#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhf s ASN 5 N 0.00 2.26 -0.08 -1.43 0.01 -0.66 -1.27 114.94 113.78 2dhf s ASN 5 Ca 0.00 -0.39 -0.01 0.00 -0.71 0.00 0.00 52.86 51.75 2dhf s ASN 5 Cb 0.00 -1.02 -0.03 0.00 0.41 0.00 0.00 41.25 40.61 2dhf s ASN 5 CO 0.00 0.03 -0.03 0.00 -1.51 0.00 0.00 177.10 175.59 2dhf s ILE 7 N -0.83 -0.13 0.17 0.00 2.07 -1.06 0.17 121.20 121.60 2dhf s ILE 7 Ca 0.13 0.35 -0.03 0.00 -1.41 0.00 0.00 60.65 59.68 2dhf s ILE 7 Cb -0.11 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.23 2dhf s ILE 7 CO 0.02 0.12 0.15 0.54 -1.91 0.00 0.00 174.94 173.86 2dhf s VAL 8 N 2.18 0.05 -0.06 4.00 0.11 -0.53 -4.62 120.40 121.53 2dhf s VAL 8 Ca 0.04 -1.81 0.03 0.00 -2.93 0.00 0.00 61.98 57.31 2dhf s VAL 8 Cb -0.12 -2.18 0.01 0.00 -1.53 0.00 0.00 36.38 32.55 2dhf s VAL 8 CO -0.04 -0.24 -0.14 0.00 -3.33 0.00 0.00 175.10 171.35 2dhf s ALA 9 N -4.07 1.34 -0.02 1.54 0.00 -1.26 -1.51 121.76 117.78 2dhf s ALA 9 Ca 0.28 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.76 2dhf s ALA 9 Cb 0.06 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 2dhf s ALA 9 CO 0.06 0.18 -0.13 0.14 0.00 0.00 0.00 175.76 176.00 2dhf s VAL 10 N 0.40 1.06 1.11 0.00 -7.23 0.32 -4.67 120.40 111.38 2dhf s VAL 10 Ca -0.10 -0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 59.35 2dhf s VAL 10 Cb -0.14 -0.90 0.26 0.00 0.56 0.00 0.00 36.38 36.16 2dhf s VAL 10 CO 0.03 0.31 1.21 -0.94 -0.31 0.00 0.00 175.10 175.40 2dhf s SER 11 N -0.06 1.73 0.35 4.85 1.04 -0.75 0.47 113.70 121.33 2dhf s SER 11 Ca 0.00 0.43 0.08 0.00 0.48 0.00 0.00 55.95 56.94 2dhf s SER 11 Cb -0.08 -0.56 0.67 0.00 0.10 0.00 0.00 66.02 66.15 2dhf s SER 11 CO 0.00 -3.61 1.85 -0.61 0.98 0.00 0.00 173.24 171.86 2dhf h GLN 12 N -2.23 0.30 -0.92 4.02 4.15 -0.83 -1.22 115.11 118.37 2dhf h GLN 12 Ca -0.44 -0.08 -0.16 0.00 0.77 0.00 0.00 58.65 58.74 2dhf h GLN 12 Cb 1.26 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.82 2dhf h GLN 12 CO 0.34 0.47 0.20 0.27 -1.93 0.00 0.00 178.83 178.18 2dhf n ASN 13 N -4.22 3.38 -1.87 -0.69 6.94 -1.26 -4.87 115.26 112.67 2dhf n ASN 13 Ca -0.00 -2.68 -0.20 0.00 -0.02 0.00 0.00 54.58 51.68 2dhf n ASN 13 Cb 0.31 -0.64 -0.05 0.00 -2.36 0.00 0.00 39.78 37.04 2dhf n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 2dhf n MET 14 N -0.08 -1.49 -3.13 -3.83 2.81 -0.46 -4.94 117.12 105.99 2dhf n MET 14 Ca 0.24 1.11 -0.39 0.00 -1.81 0.00 0.00 57.70 56.85 2dhf n MET 14 Cb 0.95 -5.58 -0.06 0.00 -0.71 0.00 0.00 33.22 27.82 2dhf n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2dhf s GLY 15 N -2.49 2.79 0.00 3.03 0.00 -1.26 -0.33 107.32 109.06 2dhf s GLY 15 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.91 2dhf s GLY 15 CO 0.00 0.65 0.28 0.29 0.00 0.00 0.00 173.10 174.32 2dhf n ILE 16 N 1.62 0.00 -3.58 0.90 -5.35 0.22 -1.82 119.36 111.35 2dhf n ILE 16 Ca -0.08 -0.39 -0.11 0.00 -0.27 0.00 0.00 62.75 61.91 2dhf n ILE 16 Cb 0.50 1.16 -0.05 0.00 -1.74 0.00 0.00 39.64 39.50 2dhf n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2dhf s GLY 17 N -0.22 -0.26 -0.10 3.28 0.00 -1.15 -4.53 107.32 104.34 2dhf s GLY 17 Ca 0.00 2.10 -0.01 0.00 0.00 0.00 0.00 44.72 46.81 2dhf s GLY 17 CO 0.00 1.15 -0.01 1.25 0.00 0.00 0.00 173.10 175.50 2dhf s LYS 18 N -0.90 0.78 -1.25 2.90 2.47 0.26 -1.48 119.74 122.52 2dhf s LYS 18 Ca -0.01 -0.05 -0.23 0.00 -1.56 0.00 0.00 55.97 54.12 2dhf s LYS 18 Cb -0.01 -1.29 0.02 0.00 -1.46 0.00 0.00 37.83 35.09 2dhf s LYS 18 CO 0.01 -0.36 0.62 0.09 0.16 0.00 0.00 175.35 175.87 2dhf n ASN 19 N 5.09 -3.56 -3.87 1.43 3.02 -1.26 -1.42 115.26 114.69 2dhf n ASN 19 Ca -0.08 -1.17 -0.27 0.00 -0.03 0.00 0.00 54.58 53.02 2dhf n ASN 19 Cb 0.49 -2.41 0.02 0.00 -0.61 0.00 0.00 39.78 37.27 2dhf n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dhf n GLY 20 N -1.99 -0.41 3.69 7.41 0.00 -1.26 -4.96 105.19 107.66 2dhf n GLY 20 Ca -0.15 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 2dhf n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dhf s ASP 21 N -3.73 -0.25 0.40 1.61 3.68 -0.51 -4.63 116.67 113.25 2dhf s ASP 21 Ca 0.41 -0.60 -0.24 0.00 2.13 0.00 0.00 52.55 54.24 2dhf s ASP 21 Cb -0.21 0.65 -0.09 0.00 -1.45 0.00 0.00 42.92 41.83 2dhf s ASP 21 CO 0.83 -1.20 1.11 -0.76 0.13 0.00 0.00 175.17 175.28 2dhf s LEU 22 N -2.92 4.16 0.47 -1.34 1.43 -1.26 0.92 118.68 120.14 2dhf s LEU 22 Ca 0.12 2.19 0.22 0.00 -1.03 0.00 0.00 54.13 55.63 2dhf s LEU 22 Cb -0.03 -4.11 1.16 0.00 0.03 0.00 0.00 46.19 43.24 2dhf s LEU 22 CO 0.04 -0.60 1.98 1.55 0.23 0.00 0.00 176.35 179.55 2dhf h PRO 23 N 2.54 0.00 -6.31 1.29 0.13 -1.85 -3.41 132.00 124.39 2dhf h PRO 23 Ca -0.48 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.20 2dhf h PRO 23 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2dhf h PRO 23 CO 0.62 0.20 -0.35 1.67 -0.23 0.00 0.00 178.00 179.91 2dhf s TRP 24 N -4.20 3.02 0.82 1.56 -2.14 -1.26 -4.79 118.94 111.94 2dhf s TRP 24 Ca -0.03 -0.27 -0.11 0.00 2.66 0.00 0.00 56.10 58.35 2dhf s TRP 24 Cb 0.13 -2.03 0.08 0.00 -3.10 0.00 0.00 33.47 28.55 2dhf s TRP 24 CO 0.64 -0.05 1.10 -1.25 -2.66 0.00 0.00 176.95 174.73 2dhf s PRO 25 N -4.17 1.91 -0.19 3.25 0.04 -1.26 -4.95 135.00 129.63 2dhf s PRO 25 Ca 0.46 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.88 2dhf s PRO 25 Cb -0.09 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2dhf s PRO 25 CO 0.31 -1.75 1.00 -1.25 0.04 0.00 0.00 177.00 175.35 2dhf s PRO 26 N -5.12 4.30 -0.78 0.56 0.04 -1.26 -4.98 135.00 127.76 2dhf s PRO 26 Ca 0.61 1.31 -0.20 0.00 0.04 0.00 0.00 61.00 62.77 2dhf s PRO 26 Cb -0.15 -3.61 0.11 0.00 0.04 0.00 0.00 34.50 30.89 2dhf s PRO 26 CO 0.55 -0.52 0.99 -0.51 0.04 0.00 0.00 177.00 177.55 2dhf s LEU 27 N 2.79 4.94 0.40 -3.56 1.43 -1.26 -4.90 118.68 118.53 2dhf s LEU 27 Ca 0.44 -1.62 0.16 0.00 -1.03 0.00 0.00 54.13 52.09 2dhf s LEU 27 Cb -0.16 -2.38 1.04 0.00 0.03 0.00 0.00 46.19 44.72 2dhf s LEU 27 CO 0.10 -1.18 1.83 -0.09 0.23 0.00 0.00 176.35 177.23 2dhf h ARG 28 N 9.10 0.44 0.00 1.70 2.43 -1.98 0.81 114.38 126.88 2dhf h ARG 28 Ca -0.07 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 2dhf h ARG 28 Cb 1.05 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2dhf h ARG 28 CO 1.12 0.29 -0.70 -0.91 -1.51 0.00 0.00 179.97 178.25 2dhf h ASN 29 