#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hof s MET 2 N 0.00 0.66 -0.12 -0.52 -1.94 -0.25 -0.93 119.30 116.19 3hof s MET 2 Ca 0.00 0.04 0.03 0.00 -1.71 0.00 0.00 55.69 54.05 3hof s MET 2 Cb 0.00 -0.91 0.01 0.00 2.01 0.00 0.00 34.83 35.94 3hof s MET 2 CO 0.00 -0.23 -0.21 0.12 -0.01 0.00 0.00 175.02 174.69 3hof s PHE 3 N 1.62 2.47 -0.07 -0.03 5.36 -0.10 -1.01 117.98 126.21 3hof s PHE 3 Ca -0.00 -1.18 0.05 0.00 -0.96 0.00 0.00 56.93 54.84 3hof s PHE 3 Cb -0.13 -1.69 -0.00 0.00 -0.34 0.00 0.00 43.02 40.86 3hof s PHE 3 CO -0.04 -0.54 -0.21 0.42 -1.46 0.00 0.00 175.22 173.39 3hof s ILE 4 N 0.75 1.81 -0.10 3.12 1.01 -0.52 -0.88 121.20 126.38 3hof s ILE 4 Ca -0.10 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.67 3hof s ILE 4 Cb -0.16 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.77 3hof s ILE 4 CO 0.00 0.51 -0.14 0.54 0.00 0.00 0.00 174.94 175.85 3hof s VAL 5 N 0.14 1.40 -0.12 2.92 0.11 -0.11 -1.52 120.40 123.23 3hof s VAL 5 Ca -0.10 -0.59 -0.02 0.00 -2.93 0.00 0.00 61.98 58.35 3hof s VAL 5 Cb -0.15 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.39 3hof s VAL 5 CO 0.05 0.42 -0.06 0.20 -3.33 0.00 0.00 175.10 172.38 3hof s ASN 6 N 0.98 4.67 -0.01 3.54 -0.87 -0.19 -0.19 114.94 122.88 3hof s ASN 6 Ca -0.07 -0.10 -0.21 0.00 -1.57 0.00 0.00 52.86 50.91 3hof s ASN 6 Cb -0.15 -1.53 0.04 0.00 -0.02 0.00 0.00 41.25 39.59 3hof s ASN 6 CO -0.01 0.25 0.45 0.28 -2.57 0.00 0.00 177.10 175.50 3hof s THR 7 N -0.11 0.04 -2.18 1.60 -1.32 -0.22 -1.14 115.64 112.31 3hof s THR 7 Ca 0.02 -0.32 0.28 0.00 -1.21 0.00 0.00 61.69 60.45 3hof s THR 7 Cb -0.13 -0.83 0.47 0.00 -1.51 0.00 0.00 72.50 70.50 3hof s THR 7 CO 0.03 -0.18 1.71 -0.46 -2.21 0.00 0.00 174.62 173.51 3hof n ASN 8 N 0.93 1.22 -4.75 8.08 6.94 -1.23 -1.06 115.26 125.39 3hof n ASN 8 Ca -0.20 -1.22 -0.41 0.00 -0.02 0.00 0.00 54.58 52.72 3hof n ASN 8 Cb 0.57 0.04 -0.01 0.00 -2.36 0.00 0.00 39.78 38.02 3hof n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3hof s VAL 9 N -2.19 2.04 0.65 3.53 1.01 -1.26 -4.33 120.40 119.85 3hof s VAL 9 Ca 0.33 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.20 3hof s VAL 9 Cb 0.20 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3hof s VAL 9 CO 0.41 0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.44 3hof s PRO 10 N -0.61 2.95 0.25 2.72 0.04 -1.26 -0.97 135.00 138.12 3hof s PRO 10 Ca 0.63 1.28 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 3hof s PRO 10 Cb -0.48 -1.98 0.49 0.00 0.04 0.00 0.00 34.50 32.57 3hof s PRO 10 CO 0.49 -1.11 1.70 -0.09 0.04 0.00 0.00 177.00 178.03 3hof h ARG 11 N 0.03 0.33 0.00 4.56 9.65 -1.93 0.05 114.38 127.07 3hof h ARG 11 Ca -0.46 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 3hof h ARG 11 Cb 1.23 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 3hof h ARG 11 CO 0.55 0.22 0.00 0.00 2.80 0.00 0.00 179.97 183.54 3hof h ALA 12 N 1.60 1.00 -0.01 2.80 0.00 -2.03 -1.81 119.26 120.81 3hof h ALA 12 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3hof h ALA 12 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hof h ALA 12 CO -0.48 -0.00 -0.15 0.43 0.00 0.00 0.00 179.25 179.05 3hof n SER 13 N -2.83 1.30 -4.61 0.00 7.64 0.00 -4.81 113.62 110.31 3hof n SER 13 Ca -0.03 -1.19 -0.42 0.00 1.01 0.00 0.00 58.87 58.25 3hof n SER 13 Cb 0.06 0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.30 3hof n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hof s VAL 14 N -2.28 4.70 0.47 0.44 1.01 -0.68 -4.75 120.40 119.30 3hof s VAL 14 Ca 0.30 1.26 -0.22 0.00 0.00 0.00 0.00 61.98 63.32 3hof s VAL 14 Cb 0.20 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 3hof s VAL 14 CO 0.44 -0.36 1.08 -2.16 0.00 0.00 0.00 175.10 174.11 3hof s PRO 15 N 3.18 3.81 0.21 2.72 0.04 -1.26 -4.97 135.00 138.73 3hof s PRO 15 Ca 0.36 1.53 -0.32 0.00 0.04 0.00 0.00 61.00 62.61 3hof s PRO 15 Cb -0.13 -2.27 -0.14 0.00 0.04 0.00 0.00 34.50 32.00 3hof s PRO 15 CO 