.10 0.65 0.32 0.15 -0.34 0.00 0.00 178.44 179.32 1ht9 h PHE 50 N 0.54 0.59 -0.58 1.25 3.04 -1.00 0.32 116.94 121.10 1ht9 h PHE 50 Ca 0.14 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.05 1ht9 h PHE 50 Cb 0.25 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 1ht9 h PHE 50 CO 0.01 0.28 0.14 0.93 -2.02 0.00 0.00 178.31 177.65 1ht9 h GLU 51 N 0.61 0.90 -0.72 1.11 4.39 -0.60 -0.19 114.58 120.08 1ht9 h GLU 51 Ca 0.27 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1ht9 h GLU 51 Cb 0.17 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1ht9 h GLU 51 CO -0.17 0.81 0.29 1.49 -1.16 0.00 0.00 179.01 180.27 1ht9 h GLU 52 N 0.86 1.07 0.06 2.33 4.81 -0.62 -3.17 114.58 119.92 1ht9 h GLU 52 Ca 0.19 -0.18 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1ht9 h GLU 52 Cb 0.32 -0.18 0.02 0.00 0.63 0.00 0.00 28.75 29.54 1ht9 h GLU 52 CO -0.00 0.86 -1.13 -0.07 -0.73 0.00 0.00 179.01 177.94 1ht9 h LEU 53 N 1.04 0.80 -6.96 1.64 3.38 -0.50 -3.38 115.31 111.33 1ht9 h LEU 53 Ca 0.24 -0.70 -0.71 0.00 0.09 0.00 0.00 57.88 56.81 1ht9 h LEU 53 Cb 0.19 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.60 1ht9 h LEU 53 CO -0.02 1.50 2.41 -0.67 0.09 0.00 0.00 178.44 181.75 1ht9 n ASP 54 N -3.79 4.61 -0.10 -0.43 2.03 -0.12 -4.80 116.55 113.96 1ht9 n ASP 54 Ca -0.11 -2.93 -0.00 0.00 0.52 0.00 0.00 54.79 52.27 1ht9 n ASP 54 Cb 0.93 -1.65 0.26 0.00 -0.72 0.00 0.00 41.12 39.94 1ht9 n ASP 54 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ht9 h LYS 55 N 6.68 0.75 -0.02 -0.67 1.79 -1.78 -2.36 116.57 120.96 1ht9 h LYS 55 Ca 0.47 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1ht9 h LYS 55 Cb 0.75 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1ht9 h LYS 55 CO 1.61 0.62 -0.15 0.27 -1.08 0.00 0.00 179.45 180.72 1ht9 n ASN 56 N -4.34 1.80 -0.85 0.86 6.94 -1.26 -4.96 115.26 113.45 1ht9 n ASN 56 Ca 0.04 -1.45 -0.09 0.00 -0.02 0.00 0.00 54.58 53.06 1ht9 n ASN 56 Cb 0.16 0.12 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 1ht9 n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ht9 n GLY 57 N 1.30 0.51 0.56 4.83 0.00 -0.89 -4.90 105.19 106.60 1ht9 n GLY 57 Ca 0.14 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.65 1ht9 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ht9 n ASP 58 N 0.43 1.62 -0.02 1.61 3.85 -1.26 -4.89 116.55 117.88 1ht9 n ASP 58 Ca -0.10 -1.96 -0.00 0.00 -0.71 0.00 0.00 54.79 52.02 1ht9 n ASP 58 Cb 0.44 -0.19 -0.00 0.00 -1.35 0.00 0.00 41.12 40.02 1ht9 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ht9 n GLY 59 N 1.00 0.44 3.03 6.12 0.00 -1.26 -5.01 105.19 109.50 1ht9 n GLY 59 Ca 0.11 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1ht9 n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ht9 s GLU 60 N -0.50 0.52 -0.29 1.61 0.41 -1.26 -5.12 118.70 114.07 1ht9 s GLU 60 Ca 0.00 -0.52 -0.11 0.00 -0.41 0.00 0.00 54.97 53.94 1ht9 s GLU 60 Cb 0.00 -0.40 -0.04 0.00 -1.78 0.00 0.00 34.13 31.91 1ht9 s GLU 60 CO 0.00 0.09 0.18 0.08 -0.49 0.00 0.00 175.26 175.13 1ht9 s VAL 61 N -0.80 5.12 0.81 2.63 1.01 -1.26 -4.78 120.40 123.14 1ht9 s VAL 61 Ca -0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 1ht9 s VAL 61 Cb -0.06 -3.50 0.11 0.00 0.00 0.00 0.00 36.38 32.93 1ht9 s VAL 61 CO 0.00 0.18 1.15 -0.94 0.00 0.00 0.00 175.10 175.49 1ht9 s SER 62 N 1.72 4.21 0.37 3.32 1.04 -1.26 -4.83 113.70 118.27 1ht9 s SER 62 Ca 0.06 0.44 0.06 0.00 0.48 0.00 0.00 55.95 57.00 1ht9 s SER 62 Cb -0.16 -0.85 0.71 0.00 0.10 0.00 0.00 66.02 65.82 1ht9 s SER 62 CO 