N 0.45 0.00 0.52 -3.80 2.35 -1.99 -2.70 115.58 110.40 2dhf h ASN 29 Ca 0.51 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.96 2dhf h ASN 29 Cb 1.20 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.58 2dhf h ASN 29 CO -0.22 0.26 -1.37 -0.08 -1.65 0.00 0.00 177.43 174.37 2dhf h GLU 30 N 0.00 0.31 0.00 0.81 4.22 -1.38 -2.92 114.58 115.61 2dhf h GLU 30 Ca -0.04 -0.53 -0.01 0.00 0.08 0.00 0.00 59.36 58.87 2dhf h GLU 30 Cb 1.23 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 2dhf h GLU 30 CO 0.03 1.23 -0.04 0.74 -2.18 0.00 0.00 179.01 178.79 2dhf h PHE 31 N 0.08 0.00 -0.14 0.92 0.04 -1.01 -1.94 116.94 114.89 2dhf h PHE 31 Ca -0.19 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.37 2dhf h PHE 31 Cb 2.02 0.00 0.01 0.00 2.20 0.00 0.00 35.95 40.17 2dhf h PHE 31 CO 0.07 0.04 -0.77 -0.09 -0.60 0.00 0.00 178.31 176.97 2dhf h ARG 32 N 0.00 0.72 0.05 1.51 2.43 -1.45 -2.74 114.38 114.91 2dhf h ARG 32 Ca -0.00 -0.59 -0.00 0.00 -0.81 0.00 0.00 59.98 58.58 2dhf h ARG 32 Cb 0.44 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2dhf h ARG 32 CO 0.00 1.20 -0.03 -0.92 -1.51 0.00 0.00 179.97 178.72 2dhf h TYR 33 N 0.50 -0.07 -0.92 2.20 5.03 -1.23 -1.55 116.97 120.93 2dhf h TYR 33 Ca -0.05 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.30 2dhf h TYR 33 Cb 1.38 0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.63 2dhf h TYR 33 CO 0.08 0.33 0.60 0.35 -1.32 0.00 0.00 178.16 178.20 2dhf h PHE 34 N -0.48 1.12 0.19 -3.82 3.57 -1.47 -2.19 116.94 113.85 2dhf h PHE 34 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2dhf h PHE 34 Cb 0.43 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.79 2dhf h PHE 34 CO 0.06 0.65 -0.09 0.37 -2.23 0.00 0.00 178.31 177.07 2dhf h GLN 35 N 1.15 -0.25 0.53 1.11 4.15 -1.40 -1.67 115.11 118.74 2dhf h GLN 35 Ca 0.37 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.79 2dhf h GLN 35 Cb 0.02 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 2dhf h GLN 35 CO -0.11 0.02 -0.51 -0.09 -1.93 0.00 0.00 178.83 176.21 2dhf h ARG 36 N -0.50 -1.00 -0.75 1.69 2.43 -1.20 -0.08 114.38 114.96 2dhf h ARG 36 Ca -0.03 0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.32 2dhf h ARG 36 Cb 0.38 0.23 -0.08 0.00 -0.42 0.00 0.00 29.97 30.08 2dhf h ARG 36 CO 0.04 -0.67 0.37 0.52 -1.51 0.00 0.00 179.97 178.72 2dhf h MET 37 N -1.04 0.57 0.02 0.20 2.86 -1.48 0.23 114.93 116.30 2dhf h MET 37 Ca -0.07 -0.03 -0.21 0.00 -2.06 0.00 0.00 59.70 57.33 2dhf h MET 37 Cb 0.89 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 2dhf h MET 37 CO -0.05 0.38 -0.97 1.79 1.06 0.00 0.00 176.91 179.11 2dhf h THR 38 N 0.59 1.60 0.00 2.22 1.35 -1.14 -3.32 112.91 114.20 2dhf h THR 38 Ca 0.39 -3.04 -0.16 0.00 -0.55 0.00 0.00 66.41 63.05 2dhf h THR 38 Cb 0.47 2.70 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 2dhf h THR 38 CO -0.31 0.88 -0.98 0.74 -0.25 0.00 0.00 175.52 175.60 2dhf h THR 39 N 0.04 0.87 -2.96 6.82 2.02 -0.64 -3.43 112.91 115.63 2dhf h THR 39 Ca -0.04 -2.36 -0.57 0.00 0.77 0.00 0.00 66.41 64.21 2dhf h THR 39 Cb 1.67 2.35 -0.04 0.00 -1.74 0.00 0.00 68.15 70.39 2dhf h THR 39 CO 0.14 0.49 0.86 -0.89 0.37 0.00 0.00 175.52 176.49 2dhf s THR 40 N -2.89 4.37 -0.07 3.16 2.01 0.79 -4.71 115.64 118.31 2dhf s THR 40 Ca 0.01 1.66 0.01 0.00 0.31 0.00 0.00 61.69 63.68 2dhf s THR 40 Cb 0.08 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2dhf s THR 40 CO 0.79 -0.14 -0.09 -0.55 -0.69 0.00 0.00 174.62 173.94 2dhf s SER 41 N 1.76 4.49 0.23 3.53 0.15 -1.26 -4.93 113.70 117.68 2dhf s SER 41 Ca 0.52 -0.07 -0.06 0.00 0.70 0.00 0.00 55.95 57.04 2dhf s SER 41 Cb -0.20 -1.13 0.22 0.00 -1.71 0.00 0.00 66.02 63.20 2dhf s SER 41 CO 0.13 0.35 1.76 0.28 1.20 0.00 0.00 173.24 176.96 2dhf h SER 42 N 5.37 0.98 -3.07 5.45 0.02 -1.95 -3.44 113.55 116.90 2dhf h SER 42 Ca -0.47 -0.19 -0.65 0.00 -0.84 0.00 0.00 61.79 59.64 2dhf h SER 42 Cb 1.17 -0.26 -0.10 0.00 0.14 0.00 0.00 62.40 63.36 2dhf h SER 42 CO 0.52 0.93 -0.57 -0.69 -1.14 0.00 0.00 176.83 175.89 2dhf s VAL 43 N -5.29 4.80 0.03 2.27 1.01 -1.26 -5.10 120.40 116.85 2dhf s VAL 43 Ca -0.11 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2dhf s VAL 43 Cb 0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2dhf s VAL 43 CO 0.83 0.37 0.92 -1.61 0.00 0.00 0.00 175.10 175.60 2dhf s GLU 44 N -1.70 4.58 0.00 2.72 2.02 -1.26 -3.06 118.70 122.00 2dhf s GLU 44 Ca 0.23 1.33 0.00 0.00 0.02 0.00 0.00 54.97 56.54 2dhf s GLU 44 Cb -0.12 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.69 2dhf s GLU 44 CO 0.14 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.90 2dhf n GLY 45 N 2.68 0.69 3.41 -1.39 0.00 -1.26 -5.03 105.19 104.29 2dhf n GLY 45 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2dhf n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dhf s LYS 46 N -0.18 1.47 0.21 1.61 1.02 -1.17 -4.79 119.74 117.91 2dhf s LYS 46 Ca 0.00 -1.45 0.04 0.00 0.02 0.00 0.00 55.97 54.58 2dhf s LYS 46 Cb 0.00 -1.87 -0.05 0.00 -0.52 0.00 0.00 37.83 35.39 2dhf s LYS 46 CO 0.00 0.42 -0.04 -0.65 -0.92 0.00 0.00 175.35 174.17 2dhf s GLN 47 N -2.41 1.27 0.28 1.68 -0.21 0.16 -4.86 119.66 115.59 2dhf s GLN 47 Ca 0.18 -1.62 -0.07 0.00 0.02 0.00 0.00 55.36 53.87 2dhf s GLN 47 Cb -0.09 -0.65 -0.06 0.00 1.00 0.00 0.00 33.01 33.21 2dhf s GLN 47 CO 0.08 -0.04 0.57 -0.80 -2.12 0.00 0.00 175.29 172.99 2dhf s ASN 48 N -3.28 6.50 -0.09 5.90 0.01 -1.26 -0.20 114.94 122.52 2dhf s ASN 48 Ca 0.25 0.81 0.01 0.00 -0.71 0.00 0.00 52.86 53.22 2dhf s ASN 48 Cb 0.05 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.50 2dhf s ASN 48 CO 0.07 -0.18 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.15 2dhf s LEU 49 N -3.39 2.93 -0.19 0.60 2.96 0.41 -2.21 118.68 119.80 2dhf s LEU 49 Ca 0.45 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 54.16 2dhf s LEU 49 Cb -0.11 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 2dhf s LEU 49 CO 0.28 0.27 -0.06 0.68 -1.32 0.00 0.00 176.35 176.21 2dhf s VAL 50 N -0.29 3.39 -0.17 1.68 -7.23 -0.11 -0.03 120.40 117.64 2dhf s VAL 50 Ca 0.03 -0.50 -0.04 0.00 -1.81 0.00 0.00 61.98 59.66 2dhf s VAL 50 Cb -0.13 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2dhf s VAL 50 CO 0.03 0.45 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.61 2dhf s ILE 51 N 