0.14 -0.45 1.32 -0.25 0.04 0.00 0.00 177.00 177.80 3hof n ASP 16 N -0.68 2.21 0.00 6.66 8.00 -1.26 -2.19 116.55 129.28 3hof n ASP 16 Ca 0.08 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.72 3hof n ASP 16 Cb 0.50 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 3hof n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hof n GLY 17 N 2.15 0.28 0.05 0.44 0.00 -1.26 -4.99 105.19 101.86 3hof n GLY 17 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 3hof n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hof h PHE 18 N 0.00 0.02 -0.70 1.61 3.57 -1.82 -0.47 116.94 119.16 3hof h PHE 18 Ca 0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3hof h PHE 18 Cb 0.00 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3hof h PHE 18 CO 0.00 0.05 0.37 -0.07 -2.23 0.00 0.00 178.31 176.43 3hof h LEU 19 N -0.01 0.89 -0.69 0.59 3.38 -1.94 -0.97 115.31 116.55 3hof h LEU 19 Ca 0.01 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3hof h LEU 19 Cb 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3hof h LEU 19 CO -0.00 0.74 -0.02 0.28 0.09 0.00 0.00 178.44 179.53 3hof h SER 20 N 0.97 0.97 -0.36 -0.43 0.02 -1.94 -0.82 113.55 111.96 3hof h SER 20 Ca 0.24 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3hof h SER 20 Cb 0.06 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3hof h SER 20 CO -0.04 1.04 0.03 -0.08 -1.14 0.00 0.00 176.83 176.65 3hof h GLU 21 N 0.91 0.61 -0.54 3.45 4.81 -0.77 -1.25 114.58 121.80 3hof h GLU 21 Ca 0.16 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3hof h GLU 21 Cb 0.56 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3hof h GLU 21 CO 0.03 0.70 0.33 -0.07 -0.73 0.00 0.00 179.01 179.27 3hof h LEU 22 N 0.44 0.53 -0.10 1.64 3.38 -1.08 -0.83 115.31 119.30 3hof h LEU 22 Ca 0.11 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3hof h LEU 22 Cb 0.40 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3hof h LEU 22 CO 0.01 0.38 -0.08 0.74 0.09 0.00 0.00 178.44 179.57 3hof h THR 23 N 0.65 0.76 0.07 0.22 2.02 -0.93 -0.60 112.91 115.10 3hof h THR 23 Ca 0.22 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 3hof h THR 23 Cb 0.02 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3hof h THR 23 CO -0.09 0.00 -0.03 1.56 0.37 0.00 0.00 175.52 177.32 3hof h GLN 24 N -0.10 -0.09 -0.21 6.66 4.20 -1.04 -1.46 115.11 123.07 3hof h GLN 24 Ca 0.07 0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 3hof h GLN 24 Cb 0.20 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3hof h GLN 24 CO -0.16 0.06 -0.26 1.96 -0.67 0.00 0.00 178.83 179.77 3hof h GLN 25 N -0.23 0.39 -0.23 1.46 1.08 -1.11 -1.58 115.11 114.90 3hof h GLN 25 Ca -0.01 -0.14 -0.17 0.00 -1.45 0.00 0.00 58.65 56.88 3hof h GLN 25 Cb 0.19 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3hof h GLN 25 CO 0.02 0.62 -0.55 -0.07 -0.95 0.00 0.00 178.83 177.90 3hof h LEU 26 N 0.35 0.77 -0.26 1.46 3.38 -1.05 -0.38 115.31 119.57 3hof h LEU 26 Ca 0.05 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 3hof h LEU 26 Cb 0.64 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hof h LEU 26 CO 0.05 1.16 0.15 0.00 0.09 0.00 0.00 178.44 179.89 3hof h ALA 27 N 0.86 0.34 -0.21 1.53 0.00 -0.97 -1.31 119.26 119.49 3hof h ALA 27 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hof h ALA 27 Cb 1.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3hof h ALA 27 CO 0.11 -0.14 0.13 0.37 0.00 0.00 0.00 179.25 179.72 3hof h GLN 28 N 0.32 0.28 -0.35 0.00 5.75 -1.22 -1.03 115.11 118.86 3hof h GLN 28 Ca 0.09 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.49 3hof h GLN 28 Cb 0.04 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 3hof h GLN 28 CO -0.02 0.21 -0.12 0.00 -2.65 0.00 0.00 178.83 176.26 3hof h ALA 29 N 1.05 1.15 -0.00 3.38 0.00 -0.96 -3.13 119.26 120.75 3hof h ALA 29 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hof h ALA 29 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3hof