#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 4.28 0.91 2.12 3.01 -1.26 -5.06 119.74 123.74 1ht9 s LYS 1 Ca 0.00 0.69 -0.12 0.00 -1.01 0.00 0.00 55.97 55.53 1ht9 s LYS 1 Cb 0.00 -3.54 0.14 0.00 -1.01 0.00 0.00 37.83 33.42 1ht9 s LYS 1 CO 0.00 -0.15 1.13 -1.54 0.51 0.00 0.00 175.35 175.31 1ht9 s SER 2 N 1.05 3.52 0.23 2.83 1.04 -1.26 -4.90 113.70 116.21 1ht9 s SER 2 Ca 0.31 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.70 1ht9 s SER 2 Cb -0.16 -1.60 0.22 0.00 0.10 0.00 0.00 66.02 64.58 1ht9 s SER 2 CO 0.12 -2.55 1.70 -0.65 0.98 0.00 0.00 173.24 172.85 1ht9 h PRO 3 N -1.49 0.90 -0.66 4.02 0.11 -2.00 -1.37 132.00 131.51 1ht9 h PRO 3 Ca -0.51 -0.27 -0.03 0.00 0.11 0.00 0.00 66.00 65.30 1ht9 h PRO 3 Cb 1.33 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1ht9 h PRO 3 CO 0.61 0.91 0.29 0.93 -0.21 0.00 0.00 178.00 180.53 1ht9 h GLU 4 N 0.82 0.96 -0.53 1.05 3.07 -2.00 -1.70 114.58 116.26 1ht9 h GLU 4 Ca 0.15 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1ht9 h GLU 4 Cb 0.52 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 1ht9 h GLU 4 CO 0.03 0.79 0.29 1.49 -1.40 0.00 0.00 179.01 180.21 1ht9 h GLU 5 N 0.92 0.74 -0.41 2.33 4.81 -1.65 -2.45 114.58 118.86 1ht9 h GLU 5 Ca 0.22 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1ht9 h GLU 5 Cb 0.16 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1ht9 h GLU 5 CO -0.02 0.57 0.13 -0.07 -0.73 0.00 0.00 179.01 178.88 1ht9 h LEU 6 N 0.71 0.54 -0.66 1.64 4.07 -0.91 -0.74 115.31 119.97 1ht9 h LEU 6 Ca 0.19 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 1ht9 h LEU 6 Cb 0.05 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 1ht9 h LEU 6 CO -0.03 0.52 0.31 0.50 -1.08 0.00 0.00 178.44 178.66 1ht9 h LYS 7 N 0.59 0.95 -0.66 1.13 3.64 -1.18 -1.64 116.57 119.40 1ht9 h LYS 7 Ca 0.14 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1ht9 h LYS 7 Cb 0.18 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1ht9 h LYS 7 CO -0.01 0.76 0.14 0.78 -2.27 0.00 0.00 179.45 178.85 1ht9 h GLY 8 N 0.91 1.13 0.97 5.01 0.00 -0.90 -0.69 103.07 109.50 1ht9 h GLY 8 Ca 0.22 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 1ht9 h GLY 8 CO -0.03 0.66 0.11 -2.22 0.00 0.00 0.00 176.54 175.06 1ht9 h ILE 9 N 1.00 1.24 0.08 2.60 2.04 -0.98 0.12 117.51 123.61 1ht9 h ILE 9 Ca 0.21 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.22 1ht9 h ILE 9 Cb 0.38 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1ht9 h ILE 9 CO 0.00 0.31 -0.11 0.15 0.00 0.00 0.00 178.15 178.50 1ht9 h PHE 10 N 0.67 -0.28 -0.68 1.37 3.57 -0.98 -2.23 116.94 118.39 1ht9 h PHE 10 Ca 0.15 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1ht9 h PHE 10 Cb 0.34 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1ht9 h PHE 10 CO 0.02 -0.17 0.19 0.93 -2.23 0.00 0.00 178.31 177.05 1ht9 h GLU 11 N -0.23 1.05 -0.08 1.11 5.08 -0.88 0.08 114.58 120.71 1ht9 h GLU 11 Ca 