1.10 3.95 0.05 -0.62 1.01 -0.85 -0.10 121.20 125.74 2dhf s ILE 51 Ca 0.01 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 2dhf s ILE 51 Cb -0.15 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.59 2dhf s ILE 51 CO -0.01 0.48 0.26 0.00 0.00 0.00 0.00 174.94 175.67 2dhf s MET 52 N 0.49 0.77 1.24 2.79 0.23 -0.61 -1.71 119.30 122.49 2dhf s MET 52 Ca -0.03 -0.57 -0.19 0.00 -1.03 0.00 0.00 55.69 53.87 2dhf s MET 52 Cb -0.14 0.33 0.30 0.00 -1.53 0.00 0.00 34.83 33.79 2dhf s MET 52 CO 0.03 -0.24 1.06 0.20 -2.03 0.00 0.00 175.02 174.04 2dhf s GLY 53 N -2.12 1.54 0.02 3.16 0.00 0.30 -2.20 107.32 108.03 2dhf s GLY 53 Ca -0.04 -0.84 -0.21 0.00 0.00 0.00 0.00 44.72 43.62 2dhf s GLY 53 CO -0.04 0.05 1.30 1.70 0.00 0.00 0.00 173.10 176.11 2dhf h LYS 54 N -2.74 0.29 -0.95 2.90 3.64 -1.87 -2.33 116.57 115.51 2dhf h LYS 54 Ca -0.46 -0.17 0.14 0.00 -1.27 0.00 0.00 60.65 58.89 2dhf h LYS 54 Cb 1.31 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.05 2dhf h LYS 54 CO 0.35 0.74 0.57 0.87 -2.27 0.00 0.00 179.45 179.71 2dhf h LYS 55 N -0.13 0.82 0.35 1.90 1.57 -1.93 -1.29 116.57 117.87 2dhf h LYS 55 Ca 0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2dhf h LYS 55 Cb 0.70 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2dhf h LYS 55 CO 0.03 0.54 -0.17 1.15 -0.57 0.00 0.00 179.45 180.44 2dhf h THR 56 N 0.85 0.66 -0.93 -0.16 2.02 -1.84 0.62 112.91 114.13 2dhf h THR 56 Ca 0.50 -0.20 0.11 0.00 0.77 0.00 0.00 66.41 67.59 2dhf h THR 56 Cb 0.60 0.77 -0.13 0.00 -1.74 0.00 0.00 68.15 67.65 2dhf h THR 56 CO -0.31 0.04 -0.46 1.87 0.37 0.00 0.00 175.52 177.03 2dhf n TRP 57 N -5.25 -0.20 -0.04 3.16 -0.00 -0.55 -0.50 117.44 114.06 2dhf n TRP 57 Ca -0.10 1.15 -0.06 0.00 -0.00 0.00 0.00 57.50 58.49 2dhf n TRP 57 Cb 0.24 -0.71 0.14 0.00 -0.00 0.00 0.00 31.31 30.97 2dhf n TRP 57 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2dhf h PHE 58 N 0.00 0.73 0.00 5.87 0.04 -1.25 -2.42 116.94 119.91 2dhf h PHE 58 Ca 0.23 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2dhf h PHE 58 Cb 0.47 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.44 2dhf h PHE 58 CO -0.89 0.83 0.00 -1.13 -0.60 0.00 0.00 178.31 176.52 2dhf n SER 59 N -4.11 0.00 -4.75 2.17 3.41 0.35 -4.61 113.62 106.08 2dhf n SER 59 Ca -0.00 0.44 -0.40 0.00 -0.26 0.00 0.00 58.87 58.65 2dhf n SER 59 Cb 0.42 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.87 2dhf n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2dhf s ILE 60 N -2.92 4.55 -0.17 -1.33 1.01 -0.91 -4.91 121.20 116.53 2dhf s ILE 60 Ca 0.04 1.81 -0.29 0.00 0.00 0.00 0.00 60.65 62.22 2dhf s ILE 60 Cb 0.04 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 2dhf s ILE 60 CO 0.12 0.39 2.10 -2.84 0.00 0.00 0.00 174.94 174.70 2dhf s PRO 61 N -0.31 3.41 0.00 2.79 0.02 -1.26 -4.74 135.00 134.91 2dhf s PRO 61 Ca 0.41 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2dhf s PRO 61 Cb -0.22 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 30.00 2dhf s PRO 61 CO 0.26 -1.78 0.00 -1.91 -0.33 0.00 0.00 177.00 173.24 2dhf n GLU 62 N 8.39 0.00 -0.06 5.54 2.13 -1.26 0.33 120.64 135.72 2dhf n GLU 62 Ca 0.26 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.08 2dhf n GLU 62 Cb 0.44 -0.72 0.00 0.00 0.27 0.00 0.00 31.44 31.43 2dhf n GLU 62 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2dhf n LYS 63 N 0.00 0.13 -0.18 5.31 0.00 -1.26 -4.40 118.16 117.77 2dhf n LYS 63 Ca 0.00 -0.61 0.05 0.00 -0.00 0.00 0.00 58.31 57.75 2dhf n LYS 63 Cb 0.00 -0.53 0.07 0.00 -0.00 0.00 0.00 35.03 34.58 2dhf n LYS 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2dhf n ASN 64 N -0.03 1.49 -4.08 -5.58 4.13 0.15 -5.00 115.26 106.35 2dhf n ASN 64 Ca 0.00 -2.52 -0.29 0.00 1.68 0.00 0.00 54.58 53.45 2dhf n ASN 64 Cb 0.51 -0.29 -0.17 0.00 -1.54 0.00 0.00 39.78 38.30 2dhf n ASN 64 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2dhf s ARG 65 N -1.66 2.35 0.70 3.52 0.52 -1.24 -3.45 118.95 119.69 2dhf s ARG 65 Ca 0.17 -0.61 -0.07 0.00 -0.52 0.00 0.00 55.73 54.70 2dhf s ARG 65 Cb 0.15 -1.96 0.05 0.00 0.52 0.00 0.00 34.95 33.72 2dhf s ARG 65 CO 0.02 -0.03 1.01 -1.25 0.02 0.00 0.00 175.30 175.07 2dhf s PRO 66 N 0.89 2.30 -0.17 3.54 0.04 -1.26 -4.98 135.00 135.36 2dhf s PRO 66 Ca -0.08 -0.17 -0.29 0.00 0.04 0.00 0.00 61.00 60.50 2dhf s PRO 66 Cb -0.15 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 2dhf s PRO 66 CO -0.00 -1.18 2.17 1.28 0.04 0.00 0.00 177.00 179.31 2dhf n LEU 67 N -2.90 3.39 -4.65 -3.56 4.77 -1.22 -4.88 117.00 107.94 2dhf n LEU 67 Ca 0.07 0.35 -0.46 0.00 -0.03 0.00 0.00 56.01 55.95 2dhf n LEU 67 Cb 0.60 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 2dhf n LEU 67 CO 0.53 -0.52 0.96 0.29 -1.33 0.00 0.00 177.39 177.32 2dhf n LYS 68 N 8.47 1.84 -0.90 3.23 5.02 -1.26 -2.26 118.16 132.30 2dhf n LYS 68 Ca 0.28 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 2dhf n LYS 68 Cb 0.43 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 2dhf n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dhf n GLY 69 N 2.22 0.73 3.22 0.72 0.00 -1.26 -4.97 105.19 105.85 2dhf n GLY 69 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 2dhf n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dhf s ARG 70 N -0.10 0.97 -0.20 1.61 3.00 -0.96 -4.52 118.95 118.76 2dhf s ARG 70 Ca 0.00 -1.26 -0.16 0.00 0.00 0.00 0.00 55.73 54.31 2dhf s ARG 70 Cb 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 34.95 34.20 2dhf s ARG 70 CO 0.00 0.12 0.39 0.42 0.00 0.00 0.00 175.30 176.23 2dhf s ILE 71 N -2.53 5.21 -0.20 1.52 1.01 -0.94 -4.78 121.20 120.49 2dhf s ILE 71 Ca 0.10 0.69 -0.11 0.00 0.00 0.00 0.00 60.65 61.32 2dhf s ILE 71 Cb -0.02 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 2dhf s ILE 71 CO 0.01 0.26 0.18 0.20 0.00 0.00 0.00 174.94 175.59 2dhf s ASN 72 N 1.03 6.25 -0.05 3.58 0.01 -1.26 -0.93 114.94 123.56 2dhf s ASN 72 Ca 0.19 0.28 0.02 0.00 -0.71 0.00 0.00 52.86 52.64 2dhf s ASN 72 Cb -0.15 -2.12 0.01 0.00 0.41 0.00 0.00 41.25 39.41 2dhf s ASN 72 CO 0.08 0.13 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.46 2dhf s LEU 73 N 0.54 1.67 -0.20 0.60 0.20 0.86 -1.00 118.68 121.36 2dhf s LEU 73 Ca 0.10 -0.27 -0.06 0.00 0.69 0.00 0.00 54.13 54.59 2dhf s LEU 73 Cb -0.12 -0.77 -0.03 0.00 -0.43 0.00 0.00 46.19 