#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fhm s LEU -4 N 0.00 2.77 0.14 1.20 1.02 -1.26 -5.12 118.68 117.44 3fhm s LEU -4 Ca 0.00 -0.23 0.06 0.00 0.02 0.00 0.00 54.13 53.98 3fhm s LEU -4 Cb 0.00 -1.59 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 3fhm s LEU -4 CO 0.00 0.28 -0.14 -0.31 0.02 0.00 0.00 176.35 176.20 3fhm s TYR -3 N -0.33 1.46 0.20 0.29 1.51 -1.26 -5.16 117.35 114.06 3fhm s TYR -3 Ca 0.03 -0.59 -0.01 0.00 -1.01 0.00 0.00 57.07 55.49 3fhm s TYR -3 Cb -0.13 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 3fhm s TYR -3 CO 0.02 0.18 0.40 -0.06 -1.11 0.00 0.00 175.55 174.98 3fhm s PHE -2 N -2.46 3.48 0.26 2.71 0.40 -1.26 -5.08 117.98 116.03 3fhm s PHE -2 Ca 0.13 0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 56.54 3fhm s PHE -2 Cb -0.03 -1.88 -0.09 0.00 0.51 0.00 0.00 43.02 41.53 3fhm s PHE -2 CO 0.03 0.38 1.00 1.14 0.70 0.00 0.00 175.22 178.47 3fhm s GLN -1 N -3.25 4.76 0.00 0.44 -2.07 -1.26 -3.99 119.66 114.29 3fhm s GLN -1 Ca 0.39 1.60 0.00 0.00 -1.82 0.00 0.00 55.36 55.52 3fhm s GLN -1 Cb -0.11 -3.22 0.00 0.00 -1.09 0.00 0.00 33.01 28.59 3fhm s GLN -1 CO 0.29 0.39 0.00 0.41 -1.32 0.00 0.00 175.29 175.06 3fhm n GLY 0 N 1.33 0.70 0.97 2.60 0.00 -1.26 -5.04 105.19 104.48 3fhm n GLY 0 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 3fhm n GLY 0 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fhm n MET 1 N -2.03 0.73 -3.35 1.61 2.81 -1.26 -5.05 117.12 110.58 3fhm n MET 1 Ca 0.00 -0.74 -0.31 0.00 -1.81 0.00 0.00 57.70 54.84 3fhm n MET 1 Cb 0.00 -0.10 -0.06 0.00 -0.71 0.00 0.00 33.22 32.35 3fhm n MET 1 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fhm n ALA 2 N -2.89 4.30 0.41 3.04 0.00 -1.26 -4.84 120.51 119.27 3fhm n ALA 2 Ca -0.04 -4.77 0.09 0.00 0.00 0.00 0.00 53.44 48.72 3fhm n ALA 2 Cb 0.15 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.20 3fhm n ALA 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3fhm n THR 3 N 1.06 0.00 -4.29 0.00 -2.24 -1.26 -4.87 114.28 102.68 3fhm n THR 3 Ca 0.28 -0.25 -0.24 0.00 -2.27 0.00 0.00 64.05 61.57 3fhm n THR 3 Cb 0.39 0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 3fhm n THR 3 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3fhm s PHE 4 N -2.97 2.69 0.21 4.78 0.08 -1.26 -0.97 117.98 120.53 3fhm s PHE 4 Ca -0.00 -0.21 -0.10 0.00 0.12 0.00 0.00 56.93 56.73 3fhm s PHE 4 Cb 0.12 -1.23 0.17 0.00 -0.57 0.00 0.00 43.02 41.51 3fhm s PHE 4 CO 0.74 0.58 1.87 0.28 -0.10 0.00 0.00 175.22 178.60 3fhm h VAL 5 N 2.20 1.17 -0.80 -0.44 2.07 -1.11 -1.86 116.25 117.48 3fhm h VAL 5 Ca -0.45 -0.34 0.17 0.00 0.82 0.00 0.00 66.70 66.90 3fhm h VAL 5 Cb 1.23 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 31.00 3fhm h VAL 5 CO 0.58 0.18 0.30 0.50 0.02 0.00 0.00 177.57 179.16 3fhm h LYS 6 N 0.98 0.39 -0.68 1.57 3.11 -1.34 -1.87 116.57 118.74 3fhm h LYS 6 Ca 0.28 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 58.07 3fhm h LYS 6 Cb -0.08 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.03 3fhm h LYS 6 CO -0.07 0.26 0.31 -0.44 -2.81 0.00 0.00 179.45 176.70 3fhm h ASP 7 N 0.40 0.88 0.23 4.20 5.19 -1.63 -2.42 116.42 123.26 3fhm h ASP 7 Ca 0.46 -0.10 -0.18 0.00 -0.62 0.00 0.00 57.03 56.59 3fhm h ASP 7 Cb 0.77 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 3fhm h ASP 7 CO -0.46 0.75 -0.71 -0.07 -3.12 0.00 0.00 179.24 175.63 3fhm h LEU 8 N 0.96 0.50 -1.00 1.55 3.38 -1.22 -3.02 115.31 116.45 3fhm h LEU 8 Ca 0.23 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3fhm h LEU 8 Cb 0.12 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3fhm h LEU 8 CO -0.03 1.05 0.54 -0.07 0.09 0.00 0.00 178.44 180.02 3fhm h LEU 9 N 0.29 1.09 -1.65 1.67 3.38 -1.29 0.16 115.31 118.97 3fhm h LEU 9 Ca -0.03 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3fhm h LEU 9 Cb 1.