h ALA 29 CO -0.01 0.54 -0.67 0.25 0.00 0.00 0.00 179.25 179.36 3hof n THR 30 N -4.19 0.00 -2.09 0.00 -2.24 -0.50 -4.96 114.28 100.31 3hof n THR 30 Ca 0.01 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 3hof n THR 30 Cb 0.34 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.19 3hof n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hof n GLY 31 N 1.48 0.15 3.58 3.38 0.00 -0.42 -5.00 105.19 108.36 3hof n GLY 31 Ca 0.06 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 3hof n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hof s LYS 32 N -4.39 2.35 0.38 1.61 1.02 -1.01 -5.05 119.74 114.65 3hof s LYS 32 Ca 0.00 -0.87 -0.27 0.00 0.02 0.00 0.00 55.97 54.85 3hof s LYS 32 Cb 0.00 -2.40 -0.09 0.00 -0.52 0.00 0.00 37.83 34.82 3hof s LYS 32 CO 0.00 0.56 1.31 -2.14 -0.92 0.00 0.00 175.35 174.16 3hof s PRO 33 N -1.78 4.08 0.55 -1.68 0.02 -1.26 -4.57 135.00 130.35 3hof s PRO 33 Ca 0.19 2.19 0.36 0.00 0.02 0.00 0.00 61.00 63.76 3hof s PRO 33 Cb -0.11 -2.85 1.80 0.00 0.02 0.00 0.00 34.50 33.36 3hof s PRO 33 CO 0.10 -0.41 2.09 -1.00 -0.33 0.00 0.00 177.00 177.46 3hof h PRO 34 N 2.88 0.00 -0.13 5.54 0.13 -1.91 -1.30 132.00 137.20 3hof h PRO 34 Ca -0.49 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.67 3hof h PRO 34 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3hof h PRO 34 CO 0.63 0.00 0.12 1.96 -0.23 0.00 0.00 178.00 180.49 3hof h GLN 35 N 0.00 0.00 0.00 0.86 7.50 -1.97 -2.20 115.11 119.30 3hof h GLN 35 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3hof h GLN 35 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.72 3hof h GLN 35 CO 0.00 0.00 -0.31 1.88 -1.50 0.00 0.00 178.83 178.90 3hof h TYR 36 N 0.00 0.00 -3.32 2.96 0.05 -1.60 -3.47 116.97 111.59 3hof h TYR 36 Ca 0.06 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.28 3hof h TYR 36 Cb 0.31 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.01 3hof h TYR 36 CO 0.00 0.00 0.39 0.42 -1.05 0.00 0.00 178.16 177.92 3hof s ILE 37 N -3.16 4.88 -0.04 -2.88 -1.09 -0.83 -3.35 121.20 114.73 3hof s ILE 37 Ca 0.08 1.82 0.04 0.00 -2.23 0.00 0.00 60.65 60.36 3hof s ILE 37 Cb 0.11 -4.22 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 3hof s ILE 37 CO 0.67 0.09 -0.15 0.00 -1.23 0.00 0.00 174.94 174.32 3hof s ALA 38 N 1.60 2.65 0.02 9.38 0.00 -0.10 -4.98 121.76 130.33 3hof s ALA 38 Ca 0.44 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.43 3hof s ALA 38 Cb -0.18 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 3hof s ALA 38 CO 0.19 0.56 -0.10 0.14 0.00 0.00 0.00 175.76 176.55 3hof s VAL 39 N -0.75 0.73 -0.13 0.00 -7.23 -1.26 -0.93 120.40 110.84 3hof s VAL 39 Ca 0.12 -0.71 -0.05 0.00 -1.81 0.00 0.00 61.98 59.53 3hof s VAL 39 Cb -0.11 -0.68 0.06 0.00 0.56 0.00 0.00 36.38 36.22 3hof s VAL 39 CO 0.01 -0.02 0.27 -2.28 -0.31 0.00 0.00 175.10 172.77 3hof s HIS 40 N -0.67 -0.42 -0.12 2.82 5.04 -0.06 -4.96 115.29 116.92 3hof s HIS 40 Ca -0.01 0.95 0.03 0.00 -1.54 0.00 0.00 55.06 54.49 3hof s HIS 40 Cb -0.06 -0.00 0.01 0.00 0.04 0.00 0.00 32.58 32.56 3hof s HIS 40 CO 0.00 -0.33 -0.20 0.08 -2.34 0.00 0.00 174.74 171.96 3hof s VAL 41 N 2.14 1.83 -0.34 0.89 1.01 -1.26 -0.93 120.40 123.74 3hof s VAL 41 Ca -0.01 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3hof s VAL 41 Cb -0.12 -1.62 0.10 0.00 0.00 0.00 0.00 36.38 34.74 3hof s VAL 41 CO -0.09 0.51 0.07 -0.69 0.00 0.00 0.00 175.10 174.90 3hof s VAL 42 N 0.75 1.88 0.79 2.92 1.01 0.73 -4.98 120.40 123.50 3hof s VAL 42 Ca -0.10 -2.11 -0.03 0.00 0.00 0.00 0.00 61.98 59.74 3hof s VAL 42 Cb -0.16 -2.40 0.16 0.00 0.00 0.00 0.00 36.38 33.99 3hof s VAL 42 CO 0.01 -0.63 1.08 -0.81 0.00 0.00 0.00 175.10 174.75 3hof n PRO 43 N 4.38 -0.34 -2.14 2.72 -0.04 -1.26 -1.05 135.00 137.27 3hof n PRO 43 Ca 0.02 -2.66 -0.18 0.00 -0.04 0.00 0.00 63.50 60.64 3hof n PRO 43 Cb 0.42 -0.80 -0.03 0.00 -0.04 0.00 0.00 33.50 33.05 3hof n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hof