#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dhf s ASN 5 N 0.00 5.37 -0.03 1.45 0.01 0.32 -2.87 114.94 119.19 1dhf s ASN 5 Ca 0.00 -0.12 0.08 0.00 -0.71 0.00 0.00 52.86 52.11 1dhf s ASN 5 Cb 0.00 -1.37 -0.02 0.00 0.41 0.00 0.00 41.25 40.27 1dhf s ASN 5 CO 0.00 0.13 -0.25 0.00 -1.51 0.00 0.00 177.10 175.46 1dhf s ILE 7 N -0.55 1.03 -0.08 0.00 2.07 -0.87 0.01 121.20 122.80 1dhf s ILE 7 Ca 0.08 -0.68 -0.30 0.00 -1.41 0.00 0.00 60.65 58.34 1dhf s ILE 7 Cb -0.11 -0.88 0.10 0.00 0.13 0.00 0.00 42.46 41.70 1dhf s ILE 7 CO -0.00 0.19 0.86 0.54 -1.91 0.00 0.00 174.94 174.62 1dhf s VAL 8 N -0.47 0.00 -0.11 4.00 0.11 -0.71 -4.54 120.40 118.68 1dhf s VAL 8 Ca 0.04 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1dhf s VAL 8 Cb -0.06 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1dhf s VAL 8 CO 0.00 0.00 -0.21 0.00 -3.33 0.00 0.00 175.10 171.56 1dhf s ALA 9 N -1.60 1.99 0.02 1.54 0.00 -1.26 -1.51 121.76 120.94 1dhf s ALA 9 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1dhf s ALA 9 Cb -0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1dhf s ALA 9 CO 0.02 0.13 -0.10 0.14 0.00 0.00 0.00 175.76 175.95 1dhf s VAL 10 N 0.60 0.75 0.97 0.00 -7.23 -0.12 -4.71 120.40 110.66 1dhf s VAL 10 Ca -0.14 -0.66 -0.13 0.00 -1.81 0.00 0.00 61.98 59.25 1dhf s VAL 10 Cb -0.17 -0.68 0.17 0.00 0.56 0.00 0.00 36.38 36.26 1dhf s VAL 10 CO 0.04 0.03 1.13 -0.94 -0.31 0.00 0.00 175.10 175.05 1dhf s SER 11 N -0.70 2.99 0.25 4.85 1.04 -0.66 -1.77 113.70 119.70 1dhf s SER 11 Ca 0.00 0.97 -0.05 0.00 0.48 0.00 0.00 55.95 57.35 1dhf s SER 11 Cb -0.06 -1.52 0.49 0.00 0.10 0.00 0.00 66.02 65.03 1dhf s SER 11 CO 0.00 -2.88 1.64 -0.61 0.98 0.00 0.00 173.24 172.37 1dhf h GLN 12 N -1.72 0.13 0.00 4.02 4.15 -1.26 0.18 115.11 120.61 1dhf h GLN 12 Ca -0.51 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1dhf h GLN 12 Cb 1.33 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1dhf h GLN 12 CO 0.58 0.09 0.00 0.27 -1.93 0.00 0.00 178.83 177.83 1dhf n ASN 13 N -5.31 0.00 -0.32 -0.69 6.94 -1.26 -4.91 115.26 109.71 1dhf n ASN 13 Ca 0.15 -1.79 -0.04 0.00 -0.02 0.00 0.00 54.58 52.87 1dhf n ASN 13 Cb 0.51 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.91 1dhf n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1dhf n MET 14 N -0.57 -0.83 -2.80 -3.83 2.81 0.64 -4.96 117.12 107.59 1dhf n MET 14 Ca 0.03 0.49 -0.34 0.00 -1.81 0.00 0.00 57.70 56.07 1dhf n MET 14 Cb 0.01 -4.29 -0.07 0.00 -0.71 0.00 0.00 33.22 28.17 1dhf n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1dhf s GLY 15 N -2.38 2.50 0.00 3.03 0.00 -1.26 0.49 107.32 109.70 1dhf s GLY 15 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1dhf s GLY 15 CO 0.00 0.77 0.00 0.29 0.00 0.00 0.00 173.10 174.16 1dhf n ILE 16 N -0.33 0.00 -3.95 0.90 -5.35 0.62 -1.65 119.36 109.61 1dhf n ILE 16 Ca 0.06 -0.23 -0.09 0.00 -0.27 0.00 0.00 62.75 62.21 1dhf n ILE 16 Cb 0.53 0.86 -0.07 0.00 -1.74 0.00 0.00 39.64 39.22 1dhf n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1dhf s GLY 17 N -0.68 0.43 -0.30 3.28 0.00 -1.15 -4.59 107.32 104.30 1dhf s GLY 17 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 44.72 43.76 1dhf s GLY 17 CO 0.00 -0.85 0.72 1.25 0.00 0.00 0.00 173.10 174.22 1dhf s LYS 18 N -3.95 0.51 0.00 2.90 2.47 -0.15 -1.43 119.74 120.09 1dhf s LYS 18 Ca 0.15 1.22 0.00 0.00 -1.56 0.00 0.00 55.97 55.78 1dhf s LYS 18 Cb 0.04 0.73 0.00 0.00 -1.46 0.00 0.00 37.83 37.13 1dhf s LYS 18 CO -0.02 -0.24 0.00 0.09 0.16 0.00 0.00 175.35 175.34 1dhf n ASN 19 N 5.35 -2.12 0.00 1.43 3.02 -1.26 0.09 115.26 121.77 1dhf n ASN 19 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1dhf n ASN 19 Cb 0.50 -2.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.17 1dhf n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dhf n GLY 20 N -0.54 0.31 3.87 7.41 0.00 -1.26 -5.07 105.19 109.92 1dhf n GLY 20 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1dhf n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dhf s ASP 21 N -2.19 4.85 0.24 1.61 1.11 0.11 -4.85 116.67 117.55 1dhf s ASP 21 Ca 0.00 -0.94 -0.30 0.00 0.18 0.00 0.00 52.55 51.49 1dhf s ASP 21 Cb 0.00 -0.24 -0.10 0.00 1.07 0.00 0.00 42.92 43.65 1dhf s ASP 21 CO 0.00 -0.80 1.41 -0.76 1.18 0.00 0.00 175.17 176.20 1dhf s LEU 22 N -4.17 4.39 0.06 1.23 1.43 -1.26 -0.98 118.68 119.39 1dhf s LEU 22 Ca 0.44 2.61 0.17 0.00 -1.03 0.00 0.00 54.13 56.32 1dhf s LEU 22 Cb -0.02 -3.62 0.73 0.00 0.03 0.00 0.00 46.19 43.31 1dhf s LEU 22 CO 0.26 -0.66 1.54 -0.81 0.23 0.00 0.00 176.35 176.91 1dhf n PRO 23 N 2.40 0.05 -4.40 1.29 -0.04 -1.26 -4.77 135.00 128.27 1dhf n PRO 23 Ca 0.07 0.28 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 1dhf n PRO 23 Cb 0.41 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 1dhf n PRO 23 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1dhf s TRP 24 N -3.07 2.00 0.73 0.54 -2.14 -1.26 -4.64 118.94 111.10 1dhf s TRP 24 Ca 0.07 -0.45 -0.13 0.00 2.66 0.00 0.00 56.10 58.25 1dhf s TRP 24 Cb 0.10 -0.90 0.04 0.00 -3.10 0.00 0.00 33.47 29.61 1dhf s TRP 24 CO 0.31 0.53 1.13 -1.25 -2.66 0.00 0.00 176.95 175.01 1dhf s PRO 25 N -3.50 2.30 0.24 3.25 0.04 -1.26 -4.90 135.00 131.16 1dhf s PRO 25 Ca 0.25 1.44 -0.31 0.00 0.04 0.00 0.00 61.00 62.42 1dhf s PRO 25 Cb -0.03 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.50 1dhf s PRO 25 CO 0.11 -1.65 1.52 -0.35 0.04 0.00 0.00 177.00 176.66 1dhf n PRO 26 N -2.97 2.30 -3.96 0.56 -0.04 -1.26 -4.96 135.00 124.67 1dhf n PRO 26 Ca 0.11 0.82 -0.31 0.00 -0.04 0.00 0.00 63.50 64.08 1dhf n PRO 26 Cb 0.52 -2.55 -0.14 0.00 -0.04 0.00 0.00 33.50 31.29 1dhf n PRO 26 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dhf s LEU 27 N 0.17 4.68 0.24 1.53 1.43 -1.26 -5.00 118.68 120.47 1dhf s LEU 27 Ca 0.69 -2.48 -0.07 0.00 -1.03 0.00 0.00 54.13 51.24 1dhf s LEU 27 Cb -0.60 -1.66 0.43 0.00 0.03 0.00 0.00 46.19 44.38 1dhf s LEU 27 CO 0.46 -0.34 1.65 -0.09 0.23 0.00 0.00 176.35 178.25 1dhf h ARG 28 N 7.23 0.13 -0.01 1.70 1.12 -1.99 -0.60 114.38 121.96 1dhf h ARG 28 Ca -0.06 -0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 58.63 1dhf h ARG 28 Cb 0.97 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.89 1dhf h ARG 28 CO 0.61 0.09 -0.75 -0.91 -3.11 0.00 0.00 179.97 175.89 1dhf h ASN 29 N 0.14 0.15 -0.24 -3.80 2.35 -1.98 -2.76 115.58 109.44 1dhf h ASN 29 Ca 0.40 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.97 1dhf h ASN 29 Cb 0.70 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1dhf h ASN 29 CO -0.61 0.85 -0.15 -0.08 -1.65 0.00 0.00 177.43 175.78 1dhf h GLU 30 N 0.08 0.53 -0.04 0.81 4.22 -1.81 -1.28 114.58 117.08 1dhf h GLU 30 Ca -0.02 -0.25 -0.05 0.00 0.08 0.00 0.00 59.36 59.12 1dhf h GLU 30 Cb 1.33 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1dhf h GLU 30 CO 0.11 0.81 -0.22 0.74 -2.18 0.00 0.00 179.01 178.27 1dhf h PHE 31 N 0.24 0.08 -0.28 0.92 0.04 -1.13 -2.16 116.94 114.64 1dhf h PHE 31 Ca 0.05 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.69 1dhf h PHE 31 Cb 0.67 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.80 1dhf h PHE 31 CO 0.07 0.30 -0.30 -0.09 -0.60 0.00 0.00 178.31 177.68 1dhf h ARG 32 N 0.07 0.71 -0.58 1.51 1.12 -1.34 -2.05 114.38 113.81 1dhf h ARG 32 Ca 0.01 -0.38 -0.08 0.00 -1.11 0.00 0.00 59.98 58.42 1dhf h ARG 32 Cb 0.44 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.39 1dhf h ARG 32 CO 0.03 1.00 0.05 -0.92 -3.11 0.00 0.00 179.97 177.02 1dhf h TYR 33 N 0.45 1.03 -0.01 2.20 5.03 -0.73 -2.00 116.97 122.94 1dhf h TYR 33 Ca 0.04 -0.14 -0.06 0.00 2.58 0.00 0.00 58.73 61.15 1dhf h TYR 33 Cb 0.88 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 1dhf h TYR 33 CO 0.07 0.90 -0.29 0.35 -1.32 0.00 0.00 178.16 177.87 1dhf h PHE 34 N 0.90 0.02 -0.20 -3.82 3.57 -1.21 -1.47 116.94 114.73 1dhf h PHE 34 Ca 0.18 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.54 1dhf h PHE 34 Cb 0.45 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1dhf h PHE 34 CO 0.03 0.30 -0.39 0.37 -2.23 0.00 0.00 178.31 176.39 1dhf h GLN 35 N 0.02 0.61 0.80 1.11 4.15 -0.69 -2.87 115.11 118.24 1dhf h GLN 35 Ca 0.00 -0.40 -0.04 0.00 0.77 0.00 0.00 58.65 58.99 1dhf h GLN 35 Cb 0.52 0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.26 1dhf h GLN 35 CO 0.04 1.01 -0.38 -0.09 -1.93 0.00 0.00 178.83 177.47 1dhf h ARG 36 N 0.29 -1.04 -0.38 1.69 2.43 -1.20 -2.30 114.38 113.87 1dhf h ARG 36 Ca 0.01 0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1dhf h ARG 36 Cb 0.99 0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 30.69 1dhf h ARG 36 CO 0.09 -0.69 -0.17 0.52 -1.51 0.00 0.00 179.97 178.21 1dhf h MET 37 N -1.19 -0.09 0.00 0.20 2.86 -1.39 0.40 114.93 115.70 1dhf h MET 37 Ca -0.11 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1dhf h MET 37 Cb 0.82 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.50 1dhf h MET 37 CO 0.18 -0.06 -0.05 1.79 1.06 0.00 0.00 176.91 179.82 1dhf h THR 38 N -0.10 0.11 0.08 2.22 1.35 -1.61 -3.31 112.91 111.66 1dhf h THR 38 Ca 0.19 -0.92 -0.31 0.00 -0.55 0.00 0.00 66.41 64.82 1dhf h THR 38 Cb 0.39 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 1dhf h THR 38 CO -0.45 0.05 -1.69 0.74 -0.25 0.00 0.00 175.52 173.93 1dhf h THR 39 N 0.00 0.77 -2.19 6.82 2.02 -1.09 -3.44 112.91 115.80 1dhf h THR 39 Ca -0.00 -2.30 -0.58 0.00 0.77 0.00 0.00 66.41 64.30 1dhf h THR 39 Cb 0.83 2.44 -0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1dhf h THR 39 CO 0.01 0.68 1.41 -0.89 0.37 0.00 0.00 175.52 177.10 1dhf s THR 40 N -2.49 3.13 -0.07 3.16 2.01 0.14 -4.68 115.64 116.84 1dhf s THR 40 Ca -0.24 0.14 -0.14 0.00 0.31 0.00 0.00 61.69 61.75 1dhf s THR 40 Cb 0.06 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 1dhf s THR 40 CO 0.71 -0.09 0.37 -0.55 -0.69 0.00 0.00 174.62 174.36 1dhf s SER 41 N 7.33 6.65 0.29 3.53 0.15 -1.26 -4.94 113.70 125.46 1dhf s SER 41 Ca 0.94 0.78 0.15 0.00 0.70 0.00 0.00 55.95 58.52 1dhf s SER 41 Cb -0.32 -2.22 0.29 0.00 -1.71 0.00 0.00 66.02 62.06 1dhf s SER 41 CO 0.35 0.22 1.55 0.77 1.20 0.00 0.00 173.24 177.33 1dhf h SER 42 N 5.58 0.00 -2.96 5.45 4.64 -1.93 -3.47 113.55 120.87 1dhf h SER 42 Ca -0.47 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.28 1dhf h SER 42 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 1dhf h SER 42 CO 0.67 0.53 -0.35 -0.69 -0.87 0.00 0.00 176.83 176.12 1dhf s VAL 43 N -3.22 5.22 -0.06 0.95 1.01 -1.26 -5.04 120.40 118.00 1dhf s VAL 43 Ca 0.02 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1dhf s VAL 43 Cb 0.10 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1dhf s VAL 43 CO 0.73 -0.05 1.79 -1.61 0.00 0.00 0.00 175.10 175.96 1dhf s GLU 44 N -2.98 4.03 -1.80 2.72 2.02 -1.26 -3.05 118.70 118.38 1dhf s GLU 44 Ca 0.39 2.22 0.00 0.00 0.02 0.00 0.00 54.97 57.60 1dhf s GLU 44 Cb -0.12 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.04 1dhf s GLU 44 CO 0.27 -1.05 0.00 0.41 0.02 0.00 0.00 175.26 174.92 1dhf n GLY 45 N 4.46 0.40 3.72 -1.39 0.00 -1.26 -5.02 105.19 106.10 1dhf n GLY 45 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1dhf n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dhf s LYS 46 N -4.50 2.59 0.28 1.61 -0.14 -1.17 -5.01 119.74 113.40 1dhf s LYS 46 Ca 0.00 -1.05 0.09 0.00 -1.36 0.00 0.00 55.97 53.65 1dhf s LYS 46 Cb 0.00 -2.45 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 1dhf s LYS 46 CO 0.00 0.45 0.04 -0.65 -0.76 0.00 0.00 175.35 174.43 1dhf s GLN 47 N -3.12 2.36 0.07 1.68 -0.21 -0.31 -4.75 119.66 115.37 1dhf s GLN 47 Ca 0.29 -1.42 -0.00 0.00 0.02 0.00 0.00 55.36 54.26 1dhf s GLN 47 Cb -0.09 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 1dhf s GLN 47 CO 0.21 0.32 0.22 -0.80 -2.12 0.00 0.00 175.29 173.12 1dhf s ASN 48 N -3.72 6.36 -0.11 5.90 0.01 -1.26 0.18 114.94 122.31 1dhf s ASN 48 Ca 0.33 0.28 -0.05 0.00 -0.71 0.00 0.00 52.86 52.71 1dhf s ASN 48 Cb -0.06 -1.96 -0.04 0.00 0.41 0.00 0.00 41.25 39.60 1dhf s ASN 48 CO 0.21 0.16 0.07 -0.22 -1.51 0.00 0.00 177.10 175.80 1dhf s LEU 49 N -2.54 3.94 -0.09 0.60 2.96 0.05 -0.87 118.68 122.72 1dhf s LEU 49 Ca 0.35 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.57 1dhf s LEU 49 Cb -0.13 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 1dhf s LEU 49 CO 0.28 0.37 -0.18 0.68 -1.32 0.00 0.00 176.35 176.18 1dhf s VAL 50 N -0.83 2.64 -0.02 1.68 -7.23 0.12 -0.41 120.40 116.34 1dhf s VAL 50 Ca 0.13 -0.84 0.07 0.00 -1.81 0.00 0.00 61.98 59.53 1dhf s VAL 50 Cb -0.12 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 1dhf s VAL 50 CO 0.03 0.55 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.52 1dhf s ILE 51 N 0.01 1.76 