0.01 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1ht9 h GLU 11 Cb 0.23 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1ht9 h GLU 11 CO -0.05 0.91 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.63 1ht9 h LYS 12 N 1.01 -0.00 0.02 2.33 3.64 -0.36 -2.68 116.57 120.53 1ht9 h LYS 12 Ca 0.22 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.39 1ht9 h LYS 12 Cb 0.32 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1ht9 h LYS 12 CO -0.00 -0.00 -0.96 1.88 -2.27 0.00 0.00 179.45 178.09 1ht9 h TYR 13 N -0.00 0.21 -0.17 1.91 0.05 -1.33 -3.21 116.97 114.43 1ht9 h TYR 13 Ca 0.04 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 1ht9 h TYR 13 Cb 0.07 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1ht9 h TYR 13 CO -0.14 1.01 -0.08 0.00 -1.05 0.00 0.00 178.16 177.90 1ht9 h ALA 14 N 0.94 1.55 0.00 3.88 0.00 -0.95 -2.81 119.26 121.87 1ht9 h ALA 14 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ht9 h ALA 14 Cb 1.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1ht9 h ALA 14 CO 0.14 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1ht9 n ALA 15 N -2.49 1.93 -0.09 0.00 0.00 -1.01 -4.18 120.51 114.66 1ht9 n ALA 15 Ca -0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1ht9 n ALA 15 Cb 0.24 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 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 -5.31 0.00 1.57 -1.60 -3.45 116.57 108.25 1ht9 h LYS 16 Ca 0.00 -0.16 -0.39 0.00 -1.87 0.00 0.00 60.65 58.22 1ht9 h LYS 16 Cb 0.39 -0.04 -0.18 0.00 0.08 0.00 0.00 32.23 32.48 1ht9 h LYS 16 CO 0.00 0.66 -0.75 -1.21 -0.57 0.00 0.00 179.45 177.58 1ht9 s GLU 17 N -4.92 1.00 3.94 3.15 2.02 -1.26 -5.10 118.70 117.52 1ht9 s GLU 17 Ca -0.14 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1ht9 s GLU 17 Cb 0.08 -0.82 0.00 0.00 0.10 0.00 0.00 34.13 33.49 1ht9 s GLU 17 CO 0.76 0.15 0.00 0.41 0.02 0.00 0.00 175.26 176.60 1ht9 n GLY 18 N 0.48 2.49 3.66 -1.39 0.00 -1.26 -4.27 105.19 104.91 1ht9 n GLY 18 Ca -0.15 -0.28 -0.46 0.00 0.00 0.00 0.00 46.02 45.12 1ht9 n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ht9 n ASP 19 N 0.52 3.62 0.00 1.61 -0.08 -1.26 -4.85 116.55 116.10 1ht9 n ASP 19 Ca 0.00 0.89 0.13 0.00 -1.51 0.00 0.00 54.79 54.30 1ht9 n ASP 19 Cb 0.00 -1.42 0.58 0.00 2.34 0.00 0.00 41.12 42.62 1ht9 n ASP 19 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1ht9 n PRO 20 N 7.11 0.08 0.00 -0.67 -0.04 -1.26 -3.04 135.00 137.17 1ht9 n PRO 20 Ca 0.23 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1ht9 n PRO 20 Cb 0.34 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.46 2.02 -4.19 3.54 3.02 -1.26 -2.55 115.26 114.39 1ht9 n ASN 21 Ca 0.08 -1.51 -0.15 0.00 -0.03 0.00 0.00 54.58 52.96 1ht9 n ASN 21 Cb 0.29 0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 39.75 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 -2.20 1.56 -0.21 6.41 0.01 -1.17 -5.01 114.94 