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3fhm h LEU 9 CO 0.12 0.84 -0.20 0.44 0.09 0.00 0.00 178.44 179.73 3fhm h ASP 10 N 1.25 0.00 0.23 -0.43 3.45 -1.38 -0.71 116.42 118.83 3fhm h ASP 10 Ca 0.32 0.00 -0.34 0.00 0.43 0.00 0.00 57.03 57.44 3fhm h ASP 10 Cb -0.05 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 3fhm h ASP 10 CO -0.06 0.20 -1.87 -0.09 -1.57 0.00 0.00 179.24 175.85 3fhm h ARG 11 N 0.00 0.23 0.00 3.56 2.43 -1.29 -3.42 114.38 115.88 3fhm h ARG 11 Ca -0.00 -0.40 -0.35 0.00 -0.81 0.00 0.00 59.98 58.42 3fhm h ARG 11 Cb 0.42 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 3fhm h ARG 11 CO 0.03 1.09 -2.34 0.36 -1.51 0.00 0.00 179.97 177.60 3fhm n LYS 12 N -3.41 0.67 0.00 0.20 2.85 -0.01 -5.11 118.16 113.35 3fhm n LYS 12 Ca -0.27 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 3fhm n LYS 12 Cb 1.05 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.96 3fhm n LYS 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3fhm n GLY 13 N 2.27 4.37 0.03 2.58 0.00 -0.28 -4.98 105.19 109.17 3fhm n GLY 13 Ca -0.40 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.27 3fhm n GLY 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3fhm n ARG 14 N -1.88 0.34 -2.12 1.61 3.00 -1.26 -4.77 116.66 111.59 3fhm n ARG 14 Ca 0.00 -0.05 -0.38 0.00 -0.00 0.00 0.00 57.85 57.43 3fhm n ARG 14 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 30.89 3fhm n ARG 14 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 3fhm s ASP 15 N -3.97 5.97 -0.06 6.15 1.47 -1.26 -4.03 116.67 120.94 3fhm s ASP 15 Ca 0.01 2.46 0.03 0.00 1.18 0.00 0.00 52.55 56.23 3fhm s ASP 15 Cb 0.14 -2.62 0.01 0.00 -0.34 0.00 0.00 42.92 40.11 3fhm s ASP 15 CO 0.84 -1.06 -0.14 -0.69 0.68 0.00 0.00 175.17 174.80 3fhm s VAL 16 N -1.45 1.24 -0.25 2.11 1.01 -1.26 -4.54 120.40 117.26 3fhm s VAL 16 Ca 0.65 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 3fhm s VAL 16 Cb -0.33 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3fhm s VAL 16 CO 0.40 0.37 0.54 -0.69 0.00 0.00 0.00 175.10 175.72 3fhm s VAL 17 N 0.42 5.06 0.18 2.92 1.01 -1.26 -5.06 120.40 123.66 3fhm s VAL 17 Ca -0.11 0.95 0.10 0.00 0.00 0.00 0.00 61.98 62.92 3fhm s VAL 17 Cb -0.14 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3fhm s VAL 17 CO 0.03 0.09 -0.22 0.42 0.00 0.00 0.00 175.10 175.42 3fhm s THR 18 N 2.26 2.12 0.23 3.92 -4.23 -1.26 -2.65 115.64 116.03 3fhm s THR 18 Ca 0.23 -1.95 0.11 0.00 -1.18 0.00 0.00 61.69 58.90 3fhm s THR 18 Cb -0.16 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.66 3fhm s THR 18 CO 0.09 -0.18 -0.20 0.68 -0.54 0.00 0.00 174.62 174.47 3fhm s VAL 19 N -1.75 2.53 0.75 2.29 -7.23 -0.40 -4.93 120.40 111.66 3fhm s VAL 19 Ca 0.18 -2.13 -0.11 0.00 -1.81 0.00 0.00 61.98 58.10 3fhm s VAL 19 Cb -0.07 -2.27 0.04 0.00 0.56 0.00 0.00 36.38 34.64 3fhm s VAL 19 CO 0.08 -0.23 1.08 -0.83 -0.31 0.00 0.00 175.10 