0.04 -0.62 1.01 0.54 -1.72 121.20 122.21 1dhf s ILE 51 Ca -0.06 -0.95 -0.26 0.00 0.00 0.00 0.00 60.65 59.38 1dhf s ILE 51 Cb -0.15 -1.46 0.06 0.00 0.01 0.00 0.00 42.46 40.93 1dhf s ILE 51 CO 0.05 0.50 0.60 0.00 0.00 0.00 0.00 174.94 176.08 1dhf s MET 52 N -0.50 1.10 0.67 2.79 0.23 -0.90 -1.09 119.30 121.60 1dhf s MET 52 Ca 0.08 -0.11 -0.07 0.00 -1.03 0.00 0.00 55.69 54.56 1dhf s MET 52 Cb -0.09 0.51 0.04 0.00 -1.53 0.00 0.00 34.83 33.76 1dhf s MET 52 CO -0.01 -0.40 0.99 0.20 -2.03 0.00 0.00 175.02 173.77 1dhf s GLY 53 N -1.87 1.64 0.15 3.16 0.00 0.14 -0.40 107.32 110.14 1dhf s GLY 53 Ca -0.06 -0.74 -0.29 0.00 0.00 0.00 0.00 44.72 43.63 1dhf s GLY 53 CO -0.00 -0.38 1.56 1.70 0.00 0.00 0.00 173.10 175.98 1dhf h LYS 54 N -0.48 -0.29 -1.00 2.90 3.64 -1.85 -1.44 116.57 118.05 1dhf h LYS 54 Ca -0.45 0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.16 1dhf h LYS 54 Cb 1.29 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 33.07 1dhf h LYS 54 CO 0.61 -0.19 0.62 0.87 -2.27 0.00 0.00 179.45 179.09 1dhf h LYS 55 N -0.30 0.60 -0.03 1.90 1.79 -1.95 -1.61 116.57 116.98 1dhf h LYS 55 Ca 0.13 -0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.40 1dhf h LYS 55 Cb 0.57 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1dhf h LYS 55 CO -0.66 0.40 -0.69 1.15 -1.08 0.00 0.00 179.45 178.57 1dhf h THR 56 N 0.62 1.45 -0.06 -0.16 2.02 -1.60 -1.58 112.91 113.61 1dhf h THR 56 Ca 0.58 -2.26 -0.01 0.00 0.77 0.00 0.00 66.41 65.50 1dhf h THR 56 Cb 1.10 2.20 -0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1dhf h THR 56 CO -0.36 0.66 0.01 -0.25 0.37 0.00 0.00 175.52 175.96 1dhf h TRP 57 N 0.09 0.10 0.00 3.16 2.91 -0.95 -2.81 115.95 118.45 1dhf h TRP 57 Ca -0.01 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 1dhf h TRP 57 Cb 1.23 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.85 1dhf h TRP 57 CO 0.01 0.29 -0.03 0.74 -1.03 0.00 0.00 178.44 178.42 1dhf h PHE 58 N -0.12 0.00 -0.01 2.65 0.04 -1.34 -1.52 116.94 116.64 1dhf h PHE 58 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1dhf h PHE 58 Cb 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1dhf h PHE 58 CO 0.00 0.03 -0.03 -1.13 -0.60 0.00 0.00 178.31 176.59 1dhf n SER 59 N -3.48 0.56 -4.77 2.17 3.41 -0.60 -4.78 113.62 106.13 1dhf n SER 59 Ca -0.02 -1.01 -0.38 0.00 -0.26 0.00 0.00 58.87 57.20 1dhf n SER 59 Cb 0.14 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 1dhf n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1dhf s ILE 60 N -2.14 5.04 -0.02 -1.33 1.01 -0.58 -4.99 121.20 118.20 1dhf s ILE 60 Ca 0.39 0.99 -0.36 0.00 0.00 0.00 0.00 60.65 61.68 1dhf s ILE 60 Cb 0.21 -3.81 -0.14 0.00 0.01 0.00 0.00 42.46 38.73 1dhf s ILE 60 CO 0.39 0.44 1.64 -2.65 0.00 0.00 0.00 174.94 174.76 1dhf n PRO 61 N 2.75 1.70 -0.33 2.79 -0.02 -1.26 -4.80 135.00 135.83 1dhf n PRO 61 Ca -0.09 0.62 0.24 0.00 -2.02 0.00 0.00 63.50 62.24 1dhf n PRO 61 Cb 0.52 -2.36 0.46 0.00 -0.02 0.00 0.00 33.50 32.10 1dhf n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1dhf h GLU 62 N 6.74 0.17 0.00 -0.52 4.81 -1.93 0.50 114.58 124.35 1dhf h GLU 62 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1dhf h GLU 62 Cb 1.29 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1dhf h GLU 62 CO 0.89 0.11 0.00 0.36 -0.73 0.00 0.00 179.01 179.64 1dhf n LYS 63 N -5.19 0.58 -0.00 1.92 0.00 -1.26 -1.75 118.16 112.46 1dhf n LYS 63 Ca 0.31 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.66 1dhf n LYS 63 Cb 1.01 -1.29 -0.05 0.00 -0.00 0.00 0.00 35.03 34.70 1dhf n LYS 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1dhf n ASN 64 N -0.79 0.93 -4.73 -5.58 3.02 0.17 -4.99 115.26 103.29 1dhf n ASN 64 Ca 0.08 -0.55 -0.39 0.00 -0.03 0.00 0.00 54.58 53.69 1dhf n ASN 64 Cb 0.04 1.08 -0.05 0.00 -0.61 0.00 0.00 39.78 40.23 1dhf n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1dhf s ARG 65 N -1.92 4.38 0.53 3.52 0.52 -0.72 -2.92 118.95 122.35 1dhf s ARG 65 Ca 0.02 0.73 -0.08 0.00 -0.52 0.00 0.00 55.73 55.87 1dhf s ARG 65 Cb 0.06 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 1dhf s ARG 65 CO 0.33 0.18 0.89 -1.25 0.02 0.00 0.00 175.30 175.47 1dhf s PRO 66 N 0.46 3.59 0.11 3.54 0.04 -1.26 -5.00 135.00 136.48 1dhf s PRO 66 Ca 0.33 0.46 -0.34 0.00 0.04 0.00 0.00 61.00 61.49 1dhf s PRO 66 Cb -0.17 -2.25 -0.13 0.00 0.04 0.00 0.00 34.50 31.99 1dhf s PRO 66 CO 0.16 -0.35 1.67 1.28 0.04 0.00 0.00 177.00 179.80 1dhf n LEU 67 N -2.39 3.33 -4.75 -3.56 4.77 -1.15 -4.87 117.00 108.39 1dhf n LEU 67 Ca 0.03 1.05 -0.40 0.00 -0.03 0.00 0.00 56.01 56.66 1dhf n LEU 67 Cb 0.55 -1.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.15 1dhf n LEU 67 CO 0.55 -0.16 0.71 -0.54 -1.33 0.00 0.00 177.39 176.62 1dhf s LYS 68 N 1.70 4.73 0.00 3.23 3.01 -1.26 -3.57 119.74 127.58 1dhf s LYS 68 Ca 0.81 1.60 0.00 0.00 -1.01 0.00 0.00 55.97 57.37 1dhf s LYS 68 Cb -0.65 -3.28 0.00 0.00 -1.01 0.00 0.00 37.83 32.90 1dhf s LYS 68 CO 0.40 0.32 0.00 0.41 0.51 0.00 0.00 175.35 176.98 1dhf n GLY 69 N 1.66 0.68 3.15 -3.33 0.00 -1.26 -4.96 105.19 101.13 1dhf n GLY 69 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1dhf n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dhf s ARG 70 N -0.25 0.77 -0.01 1.61 0.52 -1.23 -4.49 118.95 115.86 1dhf s ARG 70 Ca 0.00 -1.31 -0.19 0.00 -0.52 0.00 0.00 55.73 53.72 1dhf s ARG 70 Cb 0.00 -0.07 -0.05 0.00 0.52 0.00 0.00 34.95 35.34 1dhf s ARG 70 CO 0.00 -0.05 0.53 0.42 0.02 0.00 0.00 175.30 176.22 1dhf s ILE 71 N -3.72 4.95 -0.15 1.52 1.01 -0.05 -4.80 121.20 119.95 1dhf s ILE 71 Ca 0.11 1.