44.85 2dhf s LEU 73 CO 0.01 0.05 0.01 -0.69 -0.29 0.00 0.00 176.35 175.44 2dhf s VAL 74 N 0.53 4.12 -0.47 1.68 1.01 -0.68 -1.57 120.40 125.03 2dhf s VAL 74 Ca -0.11 -0.26 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 2dhf s VAL 74 Cb -0.14 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.41 2dhf s VAL 74 CO 0.03 0.43 0.66 -0.76 0.00 0.00 0.00 175.10 175.46 2dhf s LEU 75 N 0.89 4.61 -0.14 3.92 1.43 -0.93 -0.28 118.68 128.18 2dhf s LEU 75 Ca 0.02 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.53 2dhf s LEU 75 Cb -0.14 -2.64 0.06 0.00 0.03 0.00 0.00 46.19 43.50 2dhf s LEU 75 CO 0.02 -0.86 0.30 -0.55 0.23 0.00 0.00 176.35 175.49 2dhf s SER 76 N 2.29 0.04 0.26 2.29 0.15 0.37 -3.05 113.70 116.05 2dhf s SER 76 Ca 0.21 0.67 0.03 0.00 0.70 0.00 0.00 55.95 57.56 2dhf s SER 76 Cb -0.16 0.76 0.32 0.00 -1.71 0.00 0.00 66.02 65.23 2dhf s SER 76 CO 0.17 -0.22 1.64 -0.09 1.20 0.00 0.00 173.24 175.93 2dhf h ARG 77 N 7.93 0.39 0.00 5.44 9.65 -1.82 -3.39 114.38 132.59 2dhf h ARG 77 Ca -0.22 -0.20 -0.27 0.00 -1.10 0.00 0.00 59.98 58.19 2dhf h ARG 77 Cb 1.13 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.67 2dhf h ARG 77 CO 0.20 0.75 -1.90 0.39 2.80 0.00 0.00 179.97 182.21 2dhf n GLU 78 N -4.01 0.34 -0.64 0.20 4.71 -1.26 -5.02 120.64 114.96 2dhf n GLU 78 Ca -0.02 0.15 -0.25 0.00 -0.01 0.00 0.00 57.16 57.04 2dhf n GLU 78 Cb 0.51 -1.08 -0.03 0.00 -1.01 0.00 0.00 31.44 29.83 2dhf n GLU 78 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2dhf n LEU 79 N -3.69 -0.14 0.00 -4.62 4.77 -1.26 -4.80 117.00 107.26 2dhf n LEU 79 Ca -0.32 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2dhf n LEU 79 Cb 0.73 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2dhf n LEU 79 CO 0.02 -0.95 0.37 1.17 -1.33 0.00 0.00 177.39 176.68 2dhf n LYS 80 N 0.60 0.00 -4.58 3.23 0.00 -1.26 -4.93 118.16 111.22 2dhf n LYS 80 Ca 0.09 0.41 -0.26 0.00 0.00 0.00 0.00 58.31 58.55 2dhf n LYS 80 Cb 0.05 -1.32 -0.10 0.00 0.00 0.00 0.00 35.03 33.66 2dhf n LYS 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2dhf s GLU 81 N -2.32 1.89 0.04 1.64 2.02 -1.26 -5.11 118.70 115.60 2dhf s GLU 81 Ca 0.00 -2.10 -0.30 0.00 0.02 0.00 0.00 54.97 52.59 2dhf s GLU 81 Cb 0.00 -1.28 -0.06 0.00 0.10 0.00 0.00 34.13 32.89 2dhf s GLU 81 CO 0.00 -0.18 1.30 -1.25 0.02 0.00 0.00 175.26 175.15 2dhf s PRO 82 N -3.79 4.35 0.47 0.39 0.04 -1.26 -4.97 135.00 130.23 2dhf s PRO 82 Ca 0.30 1.88 -0.21 0.00 0.04 0.00 0.00 61.00 63.01 2dhf s PRO 82 Cb 0.08 -3.42 -0.11 0.00 0.04 0.00 0.00 34.50 31.09 2dhf s PRO 82 CO 0.15 -0.42 0.65 -0.35 0.04 0.00 0.00 177.00 177.07 2dhf n PRO 83 N 4.54 0.72 -1.68 0.56 -0.04 -1.26 -4.76 135.00 133.08 2dhf n PRO 83 Ca 0.11 0.27 -0.48 0.00 -0.04 0.00 0.00 63.50 63.36 2dhf n PRO 83 Cb 0.45 -1.70 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 2dhf n PRO 83 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2dhf n GLN 84 N 0.25 2.19 0.00 0.54 -0.06 -1.26 -0.87 117.38 118.17 2dhf n GLN 84 Ca 0.11 0.80 0.00 0.00 -2.00 0.00 0.00 57.00 55.91 2dhf n GLN 84 Cb 0.42 -2.63 0.00 0.00 -4.06 0.00 0.00 30.24 23.97 2dhf n GLN 84 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2dhf n GLY 85 N 4.22 1.52 3.78 1.69 0.00 -1.26 -4.88 105.19 110.26 2dhf n GLY 85 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2dhf n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dhf s ALA 86 N -2.33 2.74 -0.10 4.61 0.00 -0.04 -4.42 121.76 122.22 2dhf s ALA 86 Ca 0.00 0.74 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 2dhf s ALA 86 Cb 0.00 -3.33 -0.28 0.00 0.00 0.00 0.00 23.12 19.51 2dhf s ALA 86 CO 0.00 -0.66 0.81 0.45 0.00 0.00 0.00 175.76 176.35 2dhf h HIS 87 N 1.23 0.26 -3.85 0.00 3.86 -1.39 -3.46 115.15 111.79 2dhf h HIS 87 Ca -0.50 -0.19 -0.22 0.00 -1.16 0.00 0.00 60.37 58.31 2dhf h HIS 87 Cb 1.25 -0.01 -0.15 0.00 1.06 0.00 0.00 27.41 29.56 2dhf h HIS 87 CO 0.53 1.17 -0.69 -0.06 0.86 0.00 0.00 177.93 179.74 2dhf s PHE 88 N -2.32 0.88 -0.06 2.45 0.40 -0.86 -5.03 117.98 113.44 2dhf s PHE 88 Ca -0.17 -0.94 0.01 0.00 -0.60 0.00 0.00 56.93 55.23 2dhf s PHE 88 Cb -0.01 -0.52 0.02 0.00 0.51 0.00 0.00 43.02 43.02 2dhf s PHE 88 CO 0.75 -0.18 -0.07 -1.17 0.70 0.00 0.00 175.22 175.26 2dhf s LEU 89 N -3.04 1.35 0.37 -0.37 2.96 -1.26 -1.68 118.68 117.01 2dhf s LEU 89 Ca 0.12 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 2dhf s LEU 89 Cb 0.06 -0.60 -0.05 0.00 0.50 0.00 0.00 46.19 46.10 2dhf s LEU 89 CO -0.04 -0.04 0.07 -0.44 -1.32 0.00 0.00 176.35 174.57 2dhf s SER 90 N 1.00 2.72 0.00 3.68 0.01 0.62 -4.97 113.70 116.76 2dhf s SER 90 Ca -0.09 -1.48 0.11 0.00 1.31 0.00 0.00 55.95 55.79 2dhf s SER 90 Cb -0.14 0.11 -0.11 0.00 0.21 0.00 0.00 66.02 66.08 2dhf s SER 90 CO -0.00 -0.71 0.47 0.54 0.41 0.00 0.00 173.24 173.96 2dhf n ARG 91 N -0.81 3.33 -3.56 12.44 5.12 -1.26 -0.48 116.66 131.43 2dhf n ARG 91 Ca -0.05 -0.03 -0.11 0.00 -1.93 0.00 0.00 57.85 55.73 2dhf n ARG 91 Cb 0.66 -1.02 -0.03 0.00 -1.16 0.00 0.00 32.46 30.91 2dhf n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2dhf s SER 92 N -2.00 -0.42 0.33 0.55 1.04 -1.26 -4.30 113.70 107.64 2dhf s SER 92 Ca 0.04 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.30 2dhf s SER 92 Cb 0.08 0.59 0.65 0.00 0.10 0.00 0.00 66.02 67.43 2dhf s SER 92 CO 0.44 -1.00 1.94 0.25 0.98 0.00 0.00 173.24 175.85 2dhf h LEU 93 N 2.10 0.77 0.03 2.42 5.85 -1.99 -2.82 115.31 121.68 2dhf h LEU 93 Ca -0.32 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.44 2dhf h LEU 93 Cb 1.29 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 2dhf h LEU 93 CO 0.38 0.50 -0.34 0.44 -0.34 0.00 0.00 178.44 179.08 2dhf h ASP 94 N 0.88 -1.00 -0.30 1.25 5.19 -1.99 0.18 116.42 120.63 2dhf h ASP 94 Ca 0.35 0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.88 2dhf h ASP 94 Cb 0.23 0.39 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 2dhf h ASP 94 CO -0.12 -0.40 0.19 0.44 -3.12 0.00 0.00 179.24 176.22 2dhf h ASP 95 N -0.51 0.36 -0.47 6.45 3.32 -1.93 0.16 116.42 123.80 2dhf h ASP 95 Ca 0.05 -0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.16 2dhf h ASP 95 Cb 0.58 -0.09 -0.09 0.00 0.22 0.00 0.00 39.33 39.95 2dhf h ASP 95 CO -0.25 0.29 -0.12 0.00 -1.72 0.00 0.00 179.24 177.44 2dhf h ALA 96 N 1.08 0.31 0.31 3.45 0.00 -1.18 