174.89 3fhm s GLY 20 N -3.04 1.65 0.48 2.32 0.00 -1.26 -1.53 107.32 105.93 3fhm s GLY 20 Ca 0.25 -0.02 0.27 0.00 0.00 0.00 0.00 44.72 45.22 3fhm s GLY 20 CO 0.13 0.34 1.87 -0.56 0.00 0.00 0.00 173.10 174.88 3fhm h PRO 21 N -0.91 0.00 0.00 2.90 0.13 -1.94 -3.30 132.00 128.88 3fhm h PRO 21 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 3fhm h PRO 21 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3fhm h PRO 21 CO 0.57 0.14 -1.07 -0.44 -0.23 0.00 0.00 178.00 176.98 3fhm h ASP 22 N 0.00 0.00 -1.88 1.44 3.32 -1.95 -3.34 116.42 114.02 3fhm h ASP 22 Ca -0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 3fhm h ASP 22 Cb 0.68 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.35 3fhm h ASP 22 CO 0.02 0.43 -0.24 0.52 -1.72 0.00 0.00 179.24 178.25 3fhm n VAL 23 N -2.94 1.92 -2.63 -1.35 0.31 -1.24 -4.77 118.33 107.64 3fhm n VAL 23 Ca -0.05 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.48 3fhm n VAL 23 Cb 0.75 -0.52 -0.02 0.00 -0.91 0.00 0.00 33.84 33.14 3fhm n VAL 23 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3fhm s SER 24 N -0.80 6.48 0.24 4.52 1.04 -1.26 -1.63 113.70 122.28 3fhm s SER 24 Ca 0.61 1.23 -0.05 0.00 0.48 0.00 0.00 55.95 58.22 3fhm s SER 24 Cb -0.77 -2.37 0.38 0.00 0.10 0.00 0.00 66.02 63.37 3fhm s SER 24 CO 0.58 -0.51 1.78 0.40 0.98 0.00 0.00 173.24 176.47 3fhm h ILE 25 N 0.80 0.83 -0.85 -1.02 2.04 -1.03 0.21 117.51 118.49 3fhm h ILE 25 Ca -0.47 -0.22 0.13 0.00 1.00 0.00 0.00 64.86 65.31 3fhm h ILE 25 Cb 1.19 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3fhm h ILE 25 CO 0.63 0.11 0.55 1.23 0.00 0.00 0.00 178.15 180.67 3fhm h GLY 26 N 0.63 1.09 1.22 5.37 0.00 -1.63 -1.55 103.07 108.19 3fhm h GLY 26 Ca 0.38 -0.28 -0.34 0.00 0.00 0.00 0.00 47.33 47.09 3fhm h GLY 26 CO -0.29 0.11 -1.52 0.83 0.00 0.00 0.00 176.54 175.67 3fhm h GLU 27 N 0.66 0.51 -0.44 4.80 5.08 -1.29 -2.94 114.58 120.97 3fhm h GLU 27 Ca 0.42 -0.88 0.09 0.00 -1.00 0.00 0.00 59.36 57.99 3fhm h GLU 27 Cb 0.66 0.33 -0.09 0.00 0.50 0.00 0.00 28.75 30.15 3fhm h GLU 27 CO -0.18 1.42 -0.21 0.00 -1.00 0.00 0.00 179.01 179.04 3fhm h ALA 28 N 0.16 0.10 -0.99 3.43 0.00 -0.39 -2.11 119.26 119.45 3fhm h ALA 28 Ca -0.27 0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.93 3fhm h ALA 28 Cb 2.16 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 20.38 3fhm h ALA 28 CO 0.26 -0.57 0.62 0.00 0.00 0.00 0.00 179.25 179.56 3fhm h ALA 29 N 1.16 1.60 -0.38 0.00 0.00 -1.32 -1.23 119.26 119.09 3fhm h ALA 29 Ca 0.21 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3fhm h ALA 29 Cb 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3fhm h ALA 29 CO -0.52 0.12 0.05 0.78 0.00 0.00 0.00 179.25 179.69 3fhm h GLY 30 N 0.91 0.61 0.70 0.00 0.00 -1.22 -2.52 103.07 101.56 3fhm h GLY 30 Ca 0.51 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 3fhm h GLY 30 CO -0.29 0.32 -0.19 -0.84 0.00 0.00 0.00 176.54 175.54 3fhm h THR 31 N 0.55 1.38 -0.99 4.70 2.02 -0.67 -2.02 112.91 117.89 3fhm h THR 31 Ca 0.12 -1.45 0.22 0.00 0.77 0.00 0.00 66.41 66.07 3fhm h THR 31 Cb 0.28 2.06 -0.10 0.00 -1.74 0.00 0.00 68.15 68.65 3fhm h THR 31 CO 0.00 0.42 0.62 -0.07 0.37 0.00 0.00 175.52 176.87 3fhm h LEU 32 N -0.10 0.62 -0.00 2.58 3.38 -1.32 -2.61 115.31 117.86 3fhm h LEU 32 Ca 0.01 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3fhm h LEU 32 Cb 0.77 