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.84 1dhf s ILE 71 Cb 0.06 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1dhf s ILE 71 CO -0.06 0.46 -0.09 0.20 0.00 0.00 0.00 174.94 175.46 1dhf s ASN 72 N -0.41 4.35 -0.05 3.58 0.02 -1.26 -0.71 114.94 120.46 1dhf s ASN 72 Ca 0.28 -0.26 0.04 0.00 -1.02 0.00 0.00 52.86 51.90 1dhf s ASN 72 Cb -0.18 -1.69 0.00 0.00 0.02 0.00 0.00 41.25 39.40 1dhf s ASN 72 CO 0.15 0.15 -0.16 -0.22 0.02 0.00 0.00 177.10 177.05 1dhf s LEU 73 N 0.46 1.86 -0.14 0.60 0.20 -0.70 -0.34 118.68 120.63 1dhf s LEU 73 Ca -0.07 -0.34 -0.01 0.00 0.69 0.00 0.00 54.13 54.40 1dhf s LEU 73 Cb -0.15 -0.93 -0.02 0.00 -0.43 0.00 0.00 46.19 44.66 1dhf s LEU 73 CO 0.04 0.12 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.43 1dhf s VAL 74 N 0.18 3.28 -0.16 1.68 1.01 -0.56 -2.11 120.40 123.73 1dhf s VAL 74 Ca -0.07 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 1dhf s VAL 74 Cb -0.12 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1dhf s VAL 74 CO 0.03 0.51 0.13 -0.76 0.00 0.00 0.00 175.10 175.01 1dhf s LEU 75 N 0.40 4.29 -0.30 3.92 1.43 0.47 -1.22 118.68 127.67 1dhf s LEU 75 Ca -0.08 0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 53.20 1dhf s LEU 75 Cb -0.15 -2.08 0.17 0.00 0.03 0.00 0.00 46.19 44.15 1dhf s LEU 75 CO 0.05 0.28 1.02 -0.55 0.23 0.00 0.00 176.35 177.38 1dhf s SER 76 N -0.26 -0.52 0.01 2.29 0.15 -0.74 -2.67 113.70 111.97 1dhf s SER 76 Ca 0.11 0.72 0.27 0.00 0.70 0.00 0.00 55.95 57.75 1dhf s SER 76 Cb -0.11 1.57 1.15 0.00 -1.71 0.00 0.00 66.02 66.92 1dhf s SER 76 CO 0.01 -0.10 1.88 0.54 1.20 0.00 0.00 173.24 176.76 1dhf n ARG 77 N 4.86 0.02 -0.07 5.44 5.12 -1.24 -4.18 116.66 126.60 1dhf n ARG 77 Ca -0.09 0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.73 1dhf n ARG 77 Cb 0.53 -1.52 -0.06 0.00 -1.16 0.00 0.00 32.46 30.25 1dhf n ARG 77 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1dhf n GLU 78 N -1.55 0.33 -1.65 5.56 0.28 -1.26 -5.02 120.64 117.33 1dhf n GLU 78 Ca 0.07 0.12 -0.44 0.00 -0.16 0.00 0.00 57.16 56.74 1dhf n GLU 78 Cb 0.33 -1.14 -0.02 0.00 1.43 0.00 0.00 31.44 32.04 1dhf n GLU 78 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1dhf n LEU 79 N -3.37 2.83 0.05 -1.84 4.77 -1.26 -4.90 117.00 113.28 1dhf n LEU 79 Ca -0.28 1.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.78 1dhf n LEU 79 Cb 0.73 -1.40 -0.13 0.00 -2.33 0.00 0.00 43.42 40.30 1dhf n LEU 79 CO 0.07 -0.74 -0.08 0.50 -1.33 0.00 0.00 177.39 175.82 1dhf h LYS 80 N 3.25 0.05 -4.29 3.23 3.11 -1.95 -3.46 116.57 116.51 1dhf h LYS 80 Ca -0.44 -0.09 -0.20 0.00 -2.81 0.00 0.00 60.65 57.11 1dhf h LYS 80 Cb 1.30 0.03 -0.19 0.00 -1.00 0.00 0.00 32.23 32.37 1dhf h LYS 80 CO 0.69 0.92 -0.71 -1.21 -2.81 0.00 0.00 179.45 176.33 1dhf s GLU 81 N -2.67 0.49 0.18 1.90 0.41 -1.26 -5.13 118.70 112.62 1dhf s GLU 81 Ca -0.02 -0.84 -0.31 0.00 -0.41 0.00 0.00 54.97 53.38 1dhf s GLU 81 Cb 0.09 -0.04 -0.10 0.00 -1.78 0.00 0.00 34.13 32.30 1dhf s GLU 81 CO 0.83 -0.02 1.56 -1.25 -0.49 0.00 0.00 175.26 175.88 1dhf s PRO 82 N -2.18 4.22 0.36 0.39 0.04 -1.26 -4.93 135.00 131.64 1dhf s PRO 82 Ca -0.07 2.36 -0.24 0.00 0.04 0.00 0.00 61.00 63.08 1dhf s PRO 82 Cb -0.05 -3.15 -0.13 0.00 0.04 0.00 0.00 34.50 31.21 1dhf s PRO 82 CO -0.02 -0.59 0.67 -2.30 0.04 0.00 0.00 177.00 174.79 1dhf n PRO 83 N 3.77 0.71 -1.54 0.56 -0.02 -1.26 -4.74 135.00 132.47 1dhf n PRO 83 Ca 0.13 0.25 -0.54 0.00 -2.02 0.00 0.00 63.50 61.32 1dhf n PRO 83 Cb 0.39 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.27 1dhf n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dhf n GLN 84 N 0.66 0.63 0.00 -0.52 0.00 -1.26 -2.02 117.38 114.87 1dhf n GLN 84 Ca 0.12 0.23 0.00 0.00 0.00 0.00 0.00 57.00 57.34 1dhf n GLN 84 Cb 0.36 -1.76 0.00 0.00 0.00 0.00 0.00 30.24 28.84 1dhf n GLN 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1dhf n GLY 85 N 2.01 3.19 3.80 2.61 0.00 -1.26 -4.92 105.19 110.62 1dhf n GLY 85 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1dhf n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dhf s ALA 86 N -2.32 2.84 -0.03 4.61 0.00 -0.85 -4.29 121.76 121.70 1dhf s ALA 86 Ca 0.00 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.38 1dhf s ALA 86 Cb 0.00 -3.26 -0.32 0.00 0.00 0.00 0.00 23.12 19.54 1dhf s ALA 86 CO 0.00 -0.43 0.82 0.45 0.00 0.00 0.00 175.76 176.59 1dhf h HIS 87 N 1.33 0.71 -4.07 0.00 3.86 -1.02 -3.47 115.15 112.49 1dhf h HIS 87 Ca -0.49 -0.52 -0.12 0.00 -1.16 0.00 0.00 60.37 58.08 1dhf h HIS 87 Cb 1.22 -0.03 -0.14 0.00 1.06 0.00 0.00 27.41 29.52 1dhf h HIS 87 CO 0.57 1.52 -0.48 -0.06 0.86 0.00 0.00 177.93 180.33 1dhf s PHE 88 N -2.53 0.48 -0.05 2.45 0.40 -0.80 -5.01 117.98 112.92 1dhf s PHE 88 Ca -0.14 -0.89 0.04 0.00 -0.60 0.00 0.00 56.93 55.34 1dhf s PHE 88 Cb 0.03 -0.23 -0.00 0.00 0.51 0.00 0.00 43.02 43.34 1dhf s PHE 88 CO 0.86 -0.56 -0.17 -1.17 0.70 0.00 0.00 175.22 174.88 1dhf s LEU 89 N -2.95 1.89 0.11 -0.37 2.96 -1.26 -1.49 118.68 117.57 1dhf s LEU 89 Ca 0.14 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.75 1dhf s LEU 89 Cb 0.06 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 1dhf s LEU 89 CO -0.04 0.14 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.51 1dhf s SER 90 N 0.16 2.29 0.08 3.68 0.01 -0.36 -4.96 113.70 114.60 1dhf s SER 90 Ca -0.07 -0.74 0.16 0.00 1.31 0.00 0.00 55.95 56.62 1dhf s SER 90 Cb -0.13 -0.11 -0.12 0.00 0.21 0.00 0.00 66.02 65.88 1dhf s SER 90 CO 0.03 -0.03 0.89 0.03 0.41 0.00 0.00 173.24 174.57 1dhf h ARG 91 N 3.82 0.00 -4.60 12.44 2.47 -1.87 -1.96 114.38 124.69 1dhf h ARG 91 Ca -0.43 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.05 1dhf h ARG 91 Cb 1.19 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.36 1dhf h ARG 91 CO 0.44 0.32 -0.63 -1.12 0.56 0.00 0.00 179.97 179.54 1dhf s SER 92 N -5.86 0.33 0.19 7.04 0.01 -1.26 -3.66 113.70 110.49 1dhf s SER 92 Ca -0.02 -1.35 -0.07 0.00 1.31 0.00 0.00 55.95 55.82 1dhf s SER 92 Cb 0.09 0.33 0.10 0.00 0.21 0.00 0.00 66.02 66.75 1dhf s SER 92 CO 0.80 -0.80 1.58 0.25 0.41 0.00 0.00 173.24 175.49 1dhf h LEU 93 N 2.64 0.89 -0.38 2.44 5.85 -1.99 -0.66 115.31 124.11 1dhf h LEU 93 Ca -0.36 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 57.98 1dhf h LEU 93 Cb 1.24 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1dhf h LEU 93 CO 0.55 1.09 0.08 0.44 -0.34 0.00 0.00 178.44 180.26 1dhf h ASP 94 N 0.74 0.59 0.07 1.25 3.32 -1.99 -0.19 116.42 120.21 1dhf h ASP 94 Ca 0.09 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 1dhf h ASP 94 Cb 0.79 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1dhf h ASP 94 CO 0.07 0.69 -0.25 0.44 -1.72 0.00 0.00 179.24 178.46 1dhf h ASP 95 N 0.47 0.30 -0.30 6.45 3.32 -1.95 -1.04 116.42 123.67 1dhf h ASP 95 Ca 0.12 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 56.94 1dhf h ASP 95 Cb 0.34 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1dhf h ASP 95 CO 0.00 0.56 -0.32 0.00 -1.72 0.00 0.00 179.24 177.76 1dhf h ALA 96 N 1.47 0.44 -0.72 3.45 0.00 -0.45 -2.70 119.26 120.75 1dhf h