114.32 1ht9 s ASN 22 Ca 0.18 -0.79 -0.13 0.00 -0.71 0.00 0.00 52.86 51.41 1ht9 s ASN 22 Cb 0.16 -0.01 -0.05 0.00 0.41 0.00 0.00 41.25 41.77 1ht9 s ASN 22 CO 0.48 -0.22 0.27 -0.76 -1.51 0.00 0.00 177.10 175.35 1ht9 s LEU 23 N -2.37 4.15 0.91 0.60 1.43 -1.26 -4.67 118.68 117.47 1ht9 s LEU 23 Ca 0.05 0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 1ht9 s LEU 23 Cb -0.04 -2.30 0.19 0.00 0.03 0.00 0.00 46.19 44.07 1ht9 s LEU 23 CO 0.01 0.02 1.25 -0.94 0.23 0.00 0.00 176.35 176.92 1ht9 s SER 24 N 0.92 3.32 0.25 2.29 1.04 -1.26 -4.85 113.70 115.41 1ht9 s SER 24 Ca 0.13 0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.65 1ht9 s SER 24 Cb -0.14 -0.16 0.31 0.00 0.10 0.00 0.00 66.02 66.13 1ht9 s SER 24 CO 0.05 -2.58 1.63 0.50 0.98 0.00 0.00 173.24 173.82 1ht9 h LYS 25 N -1.41 0.41 -0.28 4.02 3.64 -1.99 -0.47 116.57 120.48 1ht9 h LYS 25 Ca -0.42 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 58.65 1ht9 h LYS 25 Cb 1.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1ht9 h LYS 25 CO 0.37 0.77 -0.23 0.93 -2.27 0.00 0.00 179.45 179.01 1ht9 h GLU 26 N 0.33 0.54 -0.14 1.90 4.39 -2.00 -1.03 114.58 118.57 1ht9 h GLU 26 Ca 0.03 -0.20 -0.14 0.00 0.34 0.00 0.00 59.36 59.39 1ht9 h GLU 26 Cb 0.90 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1ht9 h GLU 26 CO 0.08 0.73 -0.51 0.93 -1.16 0.00 0.00 179.01 179.08 1ht9 h GLU 27 N 0.48 0.37 -0.53 2.33 5.08 -1.78 -2.71 114.58 117.81 1ht9 h GLU 27 Ca 0.07 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1ht9 h GLU 27 Cb 0.66 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1ht9 h GLU 27 CO 0.05 0.79 -0.04 1.25 -1.00 0.00 0.00 179.01 180.06 1ht9 h LEU 28 N 0.29 0.92 -0.34 1.33 5.85 -0.69 -1.24 115.31 121.43 1ht9 h LEU 28 Ca 0.01 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1ht9 h LEU 28 Cb 0.99 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1ht9 h LEU 28 CO 0.09 1.00 0.17 0.50 -0.34 0.00 0.00 178.44 179.85 1ht9 h LYS 29 N 0.86 0.34 -0.59 1.25 3.64 -1.05 -0.57 116.57 120.44 1ht9 h LYS 29 Ca 0.15 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1ht9 h LYS 29 Cb 0.56 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1ht9 h LYS 29 CO 0.03 0.23 0.11 -0.07 -2.27 0.00 0.00 179.45 177.48 1ht9 h LEU 30 N 0.35 0.93 0.22 5.20 3.38 -1.27 -0.63 115.31 123.49 1ht9 h LEU 30 Ca 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1ht9 h LEU 30 Cb 0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1ht9 h LEU 30 CO -0.10 0.95 -0.14 0.25 0.09 0.00 0.00 178.44 179.48 1ht9 h LEU 31 N 0.88 -0.36 -0.29 1.67 6.46 -0.93 -2.06 115.31 120.68 1ht9 h LEU 31 Ca 0.18 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1ht9 h LEU 31 Cb 0.40 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1ht9 h LEU 31 CO 0.01 -0.23 0.10 -0.07 -0.62 0.00 0.00 178.44 177.63 1ht9 h LEU 32 N -0.36 0.41 -1.37 2.25 3.38 -0.93 -0.57 115.31 118.12 1ht9 h LEU 32 Ca -0.02 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1ht9 h LEU 32 Cb 0.30 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1ht9 h LEU 32 CO 0.02 0.50 0.45 1.56 0.09 0.00 0.00 178.44 181.06 1ht9 h GLN 33 N 0.31 0.79 0.00 1.13 4.20 -1.16 -1.56 115.11 118.82 1ht9 h GLN 33 Ca 0.09 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ht9 h GLN 33 Cb 0.23 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1ht9 h GLN 33 CO -0.00 0.52 -0.00 1.15 -0.67 0.00 0.00 178.83 179.83 1ht9 h THR 34 N 0.81 1.31 0.05 -0.54 2.02 -1.21 -3.38 112.91 111.97 1ht9 h THR 34 Ca 0.27 -1.96 -0.35 0.00 0.77 0.00 0.00 66.41 65.15 1ht9 h THR 34 Cb 0.08 2.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 1ht9 h THR 34 CO -0.08 0.44 -2.05 -0.62 0.37 0.00 0.00 175.52 173.58 1ht9 n GLU 35 N -4.66 0.69 -2.98 6.66 -0.58 -0.24 -4.65 120.64 114.88 1ht9 n GLU 35 Ca -0.07 0.21 -0.20 0.00 -0.42 0.00 0.00 57.16 56.68 1ht9 n GLU 35 Cb 0.35 -1.67 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 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 -3.19 1.62 0.29 -0.32 3.01 -0.64 -5.00 117.46 113.23 1ht9 n PHE 36 Ca -0.30 -3.64 0.13 0.00 1.01 0.00 0.00 57.45 54.65 1ht9 n PHE 36 Cb 1.06 -0.40 0.83 0.00 -0.01 0.00 0.00 39.48 40.95 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 0.00 -1.08 0.13 -1.59 -1.96 132.00 130.46 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 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ht9 h PRO 37 CO 0.61 0.00 -0.39 0.43 -0.23 0.00 0.00 178.00 178.43 1ht9 n SER 38 N -4.06 0.64 0.13 1.44 7.64 -1.26 -4.36 113.62 113.80 1ht9 n SER 38 Ca -0.03 0.23 -0.13 0.00 1.01 0.00 0.00 58.87 59.95 1ht9 n SER 38 Cb 0.09 -0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.08 1ht9 n SER 38 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ht9 h LEU 39 N 0.00 -0.47 -1.07 -3.43 6.46 -1.70 -1.48 115.31 113.62 1ht9 h LEU 39 Ca 0.00 0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.74 1ht9 h LEU 39 Cb 0.69 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.77 1ht9 h LEU 39 CO 0.00 -0.26 -0.04 -0.07 -0.62 0.00 0.00 178.44 177.44 1ht9 h LEU 40 N -0.38 0.59 -1.29 2.25 3.38 -1.77 -2.83 115.31 115.25 1ht9 h LEU 40 Ca 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ht9 h LEU 40 Cb 0.36 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1ht9 h LEU 40 CO -0.05 0.69 0.30 0.11 0.09 0.00 0.00 178.44 179.58 1ht9 h LYS 41 N 0.57 0.78 0.00 1.13 1.57 -1.57 -2.21 116.57 116.84 1ht9 h LYS 41 Ca 0.11 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ht9 h LYS 41 Cb 0.43 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ht9 h LYS 41 CO 0.02 0.59 -0.16 0.41 -0.57 0.00 0.00 179.45 179.74 1ht9 n GLY 42 N -1.24 -1.57 3.85 3.86 0.00 -0.63 -4.93 105.19 104.53 1ht9 n GLY 42 Ca 0.05 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.08 3.97 0.21 1.61 -1.94 -0.83 -5.08 119.30 114.15 1ht9 s MET 43 