2.61 119.26 125.83 2dhf h ALA 96 Ca 0.11 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2dhf h ALA 96 Cb -0.01 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2dhf h ALA 96 CO -0.02 -0.45 -0.15 -0.07 0.00 0.00 0.00 179.25 178.56 2dhf h LEU 97 N -0.00 -0.35 -0.44 0.00 3.38 -0.17 -1.17 115.31 116.55 2dhf h LEU 97 Ca 0.23 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.27 2dhf h LEU 97 Cb 0.35 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 2dhf h LEU 97 CO -0.49 -0.22 -0.12 0.11 0.09 0.00 0.00 178.44 177.81 2dhf h LYS 98 N -0.45 -0.01 -1.28 1.13 1.79 0.40 1.21 116.57 119.36 2dhf h LYS 98 Ca -0.04 0.00 0.37 0.00 -2.18 0.00 0.00 60.65 58.80 2dhf h LYS 98 Cb 0.34 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.94 2dhf h LYS 98 CO 0.07 -0.01 0.91 1.25 -1.08 0.00 0.00 179.45 180.59 2dhf h LEU 99 N -0.01 0.05 -0.98 2.94 5.85 0.51 0.14 115.31 123.82 2dhf h LEU 99 Ca 0.21 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 2dhf h LEU 99 Cb 0.34 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2dhf h LEU 99 CO -0.46 0.00 -0.39 0.74 -0.34 0.00 0.00 178.44 177.98 2dhf h THR 100 N 0.04 1.30 -0.05 1.05 2.02 0.27 -3.17 112.91 114.37 2dhf h THR 100 Ca 0.62 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 66.33 2dhf h THR 100 Cb 2.39 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 2dhf h THR 100 CO -0.05 0.44 0.00 -1.84 0.37 0.00 0.00 175.52 174.44 2dhf n GLU 101 N -4.04 1.39 -2.21 6.66 0.28 0.50 -3.19 120.64 120.04 2dhf n GLU 101 Ca -0.01 -0.58 -0.43 0.00 -0.16 0.00 0.00 57.16 55.98 2dhf n GLU 101 Cb 0.46 -1.41 -0.02 0.00 1.43 0.00 0.00 31.44 31.90 2dhf n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2dhf s GLN 102 N -1.94 4.06 0.34 3.44 -1.52 -1.20 -4.83 119.66 118.02 2dhf s GLN 102 Ca 0.36 1.79 0.14 0.00 -1.95 0.00 0.00 55.36 55.70 2dhf s GLN 102 Cb 0.18 -3.92 1.12 0.00 -0.22 0.00 0.00 33.01 30.17 2dhf s GLN 102 CO 0.29 -0.96 1.62 -1.35 -0.25 0.00 0.00 175.29 174.64 2dhf h PRO 103 N 9.44 0.14 0.00 2.91 0.11 -1.91 1.21 132.00 143.90 2dhf h PRO 103 Ca -0.32 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 2dhf h PRO 103 Cb 1.14 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2dhf h PRO 103 CO 0.98 0.09 -0.21 0.93 -0.21 0.00 0.00 178.00 179.58 2dhf h GLU 104 N 0.14 0.00 0.00 1.05 4.39 -1.95 -3.12 114.58 115.09 2dhf h GLU 104 Ca 0.75 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.45 2dhf h GLU 104 Cb 1.81 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.46 2dhf h GLU 104 CO -0.72 0.21 -0.01 1.25 -1.16 0.00 0.00 179.01 178.58 2dhf h LEU 105 N 0.00 0.00 -1.87 1.33 5.85 0.93 -3.37 115.31 118.18 2dhf h LEU 105 Ca -0.00 -0.66 0.17 0.00 0.84 0.00 0.00 57.88 58.23 2dhf h LEU 105 Cb 1.02 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2dhf h LEU 105 CO 0.03 0.84 0.59 0.00 -0.34 0.00 0.00 178.44 179.56 2dhf h ALA 106 N -0.34 2.38 -0.16 1.25 0.00 -0.26 0.17 119.26 122.31 2dhf h ALA 106 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2dhf h ALA 106 Cb 0.67 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2dhf h ALA 106 CO -0.00 -0.90 0.00 0.27 0.00 0.00 0.00 179.25 178.62 2dhf n ASN 107 N -3.76 2.42 -0.00 0.00 2.04 -1.18 -4.02 115.26 110.76 2dhf n ASN 107 Ca 0.12 -1.81 0.04 0.00 -0.44 0.00 0.00 54.58 52.49 2dhf n ASN 107 Cb 0.82 -0.09 -0.05 0.00 -2.53 0.00 0.00 39.78 37.92 2dhf n ASN 107 CO 0.00 0.00 0.00 1.17 -0.44 0.00 0.00 177.26 177.99 2dhf n LYS 108 N 0.84 1.12 -4.86 -3.83 0.00 0.58 -4.83 118.16 107.18 2dhf n LYS 108 Ca 0.17 -0.05 -0.33 0.00 0.00 0.00 0.00 58.31 58.10 2dhf n LYS 108 Cb 0.47 -1.10 -0.15 0.00 0.00 0.00 0.00 35.03 34.25 2dhf n LYS 108 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2dhf s VAL 109 N -2.33 2.61 0.00 3.15 1.01 -1.10 -0.66 120.40 123.07 2dhf s VAL 109 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2dhf s VAL 109 Cb 0.05 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.36 2dhf s VAL 109 CO 0.29 0.53 0.00 -0.67 0.00 0.00 0.00 175.10 175.26 2dhf n ASP 110 N 3.66 0.00 -4.87 3.32 2.03 0.72 -4.85 116.55 116.58 2dhf n ASP 110 Ca -0.19 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.83 2dhf n ASP 110 Cb 0.53 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.88 2dhf n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2dhf s MET 111 N 0.00 3.21 -0.17 -0.67 1.00 -1.26 -4.93 119.30 116.49 2dhf s MET 111 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 55.69 55.07 2dhf s MET 111 Cb 0.00 -2.90 -0.03 0.00 0.00 0.00 0.00 34.83 31.91 2dhf s MET 111 CO 0.00 0.57 -0.03 0.08 0.00 0.00 0.00 175.02 175.65 2dhf s VAL 112 N -1.52 3.86 -0.05 -6.03 1.01 -1.26 0.16 120.40 116.56 2dhf s VAL 112 Ca 0.33 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2dhf s VAL 112 Cb -0.12 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2dhf s VAL 112 CO 0.26 0.47 -0.11 0.26 0.00 0.00 0.00 175.10 175.98 2dhf s TRP 113 N 0.61 1.27 -0.34 5.22 0.52 0.96 -1.65 118.94 125.53 2dhf s TRP 113 Ca -0.02 -0.42 -0.13 0.00 0.02 0.00 0.00 56.10 55.55 2dhf s TRP 113 Cb -0.14 -0.94 -0.02 0.00 -1.15 0.00 0.00 33.47 31.22 2dhf s TRP 113 CO 0.02 -0.22 0.24 0.42 0.02 0.00 0.00 176.95 177.44 2dhf s ILE 114 N 0.55 5.27 -1.92 2.03 1.01 0.33 -2.01 121.20 126.46 2dhf s ILE 114 Ca -0.11 -0.24 0.22 0.00 0.00 0.00 0.00 60.65 60.51 2dhf s ILE 114 Cb -0.14 -3.72 0.65 0.00 0.01 0.00 0.00 42.46 39.26 2dhf s ILE 114 CO 0.02 -0.02 1.54 1.33 0.00 0.00 0.00 174.94 177.81 2dhf n VAL 115 N 5.11 1.05 0.00 2.92 0.24 -0.70 -2.57 118.33 124.38 2dhf n VAL 115 Ca -0.13 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.19 2dhf n VAL 115 Cb 0.50 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 2dhf n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dhf n GLY 116 N 1.60 1.53 0.00 7.63 0.00 -1.26 -4.94 105.19 109.75 2dhf n GLY 116 Ca 0.24 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2dhf n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhf n GLY 117 N 0.59 1.62 0.36 -0.02 0.00 -1.26 0.11 105.19 106.59 2dhf n GLY 117 Ca 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.93 2dhf n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dhf n SER 118 N -0.68 -0.84 -0.26 1.61 3.41 -1.26 0.46 113.62 116.06 2dhf n SER 118 Ca 0.00 1.53 0.14 0.00 -0.26 0.00 0.00 58.87 