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3fhm h LEU 32 CO 0.04 0.19 -0.06 -0.74 0.09 0.00 0.00 178.44 177.96 3fhm h HIS 33 N 0.59 0.07 -0.79 1.13 2.76 -1.19 -1.96 115.15 115.75 3fhm h HIS 33 Ca 0.57 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.70 3fhm h HIS 33 Cb 1.13 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 30.04 3fhm h HIS 33 CO -0.00 0.78 0.50 0.00 -1.30 0.00 0.00 177.93 177.91 3fhm h ALA 34 N 0.27 1.39 -0.00 5.26 0.00 -1.27 -2.19 119.26 122.72 3fhm h ALA 34 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fhm h ALA 34 Cb 0.80 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3fhm h ALA 34 CO 0.01 0.54 -0.12 0.72 0.00 0.00 0.00 179.25 180.40 3fhm n HIS 35 N -4.40 0.00 -3.76 0.00 8.25 -0.99 -4.97 115.22 109.35 3fhm n HIS 35 Ca 0.09 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.28 3fhm n HIS 35 Cb 0.05 -0.19 0.02 0.00 1.12 0.00 0.00 29.99 30.99 3fhm n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3fhm n LYS 36 N -0.97 -2.86 -4.45 -0.41 5.02 -0.79 -5.03 118.16 108.67 3fhm n LYS 36 Ca 0.14 0.50 -0.21 0.00 -2.02 0.00 0.00 58.31 56.71 3fhm n LYS 36 Cb 0.28 -4.58 -0.11 0.00 -0.02 0.00 0.00 35.03 30.60 3fhm n LYS 36 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3fhm s ILE 37 N -3.67 1.17 -2.00 -0.18 -4.36 -0.89 -5.05 121.20 106.21 3fhm s ILE 37 Ca 0.20 -2.00 0.19 0.00 -0.26 0.00 0.00 60.65 58.78 3fhm s ILE 37 Cb -0.07 -2.79 0.06 0.00 1.25 0.00 0.00 42.46 40.91 3fhm s ILE 37 CO 0.85 0.00 1.01 0.61 0.24 0.00 0.00 174.94 177.66 3fhm n GLY 38 N -0.68 0.22 3.32 6.27 0.00 -1.26 -4.65 105.19 108.41 3fhm n GLY 38 Ca -0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 3fhm n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhm s ALA 39 N -1.89 -0.99 -0.21 4.61 0.00 -1.26 -1.44 121.76 120.58 3fhm s ALA 39 Ca 0.18 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.16 3fhm s ALA 39 Cb 0.15 0.58 0.09 0.00 0.00 0.00 0.00 23.12 23.94 3fhm s ALA 39 CO 0.37 -0.58 0.46 0.08 0.00 0.00 0.00 175.76 176.08 3fhm s VAL 40 N -3.35 -0.50 -0.06 0.00 1.01 -0.85 -4.94 120.40 111.71 3fhm s VAL 40 Ca 0.00 0.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.84 3fhm s VAL 40 Cb 0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3fhm s VAL 40 CO -0.09 0.05 0.82 -0.69 0.00 0.00 0.00 175.10 175.19 3fhm s VAL 41 N 2.30 4.96 -0.36 2.92 1.01 -1.08 -1.83 120.40 128.31 3fhm s VAL 41 Ca -0.05 1.69 -0.17 0.00 0.00 0.00 0.00 61.98 63.45 3fhm s VAL 41 Cb -0.11 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 3fhm s VAL 41 CO -0.14 0.18 0.47 -0.69 0.00 0.00 0.00 175.10 174.93 3fhm s VAL 42 N 1.11 5.05 0.17 2.92 1.01 0.50 -1.27 120.40 129.89 3fhm s VAL 42 Ca 0.43 0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.69 3fhm s VAL 42 Cb -0.19 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3fhm s VAL 42 CO 0.20 -0.23 -0.23 0.42 0.00 0.00 0.00 175.10 175.26 3fhm s THR 43 N 2.29 2.18 0.68 3.92 -4.23 -0.58 0.08 115.64 119.98 3fhm s THR 43 Ca 0.16 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 58.74 3fhm s THR 43 Cb -0.16 -2.01 0.14 0.00 1.34 0.00 0.00 72.50 71.81 3fhm s THR 43 CO 0.13 -0.12 0.94 -0.90 -0.54 0.00 0.00 174.62 174.13 3fhm n ASP 44 N 0.43 1.21 0.32 3.99 5.75 -0.80 -3.95 116.55 123.50 3fhm n ASP 44 Ca -0.14 -2.04 0.20 0.00 -0.01 0.00 0.00 54.79 52.80 3fhm n ASP 44 Cb 0.56 -0.61 1.07 0.00 -1.03 0.00 0.00 41.12 41.10 3fhm n ASP 44 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fhm h ALA 45 N -0.64 1.21 0.00 2.12 0.00 -2.00 -2.03 119.26 117.92 3fhm h ALA 45 Ca -0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3fhm h ALA 45 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3fhm h ALA 45 CO 0.33 -0.10 -1.03 -0.25 0.00 0.00 0.00 179.25 178.19 3fhm n ASP 46 N -3.21 0.86 0.00 0.00 9.92 -1.26 -4.98 116.55 117.88 3fhm n ASP 46 Ca -0.02 -0.85 0.00 0.00 -0.53 0.00 0.00 54.79 53.39 3fhm n ASP 46 Cb 0.16 1.11 0.00 0.00 -0.64 0.00 0.00 41.12 41.75 3fhm n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3fhm n GLY 47 N 1.45 0.67 3.73 0.44 0.00 -0.76 -5.08 105.19 105.64 3fhm n GLY 47 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3fhm n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fhm s VAL 48 N -2.00 2.88 -0.11 1.61 1.01 -1.26 -4.74 120.40 117.79 3fhm s VAL 48 Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 3fhm s VAL 48 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 3fhm s VAL 48 CO 0.00 0.09 1.02 -0.69 0.00 0.00 0.00 175.10 175.53 3fhm s VAL 49 N 0.35 4.74 -0.21 2.92 1.01 -1.26 -1.91 120.40 126.04 3fhm s VAL 49 Ca 0.61 2.02 0.14 0.00 0.00 0.00 0.00 61.98 64.75 3fhm s VAL 49 Cb -0.40 -4.30 -0.23 0.00 0.00 0.00 0.00 36.38 31.46 3fhm s VAL 49 CO 0.38 -0.01 -0.00 0.18 0.00 0.00 0.00 175.10 175.66 3fhm n LEU 50 N 5.09 0.72 0.00 3.92 4.77 0.11 -4.99 117.00 126.62 3fhm n LEU 50 Ca 0.09 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3fhm n LEU 50 Cb 0.48 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3fhm n LEU 50 CO 0.52 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 3fhm n GLY 51 N 1.89 -1.45 3.11 -0.72 0.00 -1.09 -4.52 105.19 102.40 3fhm n GLY 51 Ca -0.36 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 3fhm n GLY 51 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fhm s ILE 52 N -2.62 1.27 -0.10 -0.61 2.07 -0.63 -0.37 121.20 120.21 3fhm s ILE 52 Ca 0.00 -0.64 0.03 0.00 -1.41 0.00 0.00 60.65 58.64 3fhm s ILE 52 Cb 0.00 -1.09 0.01 0.00 0.13 0.00 0.00 42.46 41.50 3fhm s ILE 52 CO 0.00 0.37 -0.20 0.12 -1.91 0.00 0.00 174.94 173.32 3fhm s PHE 53 N 0.02 2.26 0.43 3.50 5.36 -0.76 -1.49 117.98 127.30 3fhm s PHE 53 Ca -0.02 -0.94 0.03 0.00 -0.96 0.00 0.00 56.93 55.04 3fhm s PHE 53 Cb -0.10 -1.54 -0.03 0.00 -0.34 0.00 0.00 43.02 41.00 3fhm s PHE 53 CO 0.01 -0.41 0.06 0.95 -1.46 0.00 0.00 175.22 174.38 3fhm s THR 54 N 0.50 1.05 0.46 0.12 -4.23 -1.26 -2.01 115.64 110.27 3fhm s THR 54 Ca -0.16 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.56 3fhm s THR 54 Cb -0.17 -2.44 0.40 0.00 1.34 0.00 0.00 72.50 71.63 3fhm s THR 54 CO 0.06 0.00 1.90 1.05 -0.54 0.00 0.00 174.62 177.09 3fhm h GLU 55 N 1.70 0.26 -0.13 3.99 4.11 -1.63 -1.87 114.58 121.00 3fhm h GLU 55 Ca -0.40 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 58.85 3fhm h GLU 55 Cb 1.