n ASP 44 N -3.07 -5.32 -4.85 3.54 8.00 -0.14 -4.82 116.55 109.88 3hof n ASP 44 Ca 0.17 0.11 -0.32 0.00 0.71 0.00 0.00 54.79 55.45 3hof n ASP 44 Cb 0.60 -4.40 -0.05 0.00 -0.02 0.00 0.00 41.12 37.25 3hof n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3hof s GLN 45 N -4.57 4.00 -0.71 -1.24 -1.52 -0.23 -4.95 119.66 110.45 3hof s GLN 45 Ca 0.00 0.78 -0.23 0.00 -1.95 0.00 0.00 55.36 53.96 3hof s GLN 45 Cb 0.00 -2.31 0.06 0.00 -0.22 0.00 0.00 33.01 30.54 3hof s GLN 45 CO 0.00 -0.00 1.07 -0.51 -0.25 0.00 0.00 175.29 175.60 3hof s LEU 46 N -3.41 4.09 0.06 2.90 1.02 -1.26 -4.10 118.68 117.98 3hof s LEU 46 Ca 0.56 -0.95 -0.07 0.00 0.02 0.00 0.00 54.13 53.70 3hof s LEU 46 Cb -0.10 -2.46 -0.01 0.00 0.02 0.00 0.00 46.19 43.64 3hof s LEU 46 CO 0.22 -1.52 0.13 -0.04 0.02 0.00 0.00 176.35 175.16 3hof s MET 47 N 4.42 0.71 0.02 1.70 -1.94 -1.26 -5.07 119.30 117.89 3hof s MET 47 Ca 0.27 -0.89 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 3hof s MET 47 Cb -0.13 0.28 -0.02 0.00 2.01 0.00 0.00 34.83 36.97 3hof s MET 47 CO 0.09 -0.20 -0.04 0.00 -0.01 0.00 0.00 175.02 174.86 3hof s ALA 48 N -3.31 0.22 -0.10 3.03 0.00 -1.26 -4.65 121.76 115.68 3hof s ALA 48 Ca 0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 3hof s ALA 48 Cb 0.03 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.30 3hof s ALA 48 CO -0.08 -0.12 0.00 0.12 0.00 0.00 0.00 175.76 175.68 3hof s PHE 49 N -1.39 0.83 -1.56 0.00 2.19 -0.63 -4.71 117.98 112.72 3hof s PHE 49 Ca -0.14 -0.37 0.00 0.00 0.33 0.00 0.00 56.93 56.74 3hof s PHE 49 Cb -0.10 -0.90 0.00 0.00 -1.31 0.00 0.00 43.02 40.72 3hof s PHE 49 CO -0.01 -0.41 0.00 0.41 1.83 0.00 0.00 175.22 177.04 3hof n GLY 50 N 5.11 0.20 2.86 13.12 0.00 -1.26 -2.27 105.19 122.95 3hof n GLY 50 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3hof n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hof n GLY 51 N -0.98 0.91 3.52 -0.02 0.00 -1.26 -5.02 105.19 102.34 3hof n GLY 51 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3hof n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hof s SER 52 N -2.83 4.11 -0.12 1.61 0.15 -0.96 -5.04 113.70 110.61 3hof s SER 52 Ca 0.00 -0.43 0.18 0.00 0.70 0.00 0.00 55.95 56.40 3hof s SER 52 Cb 0.00 -0.71 0.72 0.00 -1.71 0.00 0.00 66.02 64.32 3hof s SER 52 CO 0.00 0.21 1.63 -1.20 1.20 0.00 0.00 173.24 175.07 3hof n SER 53 N 1.02 4.78 -4.65 5.45 7.64 -1.26 -1.60 113.62 125.00 3hof n SER 53 Ca -0.15 -2.48 -0.33 0.00 1.01 0.00 0.00 58.87 56.92 3hof n SER 53 Cb 0.52 -0.59 0.13 0.00 -1.01 0.00 0.00 64.21 63.27 3hof n SER 53 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hof n GLU 54 N 1.08 0.06 -1.63 1.43 -0.58 -1.26 -4.87 120.64 114.86 3hof n GLU 54 Ca 0.26 0.09 -0.43 0.00 -0.42 0.00 0.00 57.16 56.66 3hof n GLU 54 Cb 0.91 -2.34 -0.00 0.00 -0.57 0.00 0.00 31.44 29.43 3hof n GLU 54 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3hof n PRO 55 N -3.12 1.57 -3.89 3.49 -0.02 -1.26 -4.84 135.00 126.93 3hof n PRO 55 Ca 0.13 0.55 -0.08 0.00 -2.02 0.00 0.00 63.50 62.08 3hof n PRO 55 Cb 0.51 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 3hof n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hof s ALA 57 N -3.95 -0.47 -0.15 0.00 0.00 -0.66 -3.49 121.76 113.04 3hof s ALA 57 Ca 0.15 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.45 3hof s ALA 57 Cb -0.04 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.93 3hof s ALA 57 CO 0.07 -0.15 -0.19 -0.51 0.00 0.00 0.00 175.76 174.98 3hof s LEU 58 N -0.49 2.25 0.17 0.00 1.43 -0.29 -1.87 118.68 119.87 3hof s LEU 58 Ca -0.06 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 3hof s LEU 58 Cb -0.04 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 3hof s LEU 58 CO 0.01 0.07 -0.09 0.00 0.23 0.00 0.00 176.35 176.57 3hof s SER 60 N -3.21 0.95 -0.14 0.00 0.01 -0.57 -0.75 113.70 109.99 3hof s SER 60 Ca 0.19 -0.23 -0.00 0.00 1.31 0.00 0.00 55.95 57.22 3hof s SER 60 Cb 0.03 