60.28 2dhf n SER 118 Cb 0.00 -0.23 0.41 0.00 -0.26 0.00 0.00 64.21 64.13 2dhf n SER 118 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dhf h SER 119 N 0.00 0.59 0.01 4.04 0.02 -1.97 -1.52 113.55 114.72 2dhf h SER 119 Ca 0.17 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 2dhf h SER 119 Cb 0.39 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2dhf h SER 119 CO -0.82 0.28 -0.13 0.58 -1.14 0.00 0.00 176.83 175.59 2dhf h VAL 120 N 0.61 1.64 -0.32 2.27 2.07 -0.32 -2.81 116.25 119.40 2dhf h VAL 120 Ca 0.46 -2.06 0.07 0.00 0.82 0.00 0.00 66.70 65.98 2dhf h VAL 120 Cb 0.84 3.01 -0.08 0.00 -1.52 0.00 0.00 31.29 33.54 2dhf h VAL 120 CO -0.21 0.55 -0.37 1.88 0.02 0.00 0.00 177.57 179.44 2dhf h TYR 121 N -0.73 -1.06 -0.57 1.57 0.05 -0.05 0.14 116.97 116.33 2dhf h TYR 121 Ca -0.02 0.06 0.12 0.00 0.05 0.00 0.00 58.73 58.93 2dhf h TYR 121 Cb 0.97 0.51 -0.10 0.00 1.01 0.00 0.00 36.73 39.12 2dhf h TYR 121 CO 0.22 -0.42 -0.04 -0.22 -1.05 0.00 0.00 178.16 176.65 2dhf h LYS 122 N -0.34 0.08 -0.49 4.88 3.64 -1.40 0.28 116.57 123.23 2dhf h LYS 122 Ca 0.13 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2dhf h LYS 122 Cb 0.57 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2dhf h LYS 122 CO -0.50 0.05 0.14 0.93 -2.27 0.00 0.00 179.45 177.81 2dhf h GLU 123 N 0.08 0.77 -0.17 1.90 5.08 -1.05 -2.94 114.58 118.25 2dhf h GLU 123 Ca 0.29 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2dhf h GLU 123 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2dhf h GLU 123 CO -0.51 0.73 -0.25 0.00 -1.00 0.00 0.00 179.01 177.98 2dhf h ALA 124 N 1.00 1.26 -0.37 3.43 0.00 -0.06 -2.50 119.26 122.03 2dhf h ALA 124 Ca 0.16 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2dhf h ALA 124 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2dhf h ALA 124 CO -0.00 0.49 -0.29 0.52 0.00 0.00 0.00 179.25 179.97 2dhf h MET 125 N 0.28 0.80 0.02 0.00 2.86 -0.29 -3.22 114.93 115.37 2dhf h MET 125 Ca 0.04 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 57.25 2dhf h MET 125 Cb 0.60 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.25 2dhf h MET 125 CO 0.04 0.99 -0.29 -0.91 1.06 0.00 0.00 176.91 177.80 2dhf h ASN 126 N 0.68 0.21 -0.55 1.22 2.35 -1.50 -3.47 115.58 114.52 2dhf h ASN 126 Ca 0.08 -0.86 -0.42 0.00 -0.55 0.00 0.00 56.30 54.55 2dhf h ASN 126 Cb 0.83 -0.07 0.03 0.00 0.05 0.00 0.00 38.32 39.16 2dhf h ASN 126 CO 0.07 1.05 -0.03 1.57 -1.65 0.00 0.00 177.43 178.45 2dhf n HIS 127 N -4.46 0.24 -1.54 1.19 -0.00 -0.95 -4.88 115.22 104.81 2dhf n HIS 127 Ca -0.11 0.57 -0.33 0.00 0.46 0.00 0.00 57.72 58.32 2dhf n HIS 127 Cb 0.55 -1.14 0.07 0.00 -0.12 0.00 0.00 29.99 29.36 2dhf n HIS 127 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 2dhf s PRO 128 N -0.10 2.41 0.00 1.57 0.02 -1.26 -4.88 135.00 132.77 2dhf s PRO 128 Ca 0.47 1.53 0.00 0.00 0.02 0.00 0.00 61.00 63.02 2dhf s PRO 128 Cb -0.66 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 31.97 2dhf s PRO 128 CO 0.31 -1.58 0.00 0.41 -0.33 0.00 0.00 177.00 175.82 2dhf n GLY 129 N -0.17 0.27 3.38 0.52 0.00 -1.26 -4.96 105.19 102.98 2dhf n GLY 129 Ca 0.12 -2.29 -0.45 0.00 0.00 0.00 0.00 46.02 43.40 2dhf n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dhf s HIS 130 N 0.00 3.16 -0.04 1.61 5.65 -1.26 -4.28 115.29 120.14 2dhf s HIS 130 Ca 0.00 -0.92 0.06 0.00 0.25 0.00 0.00 55.06 54.45 2dhf s HIS 130 Cb 0.00 -3.52 -0.01 0.00 -1.18 0.00 0.00 32.58 27.87 2dhf s HIS 130 CO 0.00 -0.98 -0.22 -0.51 -0.65 0.00 0.00 174.74 172.39 2dhf s LEU 131 N 2.02 2.01 -0.08 8.88 1.43 -1.00 -2.94 118.68 129.00 2dhf s LEU 131 Ca 0.07 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2dhf s LEU 131 Cb -0.24 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.81 2dhf s LEU 131 CO 0.07 0.23 -0.17 -0.54 0.23 0.00 0.00 176.35 176.17 2dhf s LYS 132 N -0.23 2.24 -0.17 1.70 1.02 -0.40 -0.81 119.74 123.09 2dhf s LYS 132 Ca 0.01 -0.61 -0.08 0.00 0.02 0.00 0.00 55.97 55.30 2dhf s LYS 132 Cb -0.11 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 2dhf s LYS 132 CO 0.02 0.10 0.12 -0.51 -0.92 0.00 0.00 175.35 174.16 2dhf s LEU 133 N 0.50 4.19 -0.48 3.17 1.43 0.30 -1.98 118.68 125.81 2dhf s LEU 133 Ca -0.16 0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 2dhf s LEU 133 Cb -0.16 -2.05 0.11 0.00 0.03 0.00 0.00 46.19 44.11 2dhf s LEU 133 CO 0.06 0.26 0.36 -0.36 0.23 0.00 0.00 176.35 176.90 2dhf s PHE 134 N -0.14 3.37 -0.27 0.29 0.40 0.13 0.26 117.98 122.01 2dhf s PHE 134 Ca 0.10 -1.67 -0.09 0.00 -0.60 0.00 0.00 56.93 54.67 2dhf s PHE 134 Cb -0.12 -3.46 -0.03 0.00 0.51 0.00 0.00 43.02 39.92 2dhf s PHE 134 CO 0.00 -0.97 0.12 0.08 0.70 0.00 0.00 175.22 175.16 2dhf s VAL 135 N 1.43 4.68 -0.30 -0.44 1.01 0.12 -1.46 120.40 125.45 2dhf s VAL 135 Ca 0.05 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 2dhf s VAL 135 Cb -0.26 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 2dhf s VAL 135 CO 0.01 0.27 0.25 -0.89 0.00 0.00 0.00 175.10 174.75 2dhf s THR 136 N 1.66 5.26 -0.40 3.92 2.01 -0.57 -0.07 115.64 127.46 2dhf s THR 136 Ca 0.06 0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.02 2dhf s THR 136 Cb -0.16 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.72 2dhf s THR 136 CO 0.06 0.13 0.42 -0.13 -0.69 0.00 0.00 174.62 174.41 2dhf s ARG 137 N 1.84 3.25 -0.37 4.92 1.81 0.56 -0.53 118.95 130.43 2dhf s ARG 137 Ca 0.09 -0.64 -0.24 0.00 -1.72 0.00 0.00 55.73 53.22 2dhf s ARG 137 Cb -0.16 -3.91 0.01 0.00 -0.45 0.00 0.00 34.95 30.43 2dhf s ARG 137 CO 0.11 -0.75 0.83 0.42 -0.68 0.00 0.00 175.30 175.22 2dhf s ILE 138 N 2.12 4.69 0.00 1.52 1.09 0.18 -2.12 121.20 128.67 2dhf s ILE 138 Ca 0.12 0.98 -0.03 0.00 -1.10 0.00 0.00 60.65 60.63 2dhf s ILE 138 Cb -0.17 -4.25 -0.12 0.00 -1.06 0.00 0.00 42.46 36.86 2dhf s ILE 138 CO 0.13 -0.47 2.39 0.23 -0.10 0.00 0.00 174.94 177.12 2dhf n MET 139 N 6.53 1.25 -3.46 2.79 2.81 0.23 -2.34 117.12 124.93 2dhf n MET 139 Ca 0.04 -0.44 -0.12 0.00 -1.81 0.00 0.00 57.70 55.37 2dhf n MET 139 Cb 0.48 -1.54 -0.03 0.00 -0.71 0.00 0.00 33.22 31.43 2dhf n MET 139 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2dhf s GLN 140 N 0.93 1.12 0.17 0.03 0.74 -1.26 -4.76 119.66 116.61 2dhf s GLN 140 Ca 0.30 -0.29 -0.19 0.00 0.05 0.00 0.00 55.36 55.23 2dhf s GLN 140 Cb 0.14 