ALA 96 Ca 0.04 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1dhf h ALA 96 Cb 0.59 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1dhf h ALA 96 CO 0.04 0.49 0.23 -0.07 0.00 0.00 0.00 179.25 179.94 1dhf h LEU 97 N 0.50 1.04 0.30 0.00 3.38 -0.84 -3.20 115.31 116.49 1dhf h LEU 97 Ca 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1dhf h LEU 97 Cb 0.90 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1dhf h LEU 97 CO 0.08 0.97 -0.32 0.11 0.09 0.00 0.00 178.44 179.37 1dhf h LYS 98 N 1.06 -0.60 -1.58 1.13 6.56 -1.16 -2.82 116.57 119.17 1dhf h LYS 98 Ca 0.23 0.04 0.50 0.00 -1.06 0.00 0.00 60.65 60.37 1dhf h LYS 98 Cb 0.29 0.14 -0.11 0.00 -0.57 0.00 0.00 32.23 31.98 1dhf h LYS 98 CO -0.01 -0.40 1.07 -0.11 -2.06 0.00 0.00 179.45 177.94 1dhf n LEU 99 N -4.28 0.12 0.06 2.94 7.94 -1.02 0.15 117.00 122.90 1dhf n LEU 99 Ca -0.07 1.19 0.13 0.00 -1.11 0.00 0.00 56.01 56.15 1dhf n LEU 99 Cb 0.29 -0.59 0.49 0.00 0.53 0.00 0.00 43.42 44.14 1dhf n LEU 99 CO 0.16 -1.26 0.91 0.35 -1.11 0.00 0.00 177.39 176.44 1dhf n THR 100 N -4.33 0.38 1.26 1.96 -2.24 -1.06 -2.46 114.28 107.79 1dhf n THR 100 Ca 0.41 -0.12 0.13 0.00 -2.27 0.00 0.00 64.05 62.20 1dhf n THR 100 Cb 1.70 -0.60 0.50 0.00 -2.10 0.00 0.00 70.33 69.83 1dhf n THR 100 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dhf n GLU 101 N -1.92 0.55 -2.30 -0.78 1.02 0.38 -3.32 120.64 114.28 1dhf n GLU 101 Ca 0.06 -0.24 -0.42 0.00 -0.02 0.00 0.00 57.16 56.54 1dhf n GLU 101 Cb 0.37 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 1dhf n GLU 101 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1dhf s GLN 102 N -2.61 4.35 0.09 3.49 -1.52 -1.03 -4.84 119.66 117.59 1dhf s GLN 102 Ca 0.24 1.90 -0.18 0.00 -1.95 0.00 0.00 55.36 55.37 1dhf s GLN 102 Cb 0.19 -3.40 -0.04 0.00 -0.22 0.00 0.00 33.01 29.55 1dhf s GLN 102 CO 0.53 -0.41 1.21 -2.30 -0.25 0.00 0.00 175.29 174.06 1dhf n PRO 103 N 4.43 -0.25 -0.23 2.91 -0.02 -1.26 -0.36 135.00 140.22 1dhf n PRO 103 Ca 0.11 1.19 0.15 0.00 -2.02 0.00 0.00 63.50 62.93 1dhf n PRO 103 Cb 0.44 -1.76 0.45 0.00 -0.02 0.00 0.00 33.50 32.62 1dhf n PRO 103 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1dhf h GLU 104 N 0.00 0.52 0.22 -0.52 4.57 -1.96 -2.64 114.58 114.76 1dhf h GLU 104 Ca 0.09 -0.03 -0.30 0.00 -1.18 0.00 0.00 59.36 57.94 1dhf h GLU 104 Cb 0.24 -0.12 0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1dhf h GLU 104 CO -0.54 0.34 -1.30 -0.07 -1.18 0.00 0.00 179.01 176.27 1dhf h LEU 105 N 0.53 0.76 -0.80 1.64 4.07 -1.06 -3.34 115.31 117.10 1dhf h LEU 105 Ca 0.43 -0.92 0.19 0.00 0.08 0.00 0.00 57.88 57.66 1dhf h LEU 105 Cb 0.88 -0.25 -0.12 0.00 1.08 0.00 0.00 40.66 42.26 1dhf h LEU 105 CO -0.18 1.63 0.23 0.00 -1.08 0.00 0.00 178.44 179.04 1dhf h ALA 106 N 0.14 1.12 0.00 1.53 0.00 -0.35 0.40 119.26 122.10 1dhf h ALA 106 Ca -0.22 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1dhf h ALA 106 Cb 2.02 0.24 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1dhf h ALA 106 CO 0.24 -0.36 0.00 0.27 0.00 0.00 0.00 179.25 179.40 1dhf n ASN 107 N -5.15 0.00 -0.06 0.00 2.04 -1.08 -3.51 115.26 107.49 1dhf n ASN 107 Ca 0.17 -0.56 -0.06 0.00 -0.44 0.00 0.00 54.58 53.69 1dhf n ASN 107 Cb 0.55 -0.12 -0.10 0.00 -2.53 0.00 0.00 39.78 37.58 1dhf n ASN 107 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1dhf n LYS 108 N -1.12 1.90 -3.38 -3.83 5.02 0.13 -4.93 118.16 111.95 1dhf n LYS 108 Ca 0.18 -0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.08 1dhf n LYS 108 Cb 0.15 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 1dhf n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dhf s VAL 109 N -2.30 4.93 0.00 -0.18 1.01 -0.46 -1.16 120.40 122.23 1dhf s VAL 109 Ca -0.07 1.02 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1dhf s VAL 109 Cb 0.04 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1dhf s VAL 109 CO 0.50 0.53 0.00 -0.67 0.00 0.00 0.00 175.10 175.46 1dhf n ASP 110 N 2.06 0.00 -4.83 3.32 2.03 0.49 -4.82 116.55 114.79 1dhf n ASP 110 Ca -0.11 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.82 1dhf n ASP 110 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 1dhf n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1dhf s MET 111 N 0.00 3.87 -0.24 -0.67 -1.94 -1.26 -4.93 119.30 114.12 1dhf s MET 111 Ca 0.00 0.27 -0.10 0.00 -1.71 0.00 0.00 55.69 54.15 1dhf s MET 111 Cb 0.00 -3.24 -0.05 0.00 2.01 0.00 0.00 34.83 33.55 1dhf s MET 111 CO 0.00 0.65 0.15 0.08 -0.01 0.00 0.00 175.02 175.89 1dhf s VAL 112 N -0.86 5.22 -0.09 -6.03 1.01 -1.26 -0.77 120.40 117.61 1dhf s VAL 112 Ca 0.21 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1dhf s VAL 112 Cb -0.15 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1dhf s VAL 112 CO 0.10 0.34 -0.20 0.26 0.00 0.00 0.00 175.10 175.60 1dhf s TRP 113 N 1.16 2.62 -0.25 5.22 0.52 0.45 -0.52 118.94 128.15 1dhf s TRP 113 Ca 0.07 -0.76 -0.09 0.00 0.02 0.00 0.00 56.10 55.34 1dhf s TRP 113 Cb -0.14 -1.72 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1dhf s TRP 113 CO 0.05 -0.25 0.11 0.42 0.02 0.00 0.00 176.95 177.30 1dhf s ILE 114 N 0.12 4.81 -0.23 2.03 1.09 0.78 -0.34 121.20 129.46 1dhf s ILE 114 Ca -0.10 -0.01 0.15 0.00 -1.10 0.00 0.00 60.65 59.59 1dhf s ILE 114 Cb -0.16 -3.25 0.36 0.00 -1.06 0.00 0.00 42.46 38.36 1dhf s ILE 114 CO 0.06 0.34 1.26 1.33 -0.10 0.00 0.00 174.94 177.82 1dhf n VAL 115 N 4.64 1.85 0.00 2.92 0.24 -0.25 -2.06 118.33 125.67 1dhf n VAL 115 Ca -0.15 -1.83 0.00 0.00 -2.04 0.00 0.00 64.34 60.32 1dhf n VAL 115 Cb 0.52 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 1dhf n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dhf n GLY 116 N -0.73 1.82 0.00 7.63 0.00 -1.26 -4.96 105.19 107.69 1dhf n GLY 116 Ca 0.16 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1dhf n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dhf n GLY 117 N -0.13 0.93 0.42 -0.02 0.00 -1.26 0.25 105.19 105.38 1dhf n GLY 117 Ca 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 1dhf n GLY 117 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1dhf h SER 118 N 0.00 -1.98 -0.23 1.61 0.87 -1.96 0.21 113.55 112.06 1dhf h SER 118 Ca 0.00 0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1dhf h SER 118 Cb 0.00 0.87 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1dhf h