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.21 3hof s SER 60 CO 0.02 0.04 -0.10 -0.22 0.41 0.00 0.00 173.24 173.40 3hof s LEU 61 N -0.49 1.53 -0.12 2.44 2.96 -0.04 -1.44 118.68 123.51 3hof s LEU 61 Ca 0.01 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 3hof s LEU 61 Cb -0.04 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 3hof s LEU 61 CO -0.00 -0.11 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.88 3hof s HIS 62 N 1.59 3.04 -0.01 5.38 3.76 -0.18 -1.19 115.29 127.68 3hof s HIS 62 Ca 0.04 -0.13 -0.12 0.00 -0.15 0.00 0.00 55.06 54.70 3hof s HIS 62 Cb -0.13 -1.88 0.01 0.00 1.11 0.00 0.00 32.58 31.69 3hof s HIS 62 CO -0.09 0.14 0.25 0.45 -0.85 0.00 0.00 174.74 174.64 3hof s SER 63 N -0.11 -0.11 -0.57 1.40 0.15 -0.53 -1.09 113.70 112.83 3hof s SER 63 Ca 0.03 -0.03 -0.22 0.00 0.70 0.00 0.00 55.95 56.43 3hof s SER 63 Cb -0.13 0.27 0.06 0.00 -1.71 0.00 0.00 66.02 64.51 3hof s SER 63 CO 0.02 -0.42 0.83 -0.63 1.20 0.00 0.00 173.24 174.24 3hof s ILE 64 N -1.38 4.56 0.08 6.45 1.01 -1.26 0.08 121.20 130.74 3hof s ILE 64 Ca -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3hof s ILE 64 Cb -0.06 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.91 3hof s ILE 64 CO 0.03 -1.11 0.00 0.61 0.00 0.00 0.00 174.94 174.47 3hof n GLY 65 N 5.21 -2.09 2.55 6.18 0.00 -1.26 -4.94 105.19 110.82 3hof n GLY 65 Ca -0.03 -1.41 -0.19 0.00 0.00 0.00 0.00 46.02 44.38 3hof n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hof n LYS 66 N -1.66 -1.37 -4.77 1.61 4.76 -1.26 -4.93 118.16 110.54 3hof n LYS 66 Ca 0.00 1.16 -0.33 0.00 -2.87 0.00 0.00 58.31 56.27 3hof n LYS 66 Cb 0.15 -5.51 -0.13 0.00 -1.84 0.00 0.00 35.03 27.70 3hof n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hof s ILE 67 N -2.74 3.19 0.00 -0.18 -1.09 -1.26 -4.80 121.20 114.32 3hof s ILE 67 Ca 0.00 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 3hof s ILE 67 Cb 0.00 -2.31 0.00 0.00 -1.58 0.00 0.00 42.46 38.57 3hof s ILE 67 CO 0.00 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 3hof n GLY 68 N 2.97 -0.22 0.21 6.18 0.00 -1.26 -4.99 105.19 108.09 3hof n GLY 68 Ca -0.18 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.70 3hof n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hof h GLY 69 N 0.00 -1.30 0.98 -0.02 0.00 -1.99 0.57 103.07 101.32 3hof h GLY 69 Ca 0.00 0.64 -0.07 0.00 0.00 0.00 0.00 47.33 47.90 3hof h GLY 69 CO 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 176.54 176.17 3hof h ALA 70 N -1.01 0.63 -0.33 3.60 0.00 -2.00 -2.76 119.26 117.39 3hof h ALA 70 Ca 0.01 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3hof h ALA 70 Cb 0.31 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hof h ALA 70 CO -0.17 0.40 0.17 1.96 0.00 0.00 0.00 179.25 181.61 3hof h GLN 71 N 0.67 0.34 -0.23 0.00 7.50 -1.89 -2.08 115.11 119.41 3hof h GLN 71 Ca 0.14 -0.02 -0.06 0.00 0.50 0.00 0.00 58.65 59.20 3hof h GLN 71 Cb 0.45 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 3hof h GLN 71 CO 0.02 0.22 -0.14 -0.91 -1.50 0.00 0.00 178.83 176.52 3hof h ASN 72 N 0.35 0.37 -0.54 1.46 2.35 -0.83 0.09 115.58 118.84 3hof h ASN 72 Ca 0.14 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 3hof h ASN 72 Cb 0.04 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3hof h ASN 72 CO -0.09 0.54 0.13 0.03 -1.65 0.00 0.00 177.43 176.39 3hof h ARG 73 N 0.36 0.86 -0.62 0.81 3.08 -1.19 -0.84 114.38 116.84 3hof h ARG 73 Ca 0.07 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 3hof h ARG 73 Cb 0.46 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3hof h ARG 73 CO 0.03 0.82 0.25 1.03 -1.07 0.00 0.00 179.97 181.02 3hof h SER 74 N 0.76 0.87 -0.79 7.04 0.87 -0.65 -1.88 113.55 119.77 3hof h SER 74 Ca 0.17 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 3hof h SER 74 Cb 0.34 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 3hof h SER 74 CO 0.00 0.80 0.36 1.88 -0.53 0.00 0.00 176.83 179.34 3hof h TYR 75 