Ca 0.11 0.61 0.08 0.00 -1.71 0.00 0.00 55.69 54.78 1ht9 s MET 43 Cb 0.14 -2.46 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 1ht9 s MET 43 CO 0.61 0.18 -0.01 -1.54 -0.01 0.00 0.00 175.02 174.25 1ht9 s SER 44 N -2.29 4.63 0.19 3.03 1.04 -1.26 -5.01 113.70 114.04 1ht9 s SER 44 Ca 0.53 -0.51 -0.10 0.00 0.48 0.00 0.00 55.95 56.36 1ht9 s SER 44 Cb -0.10 -0.92 0.10 0.00 0.10 0.00 0.00 66.02 65.20 1ht9 s SER 44 CO 0.18 0.06 1.72 0.74 0.98 0.00 0.00 173.24 176.92 1ht9 h THR 45 N 2.27 1.25 -0.38 2.02 2.02 -1.98 -2.14 112.91 115.99 1ht9 h THR 45 Ca -0.46 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 65.85 1ht9 h THR 45 Cb 1.22 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1ht9 h THR 45 CO 0.58 0.34 0.23 0.25 0.37 0.00 0.00 175.52 177.29 1ht9 h LEU 46 N 0.99 0.45 -0.61 2.58 5.85 -1.98 0.11 115.31 122.70 1ht9 h LEU 46 Ca 0.22 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1ht9 h LEU 46 Cb 0.30 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1ht9 h LEU 46 CO -0.01 0.37 0.39 0.44 -0.34 0.00 0.00 178.44 179.29 1ht9 h ASP 47 N 0.49 0.66 0.27 1.25 3.32 -1.91 0.37 116.42 120.88 1ht9 h ASP 47 Ca 0.14 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 1ht9 h ASP 47 Cb -0.00 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1ht9 h ASP 47 CO -0.03 0.47 -0.62 -0.33 -1.72 0.00 0.00 179.24 177.01 1ht9 h GLU 48 N 0.78 0.34 -0.62 3.56 4.39 -1.16 -1.24 114.58 120.65 1ht9 h GLU 48 Ca 0.23 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1ht9 h GLU 48 Cb -0.05 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1ht9 h GLU 48 CO -0.07 0.85 0.30 1.25 -1.16 0.00 0.00 179.01 180.18 1ht9 h LEU 49 N 0.25 0.80 -0.55 1.33 5.85 -0.47 0.11 115.31 122.64 1ht9 h LEU 49 Ca -0.01 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1ht9 h LEU 49 Cb 1.15 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1ht9 h LEU 49 CO 0.10 0.71 0.34 0.15 -0.34 0.00 0.00 178.44 179.40 1ht9 h PHE 50 N 0.84 0.63 -0.49 1.25 3.04 -0.64 -1.87 116.94 119.71 1ht9 h PHE 50 Ca 0.21 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.10 1ht9 h PHE 50 Cb 0.11 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 1ht9 h PHE 50 CO 0.00 0.37 -0.02 0.93 -2.02 0.00 0.00 178.31 177.57 1ht9 h GLU 51 N 0.67 0.83 -0.85 1.11 4.39 -1.04 0.50 114.58 120.19 1ht9 h GLU 51 Ca 0.22 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.69 1ht9 h GLU 51 Cb 0.00 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 1ht9 h GLU 51 CO -0.09 0.84 0.56 1.49 -1.16 0.00 0.00 179.01 180.66 1ht9 h GLU 52 N 0.77 1.11 0.11 2.33 4.81 -0.52 -3.19 114.58 120.00 1ht9 h GLU 52 Ca 0.14 -0.07 -0.27 0.00 -0.13 0.00 0.00 59.36 59.04 1ht9 h GLU 52 Cb 0.49 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 29.62 1ht9 h GLU 52 CO 0.02 0.74 -1.20 -0.07 -0.73 0.00 0.00 179.01 177.77 1ht9 h LEU 53 N 1.15 0.46 -7.35 1.64 3.38 -0.62 -3.39 115.31 110.57 1ht9 