SER 118 CO 0.00 -0.29 0.13 0.77 -0.53 0.00 0.00 176.83 176.91 1dhf h SER 119 N -0.13 0.30 0.21 6.23 4.64 -1.97 0.18 113.55 123.01 1dhf h SER 119 Ca 0.15 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.25 1dhf h SER 119 Cb 0.49 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1dhf h SER 119 CO -0.83 0.26 -0.82 0.58 -0.87 0.00 0.00 176.83 175.15 1dhf h VAL 120 N 0.35 1.37 -0.71 0.95 2.07 -1.34 -1.52 116.25 117.42 1dhf h VAL 120 Ca 0.09 -2.22 -0.05 0.00 0.82 0.00 0.00 66.70 65.35 1dhf h VAL 120 Cb 0.03 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1dhf h VAL 120 CO -0.01 0.67 0.25 1.88 0.02 0.00 0.00 177.57 180.37 1dhf h TYR 121 N 0.31 1.11 0.18 1.57 0.05 0.86 -2.37 116.97 118.68 1dhf h TYR 121 Ca -0.05 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.65 1dhf h TYR 121 Cb 1.42 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 38.80 1dhf h TYR 121 CO 0.06 0.86 -0.30 -0.22 -1.05 0.00 0.00 178.16 177.52 1dhf h LYS 122 N 1.05 -0.54 0.17 4.88 3.64 -0.86 -0.41 116.57 124.50 1dhf h LYS 122 Ca 0.24 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1dhf h LYS 122 Cb 0.26 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1dhf h LYS 122 CO -0.01 -0.36 -0.30 0.93 -2.27 0.00 0.00 179.45 177.44 1dhf h GLU 123 N -0.56 -0.53 -0.46 1.90 5.08 -1.15 -3.17 114.58 115.70 1dhf h GLU 123 Ca 0.01 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1dhf h GLU 123 Cb 0.55 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1dhf h GLU 123 CO -0.13 -0.35 -0.03 0.00 -1.00 0.00 0.00 179.01 177.50 1dhf h ALA 124 N 0.11 1.09 0.00 3.43 0.00 -1.34 -2.71 119.26 119.83 1dhf h ALA 124 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1dhf h ALA 124 Cb 0.55 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1dhf h ALA 124 CO -0.14 0.57 -0.08 0.52 0.00 0.00 0.00 179.25 180.13 1dhf h MET 125 N 0.72 0.00 0.00 0.00 2.86 -1.04 -2.27 114.93 115.20 1dhf h MET 125 Ca 0.14 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.56 1dhf h MET 125 Cb 0.48 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1dhf h MET 125 CO 0.02 0.08 -1.50 -0.97 1.06 0.00 0.00 176.91 175.60 1dhf h ASN 126 N 0.00 0.00 -1.47 1.22 -0.00 -1.54 -3.48 115.58 110.32 1dhf h ASN 126 Ca -0.00 0.00 -0.74 0.00 -0.00 0.00 0.00 56.30 55.56 1dhf h ASN 126 Cb 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.58 1dhf h ASN 126 CO 0.01 0.78 0.95 1.57 -0.00 0.00 0.00 177.43 180.74 1dhf n HIS 127 N -2.98 2.01 -1.68 0.67 -0.00 -0.86 -4.88 115.22 107.50 1dhf n HIS 127 Ca -0.12 0.53 -0.45 0.00 0.46 0.00 0.00 57.72 58.14 1dhf n HIS 127 Cb 0.93 -2.46 -0.03 0.00 -0.12 0.00 0.00 29.99 28.32 1dhf n HIS 127 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1dhf n PRO 128 N 5.66 2.11 0.00 1.57 -0.02 -1.26 -4.84 135.00 138.22 1dhf n PRO 128 Ca 0.28 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1dhf n PRO 128 Cb 0.13 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 1dhf n PRO 128 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dhf n GLY 129 N 2.29 0.87 3.64 -1.23 0.00 -1.26 -5.03 105.19 104.48 1dhf n GLY 129 Ca 0.12 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 1dhf n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dhf s HIS 130 N -0.99 3.15 -0.02 1.61 5.65 -1.26 -4.22 115.29 119.20 1dhf s HIS 130 Ca 0.00 1.22 -0.03 0.00 0.25 0.00 0.00 55.06 56.50 1dhf s HIS 130 Cb 0.00 -3.64 0.01 0.00 -1.18 0.00 0.00 32.58 27.76 1dhf s HIS 130 CO 0.00 -0.78 0.08 -1.17 -0.65 0.00 0.00 174.74 172.22 1dhf s LEU 131 N 3.62 1.71 0.07 8.88 2.96 -0.96 -3.78 118.68 131.19 1dhf s LEU 131 Ca 0.46 0.08 0.09 0.00 -0.22 0.00 0.00 54.13 54.54 1dhf s LEU 131 Cb -0.13 0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.83 1dhf s LEU 131 CO 0.14 -0.08 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.33 1dhf s LYS 132 N -0.20 1.80 -0.15 1.98 1.02 -1.14 -1.15 119.74 121.91 1dhf s LYS 132 Ca -0.03 -1.13 -0.02 0.00 0.02 0.00 0.00 55.97 54.82 1dhf s LYS 132 Cb -0.02 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.22 1dhf s LYS 132 CO 0.00 0.50 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.33 1dhf s LEU 133 N -1.64 2.87 -0.41 3.17 1.43 0.83 -1.87 118.68 123.07 1dhf s LEU 133 Ca 0.14 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 1dhf s LEU 133 Cb -0.10 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1dhf s LEU 133 CO 0.05 0.14 0.26 -0.36 0.23 0.00 0.00 176.35 176.68 1dhf s PHE 134 N 0.52 3.26 -0.17 0.29 0.40 0.10 -1.75 117.98 120.64 1dhf s PHE 134 Ca -0.07 -0.98 -0.01 0.00 -0.60 0.00 0.00 56.93 55.28 1dhf s PHE 134 Cb -0.15 -2.67 -0.00 0.00 0.51 0.00 0.00 43.02 40.70 1dhf s PHE 134 CO 0.03 -0.70 -0.13 0.08 0.70 0.00 0.00 175.22 175.21 1dhf s VAL 135 N 1.57 2.85 -0.23 -0.44 1.01 0.50 -1.74 120.40 123.92 1dhf s VAL 135 Ca 0.03 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1dhf s VAL 135 Cb -0.21 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1dhf s VAL 135 CO 0.07 0.50 0.25 -0.89 0.00 0.00 0.00 175.10 175.02 1dhf s THR 136 N 0.90 5.29 -0.47 3.92 2.01 -0.57 0.57 115.64 127.29 1dhf s THR 136 Ca -0.03 0.36 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 1dhf s THR 136 Cb -0.15 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.83 1dhf s THR 136 CO -0.01 0.30 0.46 -0.13 -0.69 0.00 0.00 174.62 174.55 1dhf s ARG 137 N 1.26 3.03 -0.80 4.92 1.81 0.33 -0.94 118.95 128.56 1dhf s ARG 137 Ca 0.11 -1.12 -0.20 0.00 -1.72 0.00 0.00 55.73 52.81 1dhf s ARG 137 Cb -0.14 -4.09 0.11 0.00 -0.45 0.00 0.00 34.95 30.38 1dhf s ARG 137 CO 0.06 -1.04 1.01 0.42 -0.68 0.00 0.00 175.30 175.07 1dhf s ILE 138 N 1.99 4.65 -0.62 1.52 1.09 -0.73 -1.66 121.20 127.45 1dhf s ILE 138 Ca 0.08 -1.17 -0.24 0.00 -1.10 0.00 0.00 60.65 58.22 1dhf s ILE 138 Cb -0.22 -4.70 -0.21 0.00 -1.06 0.00 0.00 42.46 36.28 1dhf s ILE 138 CO 0.09 -1.42 1.85 0.23 -0.10 0.00 0.00 174.94 175.59 1dhf n MET 139 N 6.77 1.10 0.00 2.79 2.81 -0.83 -1.95 117.12 127.81 1dhf n MET 139 Ca 0.11 -1.69 0.00 0.00 -1.81 0.00 0.00 57.70 54.31 1dhf n MET 139 Cb 0.47 -2.91 0.00 0.00 -0.71 0.00 0.00 33.22 30.07 1dhf n MET 139 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1dhf n GLN 140 N 7.39 0.00 -2.26 0.03 7.27 -1.26 -4.68 117.38 123.87 1dhf n GLN 140 Ca 0.48 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 57.13 