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3fhm h GLU 55 CO 0.67 0.17 -0.61 -0.09 0.07 0.00 0.00 179.01 179.23 3fhm h ARG 56 N 0.26 0.45 -0.57 1.06 9.65 -1.95 -2.27 114.38 121.01 3fhm h ARG 56 Ca 0.40 -0.31 -0.06 0.00 -1.10 0.00 0.00 59.98 58.91 3fhm h ARG 56 Cb 1.15 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.75 3fhm h ARG 56 CO -0.10 0.92 0.12 -0.44 2.80 0.00 0.00 179.97 183.27 3fhm h ASP 57 N 0.33 0.84 -0.14 -3.80 3.32 -1.71 -2.83 116.42 112.44 3fhm h ASP 57 Ca -0.01 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 56.93 3fhm h ASP 57 Cb 1.15 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 40.42 3fhm h ASP 57 CO 0.11 0.83 -0.27 0.25 -1.72 0.00 0.00 179.24 178.43 3fhm h LEU 58 N 0.86 -0.85 -0.48 1.55 6.46 -1.07 -1.89 115.31 119.88 3fhm h LEU 58 Ca 0.18 0.13 0.09 0.00 -0.12 0.00 0.00 57.88 58.17 3fhm h LEU 58 Cb 0.33 0.37 -0.10 0.00 -0.73 0.00 0.00 40.66 40.54 3fhm h LEU 58 CO 0.00 -0.32 -0.31 0.58 -0.62 0.00 0.00 178.44 177.77 3fhm h VAL 59 N -0.34 0.23 -0.60 1.05 2.07 -1.29 -1.72 116.25 115.64 3fhm h VAL 59 Ca 0.10 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 3fhm h VAL 59 Cb 0.50 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3fhm h VAL 59 CO -0.33 0.00 0.15 0.50 0.02 0.00 0.00 177.57 177.91 3fhm h LYS 60 N -0.20 0.92 0.10 1.57 3.64 -1.37 -0.17 116.57 121.06 3fhm h LYS 60 Ca 0.20 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3fhm h LYS 60 Cb 0.53 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3fhm h LYS 60 CO -0.59 0.82 -0.05 0.00 -2.27 0.00 0.00 179.45 177.35 3fhm h ALA 61 N 1.28 -0.14 -0.01 5.00 0.00 -1.11 -1.96 119.26 122.32 3fhm h ALA 61 Ca 0.19 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3fhm h ALA 61 Cb 0.30 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3fhm h ALA 61 CO -0.00 -0.55 -0.66 -0.39 0.00 0.00 0.00 179.25 177.65 3fhm h VAL 62 N -0.20 1.46 0.01 0.00 -1.51 -1.03 -1.72 116.25 113.26 3fhm h VAL 62 Ca -0.01 -2.22 0.03 0.00 -1.23 0.00 0.00 66.70 63.26 3fhm h VAL 62 Cb 0.16 2.19 -0.05 0.00 -2.13 0.00 0.00 31.29 31.47 3fhm h VAL 62 CO 0.02 0.64 -0.28 0.00 -1.23 0.00 0.00 177.57 176.72 3fhm h ALA 63 N 1.30 -0.41 -0.06 5.19 0.00 -1.00 -1.43 119.26 122.84 3fhm h ALA 63 Ca -0.01 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 3fhm h ALA 63 Cb 1.17 0.50 0.02 0.00 0.00 0.00 0.00 17.79 19.47 3fhm h ALA 63 CO 0.09 -0.79 -0.85 0.78 0.00 0.00 0.00 179.25 178.48 3fhm h GLY 64 N -0.44 0.76 0.00 0.00 0.00 -1.29 -3.41 103.07 98.69 3fhm h GLY 64 Ca 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 47.33 46.18 3fhm h GLY 64 CO -0.24 1.07 0.00 -1.06 0.00 0.00 0.00 176.54 176.31 3fhm n GLN 65 N -3.97 0.75 0.00 4.80 3.00 -0.65 -5.12 117.38 116.19 3fhm n GLN 65 Ca -0.09 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.09 3fhm n GLN 65 Cb 0.78 -0.87 0.00 0.00 0.00 0.00 0.00 30.24 30.15 3fhm n GLN 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3fhm n GLY 66 N -0.19 0.97 0.41 1.08 0.00 -0.54 -3.11 105.19 103.80 3fhm n GLY 66 Ca 0.00 -0.61 0.22 0.00 0.00 0.00 0.00 46.02 45.63 3fhm n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhm h ALA 67 N -0.67 2.53 -0.48 4.61 0.00 -1.94 -1.31 119.26 122.00 3fhm h ALA 67 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3fhm h ALA 67 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3fhm h ALA 67 CO 0.00 -0.73 0.33 0.00 0.00 0.00 0.00 179.25 178.85 3fhm h ALA 68 N 1.66 2.24 0.00 0.00 0.00 -1.96 -3.01 119.26 118.19 3fhm h ALA 68 Ca 0.33 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3fhm h ALA 68 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3fhm h ALA 68 CO -0.03 -0.37 -0.28 0.66 0.00 0.00 0.00 179.25 179.23 3fhm h SER 69 N 0.15 0.00 0.47 0.00 4.64 -1.30 -2.29 113.55 115.22 3fhm h SER 69 Ca 0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 3fhm h SER 69 Cb 0.