N 0.88 1.16 -0.43 2.24 0.05 -0.82 -1.30 116.97 118.75 3hof h TYR 75 Ca 0.21 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 3hof h TYR 75 Cb 0.21 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 3hof h TYR 75 CO 0.01 0.86 0.15 0.77 -1.05 0.00 0.00 178.16 178.90 3hof h SER 76 N 1.14 0.62 -0.28 3.88 0.02 -0.90 0.13 113.55 118.15 3hof h SER 76 Ca 0.27 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3hof h SER 76 Cb 0.15 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3hof h SER 76 CO -0.03 0.65 0.18 0.50 -1.14 0.00 0.00 176.83 176.99 3hof h LYS 77 N 0.56 0.37 0.06 3.45 3.64 -1.16 0.97 116.57 124.45 3hof h LYS 77 Ca 0.14 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3hof h LYS 77 Cb 0.24 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3hof h LYS 77 CO -0.01 0.26 -0.11 1.25 -2.27 0.00 0.00 179.45 178.58 3hof h LEU 78 N 0.37 -0.31 -0.02 5.20 5.85 -1.06 -1.93 115.31 123.42 3hof h LEU 78 Ca 0.10 0.04 -0.26 0.00 0.84 0.00 0.00 57.88 58.60 3hof h LEU 78 Cb -0.02 0.12 0.02 0.00 0.37 0.00 0.00 40.66 41.15 3hof h LEU 78 CO -0.02 -0.17 -1.06 -0.07 -0.34 0.00 0.00 178.44 176.78 3hof h LEU 79 N -0.22 0.82 -1.05 2.25 -0.00 -0.62 -1.82 115.31 114.67 3hof h LEU 79 Ca 0.02 -0.68 -0.02 0.00 -0.00 0.00 0.00 57.88 57.21 3hof h LEU 79 Cb 0.24 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.61 3hof h LEU 79 CO -0.07 1.48 0.40 0.00 -0.00 0.00 0.00 178.44 180.24 3hof h GLY 81 N 1.11 1.14 0.88 0.00 0.00 -1.13 0.15 103.07 105.21 3hof h GLY 81 Ca 0.27 -0.79 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 3hof h GLY 81 CO -0.04 0.73 -0.01 1.41 0.00 0.00 0.00 176.54 178.63 3hof h LEU 82 N 0.97 0.51 -0.95 3.11 3.38 -1.06 -0.88 115.31 120.39 3hof h LEU 82 Ca 0.18 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3hof h LEU 82 Cb 0.48 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3hof h LEU 82 CO 0.02 0.71 0.26 -0.07 0.09 0.00 0.00 178.44 179.45 3hof h LEU 83 N 0.30 0.94 0.19 1.67 3.38 -0.78 0.19 115.31 121.20 3hof h LEU 83 Ca 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3hof h LEU 83 Cb 0.46 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hof h LEU 83 CO 0.02 0.85 -0.09 0.00 0.09 0.00 0.00 178.44 179.30 3hof h ALA 84 N 1.29 -0.26 -0.25 1.53 0.00 -0.56 -1.74 119.26 119.27 3hof h ALA 84 Ca 0.23 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3hof h ALA 84 Cb 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hof h ALA 84 CO -0.02 -0.53 -0.10 1.49 0.00 0.00 0.00 179.25 180.09 3hof h GLU 85 N -0.48 0.51 0.15 0.00 4.81 -1.11 -1.53 114.58 116.93 3hof h GLU 85 Ca -0.03 -0.21 -0.33 0.00 -0.13 0.00 0.00 59.36 58.66 3hof h GLU 85 Cb 0.37 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 3hof h GLU 85 CO 0.04 0.75 -1.73 0.00 -0.73 0.00 0.00 179.01 177.34 3hof h ARG 86 N 0.24 0.31 -0.01 1.92 2.47 -1.06 -3.38 114.38 114.87 3hof h ARG 86 Ca 0.06 -0.53 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 3hof h ARG 86 Cb 0.58 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 3hof h ARG 86 CO 0.03 1.25 -0.32 1.28 0.56 0.00 0.00 179.97 182.77 3hof n LEU 87 N -3.67 1.56 -2.80 3.04 4.32 -0.71 -4.64 117.00 114.10 3hof n LEU 87 Ca -0.27 -0.76 -0.21 0.00 -0.02 0.00 0.00 56.01 54.75 3hof n LEU 87 Cb 1.01 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.85 3hof n LEU 87 CO 0.45 0.30 0.01 0.54 -1.22 0.00 0.00 177.39 177.48 3hof n ARG 88 N -0.16 -4.67 -3.67 3.23 5.12 -0.57 -4.97 116.66 110.97 3hof n ARG 88 Ca 0.06 0.83 -0.36 0.00 -1.93 0.00 0.00 57.85 56.45 3hof n ARG 88 Cb 0.32 -5.53 -0.08 0.00 -1.16 0.00 0.00 32.46 26.00 3hof n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3hof s ILE 89 N -3.14 5.37 0.20 0.55 1.01 -1.03 -4.91 121.20 119.26 3hof s ILE 89 Ca 0.29 0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.88 3hof s ILE 89 Cb -0.13 -3.