h LEU 53 Ca 0.32 -0.47 -0.68 0.00 0.09 0.00 0.00 57.88 57.14 1ht9 h LEU 53 Cb -0.12 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 1ht9 h LEU 53 CO -0.07 1.35 2.42 -0.67 0.09 0.00 0.00 178.44 181.55 1ht9 n ASP 54 N -3.58 4.56 -0.03 -0.43 2.03 0.10 -4.77 116.55 114.43 1ht9 n ASP 54 Ca -0.08 -2.89 -0.03 0.00 0.52 0.00 0.00 54.79 52.31 1ht9 n ASP 54 Cb 1.00 -1.72 0.22 0.00 -0.72 0.00 0.00 41.12 39.90 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 7.23 0.60 -0.17 -0.67 1.57 -1.79 -2.73 116.57 120.61 1ht9 h LYS 55 Ca 0.47 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1ht9 h LYS 55 Cb 0.81 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1ht9 h LYS 55 CO 1.57 0.68 0.00 0.27 -0.57 0.00 0.00 179.45 181.40 1ht9 n ASN 56 N -4.21 2.21 -2.65 0.86 6.94 -1.26 -4.97 115.26 112.17 1ht9 n ASN 56 Ca 0.01 -1.77 -0.21 0.00 -0.02 0.00 0.00 54.58 52.59 1ht9 n ASN 56 Cb 0.31 -0.11 0.02 0.00 -2.36 0.00 0.00 39.78 37.64 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 1.25 -0.44 0.77 4.83 0.00 -1.03 -4.88 105.19 105.68 1ht9 n GLY 57 Ca 0.17 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.10 2.31 -0.18 1.61 5.68 -1.26 -4.94 116.55 117.67 1ht9 n ASP 58 Ca -0.15 -1.81 -0.02 0.00 -0.50 0.00 0.00 54.79 52.31 1ht9 n ASP 58 Cb 0.63 -0.13 -0.01 0.00 -1.14 0.00 0.00 41.12 40.47 1ht9 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ht9 n GLY 59 N 1.27 0.57 3.05 6.12 0.00 -1.26 -5.01 105.19 109.93 1ht9 n GLY 59 Ca 0.17 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.53 0.81 -0.27 1.61 0.41 -1.26 -5.13 118.70 113.34 1ht9 s GLU 60 Ca 0.00 -0.40 -0.08 0.00 -0.41 0.00 0.00 54.97 54.09 1ht9 s GLU 60 Cb 0.00 -0.78 -0.02 0.00 -1.78 0.00 0.00 34.13 31.54 1ht9 s GLU 60 CO 0.00 0.21 0.09 0.08 -0.49 0.00 0.00 175.26 175.15 1ht9 s VAL 61 N -0.31 4.35 0.72 2.63 1.01 -1.26 -4.78 120.40 122.76 1ht9 s VAL 61 Ca 0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 1ht9 s VAL 61 Cb -0.04 -3.09 0.08 0.00 0.00 0.00 0.00 36.38 33.33 1ht9 s VAL 61 CO -0.00 0.26 1.03 -0.94 0.00 0.00 0.00 175.10 175.45 1ht9 s SER 62 N 1.61 4.61 0.25 3.32 1.04 -1.26 -4.84 113.70 118.42 1ht9 s SER 62 Ca 0.06 0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.74 1ht9 s SER 62 Cb -0.16 -0.88 0.27 0.00 0.10 0.00 0.00 66.02 65.35 1ht9 s SER 62 CO 0.04 -1.72 1.91 0.15 0.98 0.00 0.00 173.24 174.60 1ht9 h PHE 63 N -0.66 1.19 -0.70 5.02 3.57 -1.98 0.68 116.94 124.06 1ht9 h PHE 63 Ca -0.43 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.05 1ht9 h PHE 63 Cb 1.30 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1ht9 h PHE 63 CO 0.12 0.72 0.25 1.05 -2.23 0.00 0.00 178.31 178.21 1ht9 h GLU 64 N 1.26 1.05 -0.50 1.11 9.09 -2.01 -2.18 114.58 122.39 1ht9 h GLU 64 Ca 0.36 -0.20 -0.07 0.00 0.05 0.00 0.00 59.36 59.51 1ht9 h GLU 64 Cb -0.08 -0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 26.83 1ht9 h GLU 64 CO -0.10 0.88 