1dhf n GLN 140 Cb 0.42 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.04 1dhf n GLN 140 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1dhf s ASP 141 N 0.00 6.90 0.02 1.69 1.11 -1.26 -2.91 116.67 122.22 1dhf s ASP 141 Ca 0.00 2.14 0.03 0.00 0.18 0.00 0.00 52.55 54.90 1dhf s ASP 141 Cb 0.00 -2.57 -0.02 0.00 1.07 0.00 0.00 42.92 41.40 1dhf s ASP 141 CO 0.00 -0.64 -0.09 -0.36 1.18 0.00 0.00 175.17 175.26 1dhf s PHE 142 N 1.73 0.81 -0.33 4.23 0.08 -1.26 -5.01 117.98 118.22 1dhf s PHE 142 Ca 0.63 -0.30 -0.29 0.00 0.12 0.00 0.00 56.93 57.09 1dhf s PHE 142 Cb -0.32 -0.49 0.01 0.00 -0.57 0.00 0.00 43.02 41.65 1dhf s PHE 142 CO 0.28 -0.02 1.17 -2.00 -0.10 0.00 0.00 175.22 174.55 1dhf s GLU 143 N -0.87 3.97 0.28 0.44 2.12 -1.26 -4.82 118.70 118.55 1dhf s GLU 143 Ca -0.01 1.08 0.03 0.00 0.36 0.00 0.00 54.97 56.42 1dhf s GLU 143 Cb -0.06 -3.81 -0.06 0.00 0.26 0.00 0.00 34.13 30.46 1dhf s GLU 143 CO 0.00 -1.04 0.07 -1.12 -0.54 0.00 0.00 175.26 172.63 1dhf s SER 144 N 2.18 1.72 0.00 -1.70 0.01 -1.26 -4.77 113.70 109.88 1dhf s SER 144 Ca 0.50 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1dhf s SER 144 Cb -0.13 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1dhf s SER 144 CO 0.20 -0.65 0.14 -0.90 0.41 0.00 0.00 173.24 172.44 1dhf n ASP 145 N -0.54 0.28 -4.01 2.44 5.75 -0.51 -4.97 116.55 114.99 1dhf n ASP 145 Ca -0.02 -0.61 -0.23 0.00 -0.01 0.00 0.00 54.79 53.92 1dhf n ASP 145 Cb 0.66 0.55 -0.16 0.00 -1.03 0.00 0.00 41.12 41.13 1dhf n ASP 145 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1dhf s THR 146 N -0.55 1.01 0.17 2.12 2.01 -1.19 -5.01 115.64 114.20 1dhf s THR 146 Ca 0.00 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.66 1dhf s THR 146 Cb 0.00 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1dhf s THR 146 CO 0.00 0.32 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.72 1dhf s PHE 147 N 0.60 1.74 0.18 4.92 0.40 -1.26 -0.28 117.98 124.28 1dhf s PHE 147 Ca -0.12 -0.50 -0.13 0.00 -0.60 0.00 0.00 56.93 55.58 1dhf s PHE 147 Cb -0.14 -0.86 -0.07 0.00 0.51 0.00 0.00 43.02 42.45 1dhf s PHE 147 CO 0.03 0.31 0.56 0.12 0.70 0.00 0.00 175.22 176.94 1dhf s PHE 148 N -2.24 3.55 0.92 0.36 5.36 0.18 -4.81 117.98 121.29 1dhf s PHE 148 Ca 0.16 1.02 -0.10 0.00 -0.96 0.00 0.00 56.93 57.05 1dhf s PHE 148 Cb -0.05 -2.35 0.15 0.00 -0.34 0.00 0.00 43.02 40.43 1dhf s PHE 148 CO 0.06 0.37 1.13 -2.14 -1.46 0.00 0.00 175.22 173.19 1dhf s PRO 149 N -2.22 1.00 0.36 10.12 0.02 -1.26 -4.91 135.00 138.10 1dhf s PRO 149 Ca 0.41 1.47 -0.28 0.00 0.02 0.00 0.00 61.00 62.62 1dhf s PRO 149 Cb -0.14 -1.73 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 1dhf s PRO 149 CO 0.20 -2.62 1.27 -1.83 -0.33 0.00 0.00 177.00 173.69 1dhf s GLU 150 N -4.66 4.23 -0.55 5.54 1.03 -1.26 -4.96 118.70 118.07 1dhf s GLU 150 Ca 0.66 2.12 -0.19 0.00 0.03 0.00 0.00 54.97 57.60 1dhf s GLU 150 Cb -0.22 -2.94 0.08 0.00 -0.80 0.00 0.00 34.13 30.25 1dhf s GLU 150 CO 0.58 -0.26 0.66 0.42 -1.33 0.00 0.00 175.26 175.33 1dhf s ILE 151 N -1.21 4.86 -0.26 1.83 1.01 -1.26 -5.01 121.20 121.15 1dhf s ILE 151 Ca 0.52 -0.79 -0.37 0.00 0.00 0.00 0.00 60.65 60.01 1dhf s ILE 151 Cb -0.38 -4.40 -0.13 0.00 0.01 0.00 0.00 42.46 37.57 1dhf s ILE 151 CO 0.49 -0.97 1.97 -0.67 0.00 0.00 0.00 174.94 175.76 1dhf n ASP 152 N 6.22 2.55 -1.59 3.58 -0.08 -1.26 -4.82 116.55 121.15 1dhf n ASP 152 Ca -0.08 0.77 -0.03 0.00 -1.51 0.00 0.00 54.79 53.94 1dhf n ASP 152 Cb 0.44 -1.25 0.22 0.00 2.34 0.00 0.00 41.12 42.87 1dhf n ASP 152 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1dhf n LEU 153 N 7.58 4.71 -0.12 -2.67 -0.00 -1.26 -0.92 117.00 124.32 1dhf n LEU 153 Ca 0.32 -2.43 -0.20 0.00 -0.00 0.00 0.00 56.01 53.70 1dhf n LEU 153 Cb 0.21 -0.67 -0.10 0.00 -0.00 0.00 0.00 43.42 42.87 1dhf n LEU 153 CO 0.77 0.64 -1.27 1.21 -0.00 0.00 0.00 177.39 178.74 1dhf n GLU 154 N 0.04 0.54 0.01 1.96 0.00 -1.26 -4.72 120.64 117.20 1dhf n GLU 154 Ca 0.27 0.17 -0.22 0.00 0.00 0.00 0.00 57.16 57.38 1dhf n GLU 154 Cb 1.04 -1.40 -0.14 0.00 0.00 0.00 0.00 31.44 30.94 1dhf n GLU 154 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1dhf h LYS 155 N -0.39 0.26 -6.12 5.31 1.79 -1.93 -3.48 116.57 112.01 1dhf h LYS 155 Ca -0.55 -0.44 -0.62 0.00 -2.18 0.00 0.00 60.65 56.86 1dhf h LYS 155 Cb 1.67 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 32.41 1dhf h LYS 155 CO -0.21 1.21 -0.57 0.71 -1.08 0.00 0.00 179.45 179.51 1dhf s TYR 156 N -2.50 3.26 -0.00 -1.35 2.02 -0.10 -4.46 117.35 114.22 1dhf s TYR 156 Ca -0.20 0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.64 1dhf s TYR 156 Cb 0.05 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 39.96 1dhf s TYR 156 CO 0.77 0.54 -0.13 0.15 -1.57 0.00 0.00 175.55 175.31 1dhf s LYS 157 N -2.52 1.01 0.05 -0.62 -0.14 0.25 -4.57 119.74 113.20 1dhf s LYS 157 Ca 0.31 -0.51 -0.30 0.00 -1.36 0.00 0.00 55.97 54.11 1dhf s LYS 157 Cb -0.12 -0.98 -0.04 0.00 -1.68 0.00 0.00 37.83 35.00 1dhf s LYS 157 CO 0.24 0.26 0.98 -1.17 -0.76 0.00 0.00 175.35 174.90 1dhf s LEU 158 N -0.45 4.42 -0.56 3.17 0.20 -1.26 0.39 118.68 124.59 1dhf s LEU 158 Ca 0.04 1.72 -0.19 0.00 0.69 0.00 0.00 54.13 56.40 1dhf s LEU 158 Cb -0.05 -3.58 0.09 0.00 -0.43 0.00 0.00 46.19 42.21 1dhf s LEU 158 CO -0.00 -0.18 0.66 -0.76 -0.29 0.00 0.00 176.35 175.77 1dhf s LEU 159 N 0.59 5.27 0.00 -0.68 1.43 0.24 -4.89 118.68 120.64 1dhf s LEU 159 Ca 0.50 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1dhf s LEU 159 Cb -0.22 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1dhf s LEU 159 CO 0.29 -1.01 0.64 -2.65 0.23 0.00 0.00 176.35 173.85 1dhf n PRO 160 N 6.20 0.00 -3.78 1.29 -0.02 -1.26 -4.41 135.00 133.02 1dhf n PRO 160 Ca -0.09 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.47 1dhf n PRO 160 Cb 0.43 -1.58 -0.09 0.00 -0.02 0.00 0.00 33.50 32.25 1dhf n PRO 160 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1dhf s GLU 161 N -2.29 0.59 -0.28 -0.52 1.03 -1.26 -5.04 118.70 110.92 1dhf s GLU 161 Ca 0.00 -0.13 -0.03 0.00 0.03 0.00 0.00 54.97 54.83 1dhf s GLU 161 Cb 0.00 0.26 0.16 0.00 -0.80 0.00 0.00 34.13 33.76 1dhf s GLU 161 CO 0.00 -0.15 0.55 -0.47 -1.33 0.00 0.00 175.26 173.86 1dhf s TYR 162 N -1.11 -1.37 -0.20 4.83 5.04 -1.26 -5.05 117.35 118.23 1dhf s TYR 162 Ca -0.12 1.64 -0.34 0.00 -2.44 