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.72 3hof s ILE 89 CO 0.36 0.39 1.58 -0.55 0.00 0.00 0.00 174.94 176.72 3hof s SER 90 N 0.69 6.52 0.51 3.58 0.15 -1.26 -3.31 113.70 120.59 3hof s SER 90 Ca 0.09 2.72 0.25 0.00 0.70 0.00 0.00 55.95 59.71 3hof s SER 90 Cb -0.12 -2.60 1.35 0.00 -1.71 0.00 0.00 66.02 62.93 3hof s SER 90 CO 0.02 -0.85 1.96 -0.65 1.20 0.00 0.00 173.24 174.92 3hof h PRO 91 N 6.27 0.07 0.00 5.44 0.11 -1.97 0.14 132.00 142.06 3hof h PRO 91 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hof h PRO 91 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hof h PRO 91 CO 0.89 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 3hof n ASP 92 N -4.38 0.00 -1.24 -2.05 5.75 -1.26 -2.57 116.55 110.81 3hof n ASP 92 Ca 0.12 -1.14 -0.07 0.00 -0.01 0.00 0.00 54.79 53.69 3hof n ASP 92 Cb 0.66 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.93 3hof n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hof n ARG 93 N -0.88 2.03 -4.64 0.11 1.74 0.47 -4.99 116.66 110.50 3hof n ARG 93 Ca 0.17 -3.33 -0.24 0.00 -0.77 0.00 0.00 57.85 53.67 3hof n ARG 93 Cb 0.08 -1.86 -0.16 0.00 -1.02 0.00 0.00 32.46 29.49 3hof n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hof s VAL 94 N -3.48 1.18 -0.05 1.55 1.01 -1.06 -1.65 120.40 117.90 3hof s VAL 94 Ca 0.45 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.94 3hof s VAL 94 Cb 0.41 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3hof s VAL 94 CO -0.01 0.36 -0.20 -0.31 0.00 0.00 0.00 175.10 174.94 3hof s TYR 95 N 0.33 2.55 -0.15 5.22 2.02 -0.78 -5.00 117.35 121.53 3hof s TYR 95 Ca -0.08 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 3hof s TYR 95 Cb -0.13 -1.60 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3hof s TYR 95 CO 0.03 0.02 -0.14 0.42 -1.57 0.00 0.00 175.55 174.30 3hof s ILE 96 N -0.52 1.57 -0.14 2.71 1.01 -1.26 -0.53 121.20 124.04 3hof s ILE 96 Ca 0.07 -0.65 -0.19 0.00 0.00 0.00 0.00 60.65 59.87 3hof s ILE 96 Cb -0.11 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3hof s ILE 96 CO 0.01 0.44 0.53 0.20 0.00 0.00 0.00 174.94 176.12 3hof s ASN 97 N 1.48 6.69 -0.14 3.58 0.02 0.07 -4.95 114.94 121.70 3hof s ASN 97 Ca 0.05 0.83 -0.06 0.00 -1.02 0.00 0.00 52.86 52.66 3hof s ASN 97 Cb -0.13 -2.31 -0.04 0.00 0.02 0.00 0.00 41.25 38.79 3hof s ASN 97 CO -0.11 -0.09 0.08 -0.31 0.02 0.00 0.00 177.10 176.70 3hof s TYR 98 N 1.02 3.36 -0.11 2.20 1.51 -1.26 -0.86 117.35 123.21 3hof s TYR 98 Ca 0.27 0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 56.61 3hof s TYR 98 Cb -0.16 -1.96 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 3hof s TYR 98 CO 0.11 0.45 -0.05 0.71 -1.11 0.00 0.00 175.55 175.66 3hof s TYR 99 N -0.44 1.24 -0.55 2.71 1.51 -0.33 -4.97 117.35 116.51 3hof s TYR 99 Ca 0.10 -0.59 -0.21 0.00 -1.01 0.00 0.00 57.07 55.36 3hof s TYR 99 Cb -0.12 -1.10 0.06 0.00 -0.11 0.00 0.00 41.96 40.69 3hof s TYR 99 CO 0.02 -0.47 0.79 0.34 -1.11 0.00 0.00 175.55 175.12 3hof s ASP 100 N 1.79 6.25 0.09 2.29 -1.08 -1.26 -1.46 116.67 123.29 3hof s ASP 100 Ca 0.05 -0.78 -0.19 0.00 -0.52 0.00 0.00 52.55 51.11 3hof s ASP 100 Cb -0.13 -2.36 -0.07 0.00 -1.46 0.00 0.00 42.92 38.90 3hof s ASP 100 CO -0.07 -1.11 0.57 -0.04 0.52 0.00 0.00 175.17 175.04 3hof s MET 101 N 3.30 4.19 0.32 4.34 -1.94 0.11 -4.91 119.30 124.70 3hof s MET 101 Ca 0.21 0.72 -0.27 0.00 -1.71 0.00 0.00 55.69 54.64 3hof s MET 101 Cb -0.17 -3.20 -0.09 0.00 2.01 0.00 0.00 34.83 33.38 3hof s MET 101 CO 0.14 0.62 1.08 1.21 -0.01 0.00 0.00 175.02 178.05 3hof s ASN 102 N -1.19 7.07 0.39 3.03 3.84 -1.26 -4.19 114.94 122.64 3hof s ASN 102 Ca 0.30 2.19 0.13 0.00 0.21 0.00 0.00 52.86 55.69 3hof s ASN 102 Cb -0.19 -2.61 0.95 0.00 -0.55 0.00 0.00 41.25 38.84 3hof s ASN 102 CO 0.19 -0.27 1.88 0.00 -2.79 0.00 0.00 177.10 176.11 3hof h ALA 103 N 3.33 1.99 0.00 1.71 0.00 -1.95 0.94 119.26 125.29 3hof h ALA 103 Ca -0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hof h ALA 103 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hof h ALA 103 CO 0.65 