0.10 -2.03 1.95 0.15 0.98 0.00 0.00 173.24 174.38 1ht9 h PHE 63 N -1.03 0.50 -0.08 5.02 3.57 -1.99 0.04 116.94 122.98 1ht9 h PHE 63 Ca -0.44 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 1ht9 h PHE 63 Cb 1.29 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1ht9 h PHE 63 CO -0.12 0.44 0.05 1.49 -2.23 0.00 0.00 178.31 177.94 1ht9 h GLU 64 N 0.49 0.11 -0.07 1.11 4.81 -2.02 -2.81 114.58 116.21 1ht9 h GLU 64 Ca 0.12 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1ht9 h GLU 64 Cb 0.19 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1ht9 h GLU 64 CO -0.00 0.14 -0.05 0.93 -0.73 0.00 0.00 179.01 179.30 1ht9 h GLU 65 N 0.06 0.11 0.00 1.92 5.08 -1.77 -2.26 114.58 117.71 1ht9 h GLU 65 Ca 0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1ht9 h GLU 65 Cb 0.06 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ht9 h GLU 65 CO -0.01 0.17 -0.09 0.35 -1.00 0.00 0.00 179.01 178.44 1ht9 h PHE 66 N 0.11 0.00 0.00 4.33 3.04 -0.73 -2.53 116.94 121.16 1ht9 h PHE 66 Ca 0.03 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 1ht9 h PHE 66 Cb 0.17 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.68 1ht9 h PHE 66 CO 0.00 0.09 -0.01 1.96 -2.02 0.00 0.00 178.31 178.33 1ht9 h GLN 67 N 0.00 0.00 -0.04 1.11 1.08 -1.31 0.36 115.11 116.30 1ht9 h GLN 67 Ca -0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1ht9 h GLN 67 Cb 0.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1ht9 h GLN 67 CO 0.01 0.01 -0.45 0.28 -0.95 0.00 0.00 178.83 177.73 1ht9 h VAL 68 N 0.00 1.33 -0.02 -0.54 2.07 -1.63 -2.69 116.25 114.76 1ht9 h VAL 68 Ca -0.00 -1.59 -0.21 0.00 0.82 0.00 0.00 66.70 65.73 1ht9 h VAL 68 Cb 0.03 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1ht9 h VAL 68 CO 0.00 0.46 -0.86 0.25 0.02 0.00 0.00 177.57 177.44 1ht9 h LEU 69 N 0.08 0.45 -1.41 2.57 5.85 -1.12 -3.17 115.31 118.54 1ht9 h LEU 69 Ca 0.00 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1ht9 h LEU 69 Cb 0.84 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1ht9 h LEU 69 CO 0.06 1.12 0.24 0.58 -0.34 0.00 0.00 178.44 180.10 1ht9 h VAL 70 N 0.21 1.15 -0.15 1.05 2.07 -1.07 0.17 116.25 119.69 1ht9 h VAL 70 Ca -0.06 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1ht9 h VAL 70 Cb 1.48 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1ht9 h VAL 70 CO 0.14 0.17 -0.04 0.11 0.02 0.00 0.00 177.57 177.97 1ht9 h LYS 71 N 0.65 0.22 0.00 1.57 1.79 -1.46 -2.97 116.57 116.36 1ht9 h LYS 71 Ca 0.17 -0.03 -0.16 0.00 -2.18 0.00 0.00 60.65 58.44 1ht9 h LYS 71 Cb 0.04 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1ht9 h LYS 71 CO -0.03 0.28 -0.76 0.87 -1.08 0.00 0.00 179.45 178.74 1ht9 h LYS 72 N 0.21 0.00 -6.44 3.15 1.57 -0.72 -3.46 116.57 110.89 1ht9 h LYS 72 Ca 0.05 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.30 1ht9 h LYS 72 Cb 0.22 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.56 1ht9 h LYS 72 CO 0.01 0.76 1.16 0.42 -0.57 0.00 0.00 179.45 181.23 1ht9 s ILE 73 N -3.10 2.79 0.00 1.86 1.01 -1.12 -4.97 121.20 117.67 1ht9 s ILE 73 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1ht9 s ILE 73 Cb 0.11 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1ht9 s ILE 73 CO 0.78 -0.00 0.41 -1.54 0.00 0.00 0.00 174.94 174.59 1ht9 n SER 74 N 6.53 0.00 0.00 3.58 3.41 -1.26 -5.06 113.62 120.83 1ht9 n SER 74 Ca 0.19 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1ht9 n SER 74 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1ht9 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88