0.52 -0.08 0.00 1.10 0.00 0.00 33.01 34.69 2dhf s GLN 140 CO 0.00 -0.46 0.66 -0.51 -0.55 0.00 0.00 175.29 174.42 2dhf s ASP 141 N -2.37 7.04 -0.06 6.67 1.11 -1.26 -1.40 116.67 126.40 2dhf s ASP 141 Ca -0.00 1.33 -0.06 0.00 0.18 0.00 0.00 52.55 54.00 2dhf s ASP 141 Cb -0.01 -2.39 0.02 0.00 1.07 0.00 0.00 42.92 41.61 2dhf s ASP 141 CO -0.08 0.12 0.16 -0.36 1.18 0.00 0.00 175.17 176.20 2dhf s PHE 142 N -1.38 -0.17 0.25 4.23 0.08 -1.26 -4.95 117.98 114.79 2dhf s PHE 142 Ca 0.38 0.41 -0.30 0.00 0.12 0.00 0.00 56.93 57.55 2dhf s PHE 142 Cb -0.18 0.06 -0.09 0.00 -0.57 0.00 0.00 43.02 42.24 2dhf s PHE 142 CO 0.21 -0.10 1.29 -2.00 -0.10 0.00 0.00 175.22 174.52 2dhf s GLU 143 N 0.02 4.40 0.08 0.44 2.12 -1.26 -4.84 118.70 119.66 2dhf s GLU 143 Ca -0.01 2.09 -0.09 0.00 0.36 0.00 0.00 54.97 57.32 2dhf s GLU 143 Cb -0.01 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.22 2dhf s GLU 143 CO 0.00 -0.19 0.19 -1.12 -0.54 0.00 0.00 175.26 173.61 2dhf s SER 144 N -0.04 0.09 -0.01 -1.70 0.01 -1.26 -4.73 113.70 106.07 2dhf s SER 144 Ca 0.53 -0.58 0.08 0.00 1.31 0.00 0.00 55.95 57.30 2dhf s SER 144 Cb -0.37 0.33 -0.12 0.00 0.21 0.00 0.00 66.02 66.06 2dhf s SER 144 CO 0.43 -0.69 0.21 -0.90 0.41 0.00 0.00 173.24 172.71 2dhf n ASP 145 N 0.12 2.63 -4.18 2.44 5.68 -0.55 -4.97 116.55 117.73 2dhf n ASP 145 Ca -0.16 -0.11 -0.31 0.00 -0.50 0.00 0.00 54.79 53.70 2dhf n ASP 145 Cb 0.62 1.32 -0.17 0.00 -1.14 0.00 0.00 41.12 41.75 2dhf n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2dhf s THR 146 N -2.45 1.93 0.06 2.12 2.01 -1.12 -5.02 115.64 113.16 2dhf s THR 146 Ca -0.02 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.13 2dhf s THR 146 Cb 0.06 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 2dhf s THR 146 CO 0.35 0.53 -0.23 -0.36 -0.69 0.00 0.00 174.62 174.22 2dhf s PHE 147 N 0.52 2.02 0.01 4.92 0.40 -1.26 0.70 117.98 125.29 2dhf s PHE 147 Ca -0.15 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.50 2dhf s PHE 147 Cb -0.17 -1.19 -0.04 0.00 0.51 0.00 0.00 43.02 42.14 2dhf s PHE 147 CO 0.05 0.13 0.93 0.12 0.70 0.00 0.00 175.22 177.15 2dhf s PHE 148 N -0.85 3.68 0.58 0.36 5.36 0.55 -4.74 117.98 122.92 2dhf s PHE 148 Ca 0.09 1.64 -0.18 0.00 -0.96 0.00 0.00 56.93 57.53 2dhf s PHE 148 Cb -0.09 -3.05 -0.09 0.00 -0.34 0.00 0.00 43.02 39.45 2dhf s PHE 148 CO 0.02 0.06 0.48 -2.30 -1.46 0.00 0.00 175.22 172.03 2dhf n PRO 149 N 3.62 0.46 -3.13 10.12 -0.02 -1.26 -4.90 135.00 139.88 2dhf n PRO 149 Ca 0.04 0.18 -0.39 0.00 -2.02 0.00 0.00 63.50 61.31 2dhf n PRO 149 Cb 0.51 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 2dhf n PRO 149 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2dhf s GLU 150 N -2.08 4.37 -0.06 -0.52 0.41 -1.26 -5.03 118.70 114.53 2dhf s GLU 150 Ca 0.68 0.88 -0.30 0.00 -0.41 0.00 0.00 54.97 55.82 2dhf s GLU 150 Cb -0.44 -3.31 -0.03 0.00 -1.78 0.00 0.00 34.13 28.56 2dhf s GLU 150 CO 0.55 0.43 1.26 0.42 -0.49 0.00 0.00 175.26 177.44 2dhf s ILE 151 N -0.48 4.13 -0.46 -1.63 1.01 -1.26 -4.99 121.20 117.52 2dhf s ILE 151 Ca 0.33 1.45 -0.29 0.00 0.00 0.00 0.00 60.65 62.15 2dhf s ILE 151 Cb -0.20 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.35 2dhf s ILE 151 CO 0.20 -0.03 1.36 -0.62 0.00 0.00 0.00 174.94 175.86 2dhf s ASP 152 N 1.69 6.34 0.55 3.58 -1.08 -1.26 -4.85 116.67 121.64 2dhf s ASP 152 Ca 0.58 0.64 0.35 0.00 -0.52 0.00 0.00 52.55 53.59 2dhf s ASP 152 Cb -0.26 -2.54 1.50 0.00 -1.46 0.00 0.00 42.92 40.16 2dhf s ASP 152 CO 0.22 -1.47 2.02 -0.07 0.52 0.00 0.00 175.17 176.39 2dhf h LEU 153 N 12.24 0.00 -1.19 -1.34 -0.00 -1.95 0.50 115.31 123.57 2dhf h LEU 153 Ca -0.27 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.57 2dhf h LEU 153 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 2dhf h LEU 153 CO 1.12 0.00 -0.23 -0.08 -0.00 0.00 0.00 178.44 179.25 2dhf h GLU 154 N 0.00 0.00 0.00 1.13 4.81 -2.03 -3.35 114.58 115.15 2dhf h GLU 154 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2dhf h GLU 154 Cb 0.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2dhf h GLU 154 CO 0.00 0.23 -1.21 1.63 -0.73 0.00 0.00 179.01 178.93 2dhf n LYS 155 N -3.43 0.52 -3.07 1.92 5.02 -0.34 -5.05 118.16 113.72 2dhf n LYS 155 Ca -0.00 0.02 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 2dhf n LYS 155 Cb 0.42 -1.07 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 2dhf n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2dhf s TYR 156 N -2.07 3.48 -0.08 2.13 2.02 0.16 -4.49 117.35 118.49 2dhf s TYR 156 Ca -0.04 0.84 -0.03 0.00 -0.37 0.00 0.00 57.07 57.47 2dhf s TYR 156 Cb 0.01 -2.28 0.04 0.00 -0.40 0.00 0.00 41.96 39.34 2dhf s TYR 156 CO 0.09 0.01 0.15 0.21 -1.57 0.00 0.00 175.55 174.44 2dhf s LYS 157 N -3.77 0.04 0.14 -0.62 2.20 0.19 -4.53 119.74 113.39 2dhf s LYS 157 Ca 0.48 0.52 -0.31 0.00 -0.36 0.00 0.00 55.97 56.29 2dhf s LYS 157 Cb -0.10 -0.27 -0.10 0.00 -1.51 0.00 0.00 37.83 35.85 2dhf s LYS 157 CO 0.31 -0.28 1.68 -1.17 -0.36 0.00 0.00 175.35 175.53 2dhf s LEU 158 N 2.07 4.38 -0.33 5.43 0.20 -1.26 -2.34 118.68 126.83 2dhf s LEU 158 Ca 0.01 2.67 -0.15 0.00 0.69 0.00 0.00 54.13 57.35 2dhf s LEU 158 Cb -0.12 -3.58 -0.02 0.00 -0.43 0.00 0.00 46.19 42.04 2dhf s LEU 158 CO -0.06 -0.91 0.34 -0.76 -0.29 0.00 0.00 176.35 174.68 2dhf s LEU 159 N 1.83 4.38 0.65 -0.68 1.43 -0.72 -4.97 118.68 120.61 2dhf s LEU 159 Ca 0.74 -0.18 0.28 0.00 -1.03 0.00 0.00 54.13 53.94 2dhf s LEU 159 Cb -0.45 -2.32 1.50 0.00 0.03 0.00 0.00 46.19 44.95 2dhf s LEU 159 CO 0.33 -0.30 1.86 1.55 0.23 0.00 0.00 176.35 180.01 2dhf h PRO 160 N 8.43 0.00 -3.07 1.29 0.13 -1.93 -3.43 132.00 133.42 2dhf h PRO 160 Ca -0.30 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 2dhf h PRO 160 Cb 1.15 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 2dhf h PRO 160 CO 0.68 0.00 0.16 -1.83 -0.23 0.00 0.00 178.00 176.77 2dhf s GLU 161 N -4.20 1.26 -0.30 0.86 -1.05 -1.26 -5.07 118.70 108.94 2dhf s GLU 161 Ca -0.03 -0.53 -0.14 0.00 -0.15 0.00 0.00 54.97 54.11 2dhf s GLU 161 Cb 0.10 0.57 0.17 0.00 -0.44 0.00 0.00 34.13 34.52 2dhf s GLU 161 CO 0.32 -0.54 0.99 -0.47 0.95 0.00 0.00 175.26 176.50 2dhf s TYR 162 N -3.77 -0.68 0.12 4.83 5.04 -1.26 -5.07 117.35 116.55 2dhf s TYR 162 Ca 0.02 1.08 -0.22 0.00 -2.44 0.00 0.00 57.07 55.51 2dhf s TYR 162 