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.67 3hof h ALA 104 N 1.62 1.00 -0.50 0.00 0.00 -1.92 -2.85 119.26 116.62 3hof h ALA 104 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3hof h ALA 104 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hof h ALA 104 CO -0.17 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.17 3hof n ASN 105 N -2.82 3.85 -4.11 0.00 3.02 0.32 -4.82 115.26 110.69 3hof n ASN 105 Ca -0.00 -2.30 -0.33 0.00 -0.03 0.00 0.00 54.58 51.91 3hof n ASN 105 Cb 0.20 -0.44 -0.14 0.00 -0.61 0.00 0.00 39.78 38.79 3hof n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hof s VAL 106 N -1.55 2.50 0.28 2.41 1.01 -1.12 -4.91 120.40 119.02 3hof s VAL 106 Ca 0.40 -1.53 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 3hof s VAL 106 Cb 0.24 -2.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 3hof s VAL 106 CO 0.21 -0.05 0.85 -0.83 0.00 0.00 0.00 175.10 175.27 3hof s GLY 107 N 1.16 2.70 -0.28 4.51 0.00 -1.26 -2.26 107.32 111.89 3hof s GLY 107 Ca -0.07 0.36 -0.23 0.00 0.00 0.00 0.00 44.72 44.78 3hof s GLY 107 CO -0.04 0.75 1.00 0.86 0.00 0.00 0.00 173.10 175.68 3hof s TRP 108 N -1.60 -0.52 -1.27 1.90 -0.00 -0.40 -4.96 118.94 112.08 3hof s TRP 108 Ca 0.47 1.20 -0.08 0.00 -0.00 0.00 0.00 56.10 57.70 3hof s TRP 108 Cb -0.17 0.37 -0.01 0.00 -0.00 0.00 0.00 33.47 33.66 3hof s TRP 108 CO 0.22 -0.25 0.64 -1.71 -0.00 0.00 0.00 176.95 175.84 3hof n ASN 109 N 2.64 -2.50 0.00 5.86 4.05 -1.26 -1.70 115.26 122.35 3hof n ASN 109 Ca -0.14 -0.96 0.00 0.00 0.45 0.00 0.00 54.58 53.93 3hof n ASN 109 Cb 0.56 -3.47 0.00 0.00 1.23 0.00 0.00 39.78 38.11 3hof n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3hof n ASN 110 N -2.89 -2.20 0.00 1.20 5.03 -1.26 -4.88 115.26 110.25 3hof n ASN 110 Ca -0.22 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.23 3hof n ASN 110 Cb 0.65 -1.59 0.00 0.00 -1.02 0.00 0.00 39.78 37.82 3hof n ASN 110 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3hof n SER 111 N -0.24 0.00 -3.93 6.41 2.88 -0.69 -5.19 113.62 112.87 3hof n SER 111 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 3hof n SER 111 Cb 0.12 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.50 3hof n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3hof s THR 112 N -0.74 0.43 -1.79 2.46 -4.23 -1.26 -1.27 115.64 109.24 3hof s THR 112 Ca 0.00 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.82 3hof s THR 112 Cb 0.00 -2.34 0.72 0.00 1.34 0.00 0.00 72.50 72.22 3hof s THR 112 CO 0.00 0.00 2.11 0.49 -0.54 0.00 0.00 174.62 176.68 3hof n PHE 113 N -0.88 0.00 -3.29 3.99 3.72 -0.96 -4.64 117.46 115.40 3hof n PHE 113 Ca -0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.93 3hof n PHE 113 Cb 0.64 -0.12 -0.08 0.00 -0.94 0.00 0.00 39.48 38.99 3hof n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hof s ALA 114 N -2.24 3.43 -0.73 4.37 0.00 -1.17 -4.81 121.76 120.61 3hof s ALA 114 Ca 0.39 -1.64 0.06 0.00 0.00 0.00 0.00 51.96 50.77 3hof s ALA 114 Cb 0.21 -3.13 0.07 0.00 0.00 0.00 0.00 23.12 20.27 3hof s ALA 114 CO 0.41 -1.71 0.77 1.28 0.00 0.00 0.00 175.76 176.52 3hof n LEU 115 N 5.69 1.69 0.02 0.00 4.77 -1.26 -4.80 117.00 123.10 3hof n LEU 115 Ca -0.08 -1.17 -0.16 0.00 -0.03 0.00 0.00 56.01 54.57 3hof n LEU 115 Cb 0.46 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 3hof n LEU 115 CO 0.48 0.37 -0.57 -0.33 -1.33 0.00 0.00 177.39 176.01 3hof h GLU 116 N 1.20 0.18 0.00 3.23 3.07 -1.99 -3.50 114.58 116.78 3hof h GLU 116 Ca 0.00 -0.31 -0.51 0.00 -0.50 0.00 0.00 59.36 58.03 3hof h GLU 116 Cb 0.32 0.12 -0.13 0.00 -0.84 0.00 0.00 28.75 28.22 3hof h GLU 116 CO 0.00 0.97 -0.47 0.72 -1.40 0.00 0.00 179.01 178.83 3hof n HIS 117 N -3.34 -0.43 -0.60 4.33 8.25 -1.26 -5.33 115.22 116.83 3hof n HIS 117 Ca -0.22 -2.76 0.00 0.00 -0.26 0.00 0.00 57.72 54.48 3hof n HIS 117 Cb 1.05 0.18 0.00 0.00 1.12 0.00 0.00 29.99 32.33 3hof n HIS 117 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70