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3fhm h SER 69 CO -0.03 0.28 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.10 3fhm h LEU 70 N 0.00 0.00 0.04 5.97 3.38 -1.72 -2.68 115.31 120.30 3fhm h LEU 70 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 3fhm h LEU 70 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3fhm h LEU 70 CO 0.04 0.04 -1.27 1.56 0.09 0.00 0.00 178.44 178.89 3fhm h GLN 71 N 0.00 0.09 -7.10 1.13 1.08 -1.61 -2.07 115.11 106.63 3fhm h GLN 71 Ca -0.00 -0.15 -0.54 0.00 -1.45 0.00 0.00 58.65 56.50 3fhm h GLN 71 Cb 0.28 0.06 0.14 0.00 -0.05 0.00 0.00 27.48 27.91 3fhm h GLN 71 CO 0.00 0.96 0.49 -0.65 -0.95 0.00 0.00 178.83 178.69 3fhm s GLN 72 N -2.66 2.76 0.41 1.46 -0.21 -1.01 -4.73 119.66 115.67 3fhm s GLN 72 Ca -0.03 1.95 -0.24 0.00 0.02 0.00 0.00 55.36 57.06 3fhm s GLN 72 Cb 0.09 -1.89 -0.09 0.00 1.00 0.00 0.00 33.01 32.12 3fhm s GLN 72 CO 0.84 -1.40 1.04 0.45 -2.12 0.00 0.00 175.29 174.09 3fhm s SER 73 N -1.49 6.75 0.59 5.90 0.15 -1.26 -0.75 113.70 123.58 3fhm s SER 73 Ca 0.80 2.00 0.30 0.00 0.70 0.00 0.00 55.95 59.75 3fhm s SER 73 Cb -0.34 -2.58 1.36 0.00 -1.71 0.00 0.00 66.02 62.75 3fhm s SER 73 CO 0.36 -0.49 1.74 1.62 1.20 0.00 0.00 173.24 177.67 3fhm h VAL 74 N 2.13 0.27 0.00 4.45 3.04 -1.44 -2.13 116.25 122.58 3fhm h VAL 74 Ca -0.48 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.18 3fhm h VAL 74 Cb 1.21 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 30.92 3fhm h VAL 74 CO 0.62 0.00 -0.14 0.28 -1.01 0.00 0.00 177.57 177.32 3fhm h SER 75 N 0.00 0.00 1.37 3.17 0.02 -1.85 -2.21 113.55 114.06 3fhm h SER 75 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3fhm h SER 75 Cb 1.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.31 3fhm h SER 75 CO -0.00 0.14 -0.34 -0.37 -1.14 0.00 0.00 176.83 175.12 3fhm h VAL 76 N 0.00 0.00 0.00 2.27 -1.51 -1.75 -3.35 116.25 111.91 3fhm h VAL 76 Ca -0.00 -0.71 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 3fhm h VAL 76 Cb 0.40 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 31.07 3fhm h VAL 76 CO 0.02 0.00 -1.41 0.00 -1.23 0.00 0.00 177.57 174.95 3fhm n ALA 77 N -1.95 2.24 -1.66 5.19 0.00 -1.04 -5.04 120.51 118.25 3fhm n ALA 77 Ca 0.04 -0.24 -0.33 0.00 0.00 0.00 0.00 53.44 52.90 3fhm n ALA 77 Cb 0.48 -0.24 0.01 0.00 0.00 0.00 0.00 19.45 19.71 3fhm n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fhm s MET 78 N -2.53 3.27 -0.27 0.00 0.23 -0.86 -4.90 119.30 114.24 3fhm s MET 78 Ca -0.03 1.33 -0.25 0.00 -1.03 0.00 0.00 55.69 55.71 3fhm s MET 78 Cb 0.05 -2.02 0.00 0.00 -1.53 0.00 0.00 34.83 31.33 3fhm s MET 78 CO 0.35 -0.87 0.87 0.99 -2.03 0.00 0.00 175.02 174.33 3fhm s THR 79 N -2.26 4.76 0.10 3.16 2.01 -0.56 -4.90 115.64 117.96 3fhm s THR 79 Ca 0.66 1.50 -0.00 0.00 0.31 0.00 0.00 61.69 64.16 3fhm s THR 79 Cb -0.18 -4.18 -0.24 0.00 0.01 0.00 0.00 72.50 67.90 3fhm s THR 79 CO 0.34 -0.20 1.22 0.11 -0.69 0.00 0.00 174.62 175.40 3fhm h LYS 80 N 7.87 0.19 -5.75 4.92 1.57 -1.87 -1.68 116.57 121.82 3fhm h LYS 80 Ca -0.23 -0.31 -0.64 0.00 -1.87 0.00 0.00 60.65 57.61 3fhm h LYS 80 Cb 1.09 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 33.39 3fhm h LYS 80 CO 0.91 1.12 1.41 -0.80 -0.57 0.00 0.00 179.45 181.52 3fhm s ASN 81 N -7.00 6.60 -0.24 0.86 