0.04 0.93 0.05 0.00 0.00 179.01 180.81 1ht9 h GLU 65 N 1.02 0.82 0.00 1.06 5.08 -1.70 -3.05 114.58 117.81 1ht9 h GLU 65 Ca 0.23 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1ht9 h GLU 65 Cb 0.24 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1ht9 h GLU 65 CO -0.01 0.80 -0.19 0.35 -1.00 0.00 0.00 179.01 178.96 1ht9 h PHE 66 N 0.77 0.00 -0.59 4.33 3.04 -0.37 -3.08 116.94 121.05 1ht9 h PHE 66 Ca 0.16 0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.23 1ht9 h PHE 66 Cb 0.41 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 1ht9 h PHE 66 CO 0.02 0.19 0.40 1.96 -2.02 0.00 0.00 178.31 178.86 1ht9 h GLN 67 N 0.00 0.24 -0.83 1.11 1.08 -1.30 0.69 115.11 116.11 1ht9 h GLN 67 Ca -0.00 -0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.30 1ht9 h GLN 67 Cb 0.47 -0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.76 1ht9 h GLN 67 CO 0.02 0.16 0.45 0.28 -0.95 0.00 0.00 178.83 178.79 1ht9 h VAL 68 N 0.25 0.82 0.01 -0.54 2.07 -1.73 -1.37 116.25 115.75 1ht9 h VAL 68 Ca 0.28 -0.24 -0.19 0.00 0.82 0.00 0.00 66.70 67.37 1ht9 h VAL 68 Cb 0.76 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1ht9 h VAL 68 CO -0.06 0.13 -0.88 0.25 0.02 0.00 0.00 177.57 177.03 1ht9 h LEU 69 N 0.70 0.06 -0.99 2.57 5.85 -1.09 -3.20 115.31 119.20 1ht9 h LEU 69 Ca 0.43 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 1ht9 h LEU 69 Cb 0.50 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1ht9 h LEU 69 CO -0.30 0.90 0.20 0.58 -0.34 0.00 0.00 178.44 179.48 1ht9 h VAL 70 N 0.02 1.23 0.00 1.05 2.07 -0.80 -2.55 116.25 117.28 1ht9 h VAL 70 Ca -0.02 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1ht9 h VAL 70 Cb 1.54 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1ht9 h VAL 70 CO 0.12 0.30 -0.14 0.11 0.02 0.00 0.00 177.57 177.98 1ht9 h LYS 71 N 0.91 0.00 0.00 1.57 1.57 -1.27 -1.33 116.57 118.02 1ht9 h LYS 71 Ca 0.21 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.85 1ht9 h LYS 71 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1ht9 h LYS 71 CO -0.01 0.14 -0.64 -0.22 -0.57 0.00 0.00 179.45 178.16 1ht9 h LYS 72 N 0.00 0.00 0.00 3.15 3.64 -1.46 -3.38 116.57 118.52 1ht9 h LYS 72 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ht9 h LYS 72 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1ht9 h LYS 72 CO 0.02 0.62 0.00 0.44 -2.27 0.00 0.00 179.45 178.26 1ht9 n ILE 73 N -3.25 0.00 -4.22 2.00 -5.35 -1.07 -5.07 119.36 102.40 1ht9 n ILE 73 Ca 0.01 -0.47 -0.17 0.00 -0.27 0.00 0.00 62.75 61.85 1ht9 n ILE 73 Cb 0.79 1.06 -0.11 0.00 -1.74 0.00 0.00 39.64 39.63 1ht9 n ILE 73 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ht9 s SER 74 N -0.14 1.84 0.00 7.28 0.15 -0.52 -5.10 113.70 117.21 1ht9 s SER 74 Ca 0.00 -0.77 0.03 0.00 0.70 0.00 0.00 55.95 55.91 1ht9 s SER 74 Cb 0.00 -0.05 0.03 0.00 -1.71 0.00 0.00 66.02 64.28 1ht9 s SER 74 CO 0.00 -0.15 0.60 0.00 1.20 0.00 0.00 173.24 174.89