Cb -0.01 0.37 -0.13 0.00 0.35 0.00 0.00 41.96 42.55 2dhf s TYR 162 CO -0.12 -0.35 0.45 -0.35 -1.34 0.00 0.00 175.55 173.84 2dhf n PRO 163 N 5.06 0.00 -0.55 4.97 -0.04 -1.26 -1.30 135.00 141.89 2dhf n PRO 163 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2dhf n PRO 163 Cb 0.53 -0.78 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 2dhf n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dhf n GLY 164 N 1.36 1.74 3.35 0.55 0.00 -1.26 -5.01 105.19 105.92 2dhf n GLY 164 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2dhf n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dhf s VAL 165 N -3.39 4.76 0.32 1.61 1.01 -0.42 -5.07 120.40 119.22 2dhf s VAL 165 Ca 0.00 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 60.61 2dhf s VAL 165 Cb 0.00 -3.81 -0.13 0.00 0.00 0.00 0.00 36.38 32.44 2dhf s VAL 165 CO 0.00 -0.46 1.06 0.18 0.00 0.00 0.00 175.10 175.88 2dhf n LEU 166 N 5.06 2.20 0.03 3.92 4.77 -1.26 -4.68 117.00 127.04 2dhf n LEU 166 Ca -0.11 1.16 0.06 0.00 -0.03 0.00 0.00 56.01 57.10 2dhf n LEU 166 Cb 0.44 -1.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 2dhf n LEU 166 CO 0.42 -1.25 -0.45 -1.20 -1.33 0.00 0.00 177.39 173.57 2dhf n SER 167 N 1.05 0.46 -4.80 -1.43 7.64 -1.26 -4.68 113.62 110.61 2dhf n SER 167 Ca 0.09 0.19 -0.34 0.00 1.01 0.00 0.00 58.87 59.81 2dhf n SER 167 Cb 0.34 0.99 -0.04 0.00 -1.01 0.00 0.00 64.21 64.49 2dhf n SER 167 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dhf s ASP 168 N -5.17 6.45 0.29 6.43 1.01 -1.26 -4.94 116.67 119.48 2dhf s ASP 168 Ca -0.05 1.92 -0.29 0.00 0.71 0.00 0.00 52.55 54.84 2dhf s ASP 168 Cb 0.11 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.37 2dhf s ASP 168 CO 0.84 -0.71 1.39 -0.69 0.21 0.00 0.00 175.17 176.21 2dhf s VAL 169 N -1.96 2.64 0.34 -1.27 1.01 -1.26 -4.73 120.40 115.17 2dhf s VAL 169 Ca 0.66 0.59 0.08 0.00 0.00 0.00 0.00 61.98 63.31 2dhf s VAL 169 Cb -0.16 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2dhf s VAL 169 CO 0.20 0.12 0.14 -1.10 0.00 0.00 0.00 175.10 174.46 2dhf s GLN 170 N -1.11 2.36 -0.07 2.72 -1.52 0.52 -4.98 119.66 117.57 2dhf s GLN 170 Ca 0.54 -1.57 -0.08 0.00 -1.95 0.00 0.00 55.36 52.31 2dhf s GLN 170 Cb -0.41 -2.16 0.02 0.00 -0.22 0.00 0.00 33.01 30.24 2dhf s GLN 170 CO 0.49 0.10 0.22 -2.00 -0.25 0.00 0.00 175.29 173.85 2dhf s GLU 171 N -3.84 0.28 -0.15 2.91 2.12 -1.25 -0.82 118.70 117.94 2dhf s GLU 171 Ca 0.38 0.24 -0.16 0.00 0.36 0.00 0.00 54.97 55.79 2dhf s GLU 171 Cb -0.02 0.14 0.04 0.00 0.26 0.00 0.00 34.13 34.55 2dhf s GLU 171 CO 0.23 -0.04 0.44 -2.00 -0.54 0.00 0.00 175.26 173.34 2dhf s GLU 172 N -0.03 0.55 -0.81 4.30 2.12 0.18 -4.85 118.70 120.16 2dhf s GLU 172 Ca -0.01 0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.85 2dhf s GLU 172 Cb -0.02 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.63 2dhf s GLU 172 CO 0.01 -0.08 0.00 1.63 -0.54 0.00 0.00 175.26 176.27 2dhf n LYS 173 N 2.64 -2.36 -0.87 4.30 5.02 -1.26 0.47 118.16 126.09 2dhf n LYS 173 Ca -0.14 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2dhf n LYS 173 Cb 0.57 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.56 2dhf n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dhf n GLY 174 N -0.71 0.91 3.81 0.72 0.00 -1.26 -5.01 105.19 103.66 2dhf n GLY 174 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2dhf n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dhf s ILE 175 N -3.63 5.43 -0.12 -0.61 1.01 0.18 -5.08 121.20 118.37 2dhf s ILE 175 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.88 2dhf s ILE 175 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2dhf s ILE 175 CO 0.00 0.54 0.03 -0.54 0.00 0.00 0.00 174.94 174.97 2dhf s LYS 176 N -0.43 3.36 0.09 2.79 1.02 -1.26 0.50 119.74 125.82 2dhf s LYS 176 Ca 0.13 -0.36 0.02 0.00 0.02 0.00 0.00 55.97 55.78 2dhf s LYS 176 Cb -0.12 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 2dhf s LYS 176 CO 0.02 0.56 -0.06 1.52 -0.92 0.00 0.00 175.35 176.48 2dhf s TYR 177 N -0.48 0.85 -0.06 3.18 -0.85 -0.00 0.74 117.35 120.72 2dhf s TYR 177 Ca 0.09 -0.90 -0.03 0.00 -0.52 0.00 0.00 57.07 55.71 2dhf s TYR 177 Cb -0.12 -0.50 0.03 0.00 0.38 0.00 0.00 41.96 41.75 2dhf s TYR 177 CO 0.02 -0.16 0.15 0.21 -1.52 0.00 0.00 175.55 174.24 2dhf s LYS 178 N -3.69 0.11 -0.11 -3.49 2.20 -0.90 0.20 119.74 114.06 2dhf s LYS 178 Ca 0.10 0.33 -0.23 0.00 -0.36 0.00 0.00 55.97 55.81 2dhf s LYS 178 Cb 0.04 -0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 2dhf s LYS 178 CO -0.05 -0.13 0.70 -0.06 -0.36 0.00 0.00 175.35 175.46 2dhf s PHE 179 N 0.89 3.51 0.10 4.03 0.08 -1.26 -0.32 117.98 125.00 2dhf s PHE 179 Ca -0.07 1.18 0.03 0.00 0.12 0.00 0.00 56.93 58.19 2dhf s PHE 179 Cb -0.09 -2.83 -0.04 0.00 -0.57 0.00 0.00 43.02 39.49 2dhf s PHE 179 CO -0.04 -0.02 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.76 2dhf s GLU 180 N 1.24 0.83 -0.04 0.44 2.02 0.90 -4.96 118.70 119.13 2dhf s GLU 180 Ca 0.36 -1.18 -0.01 0.00 0.02 0.00 0.00 54.97 54.16 2dhf s GLU 180 Cb -0.17 -0.44 0.03 0.00 0.10 0.00 0.00 34.13 33.65 2dhf s GLU 180 CO 0.15 0.05 0.03 0.08 0.02 0.00 0.00 175.26 175.60 2dhf s VAL 181 N -2.68 0.03 0.00 2.63 1.01 -1.26 0.16 120.40 120.29 2dhf s VAL 181 Ca 0.06 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2dhf s VAL 181 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2dhf s VAL 181 CO -0.01 0.17 -0.08 -0.31 0.00 0.00 0.00 175.10 174.87 2dhf s TYR 182 N 1.72 2.85 0.03 5.22 1.51 0.14 -1.75 117.35 127.07 2dhf s TYR 182 Ca -0.00 -0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.04 2dhf s TYR 182 Cb -0.13 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 2dhf s TYR 182 CO -0.03 0.35 -0.13 -2.00 -1.11 0.00 0.00 175.55 172.63 2dhf s GLU 183 N -1.35 0.86 -0.00 -0.62 2.12 -0.99 0.11 118.70 118.82 2dhf s GLU 183 Ca 0.16 -0.70 -0.02 0.00 0.36 0.00 0.00 54.97 54.78 2dhf s GLU 183 Cb -0.11 -0.84 -0.01 0.00 0.26 0.00 0.00 34.13 33.44 2dhf s GLU 183 CO 0.07 0.21 0.03 0.21 -0.54 0.00 0.00 175.26 175.23 2dhf s LYS 184 N -1.06 0.21 0.00 4.30 2.20 0.01 -0.64 119.74 124.75 2dhf s LYS 184 Ca 0.01 -0.25 0.23 0.00 -0.36 0.00 0.00 55.97 55.59 2dhf s LYS 184 Cb -0.07 0.08 0.18 0.00 -1.51 0.00 0.00 37.83 36.51 2dhf s LYS 184 CO 0.01 -0.04 1.22 0.09 -0.36 0.00 0.00 175.35 176.27