0.00 0.00 57.07 55.82 1dhf s TYR 162 Cb -0.05 0.49 -0.16 0.00 0.35 0.00 0.00 41.96 42.59 1dhf s TYR 162 CO 0.03 -0.79 1.04 -2.30 -1.34 0.00 0.00 175.55 172.20 1dhf n PRO 163 N 5.42 0.00 0.00 4.97 -0.01 -1.26 0.53 135.00 144.65 1dhf n PRO 163 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.45 1dhf n PRO 163 Cb 0.50 -1.17 0.00 0.00 -0.01 0.00 0.00 33.50 32.82 1dhf n PRO 163 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1dhf n GLY 164 N 2.15 2.86 3.57 -1.23 0.00 -1.26 -5.00 105.19 106.28 1dhf n GLY 164 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1dhf n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dhf s VAL 165 N -2.47 5.17 0.76 1.61 1.01 0.19 -5.07 120.40 121.60 1dhf s VAL 165 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 1dhf s VAL 165 Cb 0.00 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1dhf s VAL 165 CO 0.00 0.26 1.14 0.18 0.00 0.00 0.00 175.10 176.68 1dhf n LEU 166 N 5.03 4.35 -0.06 3.92 4.77 -1.26 -4.50 117.00 129.24 1dhf n LEU 166 Ca -0.14 0.64 -0.07 0.00 -0.03 0.00 0.00 56.01 56.40 1dhf n LEU 166 Cb 0.52 -1.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.04 1dhf n LEU 166 CO 0.33 -1.71 -0.92 -1.20 -1.33 0.00 0.00 177.39 172.55 1dhf n SER 167 N -2.60 2.35 -4.89 -1.43 7.64 -1.26 -4.64 113.62 108.80 1dhf n SER 167 Ca 0.14 -0.03 -0.29 0.00 1.01 0.00 0.00 58.87 59.69 1dhf n SER 167 Cb 0.50 0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 64.10 1dhf n SER 167 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1dhf s ASP 168 N -4.81 6.46 -0.05 6.43 3.68 -1.26 -4.88 116.67 122.24 1dhf s ASP 168 Ca -0.11 1.00 -0.33 0.00 2.13 0.00 0.00 52.55 55.24 1dhf s ASP 168 Cb 0.04 -2.27 -0.11 0.00 -1.45 0.00 0.00 42.92 39.13 1dhf s ASP 168 CO 0.44 -0.38 1.91 0.55 0.13 0.00 0.00 175.17 177.82 1dhf n VAL 169 N -1.38 0.65 -3.14 1.11 3.14 -1.26 -4.87 118.33 112.58 1dhf n VAL 169 Ca 0.01 -0.12 -0.26 0.00 -2.96 0.00 0.00 64.34 61.02 1dhf n VAL 169 Cb 0.54 -2.02 -0.01 0.00 -1.06 0.00 0.00 33.84 31.29 1dhf n VAL 169 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1dhf s GLN 170 N 4.21 3.53 -0.11 1.45 -1.52 0.13 -4.91 119.66 122.46 1dhf s GLN 170 Ca 0.92 -0.10 -0.07 0.00 -1.95 0.00 0.00 55.36 54.15 1dhf s GLN 170 Cb -0.61 -2.57 0.04 0.00 -0.22 0.00 0.00 33.01 29.65 1dhf s GLN 170 CO 0.49 0.05 0.27 -2.00 -0.25 0.00 0.00 175.29 173.85 1dhf s GLU 171 N -4.30 0.26 -0.12 2.91 2.12 -1.25 -0.62 118.70 117.71 1dhf s GLU 171 Ca 0.43 0.49 -0.06 0.00 0.36 0.00 0.00 54.97 56.19 1dhf s GLU 171 Cb -0.10 -0.00 0.05 0.00 0.26 0.00 0.00 34.13 34.34 1dhf s GLU 171 CO 0.38 -0.11 0.27 -2.00 -0.54 0.00 0.00 175.26 173.25 1dhf s GLU 172 N 0.83 0.22 -1.52 4.30 2.12 0.32 -4.87 118.70 120.09 1dhf s GLU 172 Ca -0.06 0.60 -0.14 0.00 0.36 0.00 0.00 54.97 55.73 1dhf s GLU 172 Cb -0.07 -0.09 0.09 0.00 0.26 0.00 0.00 34.13 34.32 1dhf s GLU 172 CO -0.05 -0.18 0.85 1.63 -0.54 0.00 0.00 175.26 176.96 1dhf n LYS 173 N 4.39 -4.72 -1.62 4.30 5.02 -1.26 0.71 118.16 124.99 1dhf n LYS 173 Ca -0.22 0.55 -0.10 0.00 -2.02 0.00 0.00 58.31 56.52 1dhf n LYS 173 Cb 0.53 -5.39 -0.03 0.00 -0.02 0.00 0.00 35.03 30.12 1dhf n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dhf n GLY 174 N -1.54 0.70 3.25 0.72 0.00 -1.26 -5.00 105.19 102.06 1dhf n GLY 174 Ca 0.03 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1dhf n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dhf s ILE 175 N -2.41 2.73 0.22 -0.61 1.01 0.22 -5.12 121.20 117.25 1dhf s ILE 175 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 1dhf s ILE 175 Cb 0.00 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1dhf s ILE 175 CO 0.00 0.50 0.45 -0.54 0.00 0.00 0.00 174.94 175.35 1dhf s LYS 176 N 1.10 3.59 -0.16 2.79 3.01 -1.26 0.12 119.74 128.93 1dhf s LYS 176 Ca 0.00 -0.14 -0.30 0.00 -1.01 0.00 0.00 55.97 54.52 1dhf s LYS 176 Cb -0.14 -2.76 0.13 0.00 -1.01 0.00 0.00 37.83 34.04 1dhf s LYS 176 CO -0.04 0.35 1.02 1.52 0.51 0.00 0.00 175.35 178.71 1dhf s TYR 177 N -1.90 -0.34 0.10 3.18 -0.85 0.21 -1.97 117.35 115.79 1dhf s TYR 177 Ca 0.41 0.56 0.05 0.00 -0.52 0.00 0.00 57.07 57.57 1dhf s TYR 177 Cb -0.11 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 1dhf s TYR 177 CO 0.28 -0.33 -0.13 -1.59 -1.52 0.00 0.00 175.55 172.26 1dhf s LYS 178 N -1.23 0.93 -0.20 -3.49 0.00 -0.66 -0.69 119.74 114.40 1dhf s LYS 178 Ca -0.00 -1.16 -0.19 0.00 0.00 0.00 0.00 55.97 54.62 1dhf s LYS 178 Cb -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 37.83 37.01 1dhf s LYS 178 CO 0.00 0.15 0.53 -0.06 0.00 0.00 0.00 175.35 175.97 1dhf s PHE 179 N -2.04 3.37 0.08 1.78 0.08 -1.26 -0.51 117.98 119.47 1dhf s PHE 179 Ca 0.06 0.78 0.08 0.00 0.12 0.00 0.00 56.93 57.96 1dhf s PHE 179 Cb -0.05 -2.69 -0.03 0.00 -0.57 0.00 0.00 43.02 39.68 1dhf s PHE 179 CO 0.02 -0.12 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.61 1dhf s GLU 180 N 1.71 1.15 -0.14 0.44 2.02 0.19 -4.90 118.70 119.17 1dhf s GLU 180 Ca 0.24 -1.07 -0.01 0.00 0.02 0.00 0.00 54.97 54.16 1dhf s GLU 180 Cb -0.15 -1.34 0.04 0.00 0.10 0.00 0.00 34.13 32.77 1dhf s GLU 180 CO 0.10 0.32 -0.03 0.08 0.02 0.00 0.00 175.26 175.74 1dhf s VAL 181 N -1.07 0.85 0.03 2.63 1.01 -1.26 -0.37 120.40 122.22 1dhf s VAL 181 Ca 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1dhf s VAL 181 Cb -0.10 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1dhf s VAL 181 CO 0.03 0.16 -0.08 -0.31 0.00 0.00 0.00 175.10 174.90 1dhf s TYR 182 N 1.76 2.83 0.11 5.22 1.51 -0.72 0.82 117.35 128.88 1dhf s TYR 182 Ca 0.02 -0.08 0.05 0.00 -1.01 0.00 0.00 57.07 56.05 1dhf s TYR 182 Cb -0.14 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1dhf s TYR 182 CO -0.07 0.37 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.62 1dhf s GLU 183 N -1.56 0.95 -0.03 -0.62 2.12 0.16 -0.12 118.70 119.60 1dhf s GLU 183 Ca 0.18 -1.23 -0.09 0.00 0.36 0.00 0.00 54.97 54.19 1dhf s GLU 183 Cb -0.11 -0.71 0.01 0.00 0.26 0.00 0.00 34.13 33.58 1dhf s GLU 183 CO 0.08 0.12 0.20 -1.59 -0.54 0.00 0.00 175.26 173.53 1dhf s LYS 184 N -2.85 0.42 0.00 4.30 -2.85 -0.30 0.84 119.74 119.30 1dhf s LYS 184 Ca 0.08 -0.09 0.00 0.00 -1.00 0.00 0.00 55.97 54.97 1dhf s LYS 184 Cb -0.03 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.92 1dhf s LYS 184 CO 0.01 -0.09 0.31 0.09 0.10 0.00 0.00 175.35 175.78