0.01 -1.26 -4.58 114.94 109.32 3fhm s ASN 81 Ca -0.03 -1.78 -0.18 0.00 -0.71 0.00 0.00 52.86 50.16 3fhm s ASN 81 Cb 0.08 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 3fhm s ASN 81 CO 0.86 -1.33 0.51 -0.69 -1.51 0.00 0.00 177.10 174.95 3fhm s VAL 82 N 4.17 5.08 0.16 1.60 1.01 -1.26 -5.06 120.40 126.11 3fhm s VAL 82 Ca 0.44 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 63.14 3fhm s VAL 82 Cb -0.01 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 3fhm s VAL 82 CO -0.07 0.12 0.62 0.54 0.00 0.00 0.00 175.10 176.31 3fhm s VAL 83 N 2.06 4.71 0.27 2.92 0.11 -1.26 -5.08 120.40 124.14 3fhm s VAL 83 Ca 0.22 1.10 0.02 0.00 -2.93 0.00 0.00 61.98 60.39 3fhm s VAL 83 Cb -0.16 -3.83 -0.05 0.00 -1.53 0.00 0.00 36.38 30.82 3fhm s VAL 83 CO 0.09 0.31 0.12 0.00 -3.33 0.00 0.00 175.10 172.29 3fhm s ARG 84 N -1.76 1.48 0.36 1.54 3.03 -1.26 -4.19 118.95 118.15 3fhm s ARG 84 Ca 0.38 -1.82 0.04 0.00 2.03 0.00 0.00 55.73 56.36 3fhm s ARG 84 Cb -0.17 -0.21 -0.03 0.00 -1.03 0.00 0.00 34.95 33.51 3fhm s ARG 84 CO 0.20 -0.35 0.14 0.00 -1.13 0.00 0.00 175.30 174.16 3fhm s GLN 86 N -3.75 2.12 0.57 0.00 1.11 -1.26 -1.44 119.66 117.01 3fhm s GLN 86 Ca 0.30 -2.32 0.34 0.00 0.01 0.00 0.00 55.36 53.69 3fhm s GLN 86 Cb 0.04 -1.49 1.70 0.00 -1.01 0.00 0.00 33.01 32.26 3fhm s GLN 86 CO 0.16 -0.30 2.14 0.45 0.01 0.00 0.00 175.29 177.75 3fhm h HIS 87 N 1.48 0.00 -0.23 0.91 3.86 -1.96 -2.64 115.15 116.56 3fhm h HIS 87 Ca -0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 3fhm h HIS 87 Cb 1.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.77 3fhm h HIS 87 CO 1.34 0.06 0.00 0.27 0.86 0.00 0.00 177.93 180.46 3fhm n ASN 88 N -3.35 2.65 -4.76 2.45 6.94 -1.26 -0.98 115.26 116.95 3fhm n ASN 88 Ca -0.02 -1.80 -0.39 0.00 -0.02 0.00 0.00 54.58 52.36 3fhm n ASN 88 Cb 0.21 -0.15 0.02 0.00 -2.36 0.00 0.00 39.78 37.49 3fhm n ASN 88 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3fhm s SER 89 N -1.05 5.81 0.08 0.53 0.01 -1.00 -4.81 113.70 113.27 3fhm s SER 89 Ca 0.22 2.75 0.01 0.00 1.31 0.00 0.00 55.95 60.24 3fhm s SER 89 Cb 0.13 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 3fhm s SER 89 CO 0.18 -1.20 0.21 0.42 0.41 0.00 0.00 173.24 173.25 3fhm s THR 90 N -1.28 5.26 0.28 1.44 -4.23 -1.26 -1.14 115.64 114.70 3fhm s THR 90 Ca 0.64 -0.50 0.12 0.00 -1.18 0.00 0.00 61.69 60.76 3fhm s THR 90 Cb -0.40 -3.59 0.29 0.00 1.34 0.00 0.00 72.50 70.14 3fhm s THR 90 CO 0.50 0.09 1.24 0.41 -0.54 0.00 0.00 174.62 176.32 3fhm n THR 91 N 0.15 -0.33 -0.04 3.99 -1.04 -0.15 -0.79 114.28 116.07 3fhm n THR 91 Ca -0.06 1.64 -0.13 0.00 -2.04 0.00 0.00 64.05 63.46 3fhm n THR 91 Cb 0.52 -2.57 -0.08 0.00 -1.82 0.00 0.00 70.33 66.37 3fhm n THR 91 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3fhm h ASP 92 N 0.00 0.21 -0.31 8.00 3.32 -1.95 -2.77 116.42 122.92 3fhm h ASP 92 Ca 0.61 -0.46 0.06 0.00 0.02 0.00 0.00 57.03 57.26 3fhm h ASP 92 Cb 1.51 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.95 3fhm h ASP 92 CO -0.65 0.62 -0.06 1.56 -1.72 0.00 0.00 179.24 178.99 3fhm h GLN 93 N -0.20 0.02 -0.83 3.56 4.20 -1.68 -2.69 115.11 117.50 3fhm h GLN 93 Ca 0.02 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.83 3fhm h GLN 93 Cb 0.56 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.26 3fhm h GLN 93 CO 0.02 0.01 0.47 1.25 -0.67 0.00 0.00 178.83 179.90 3fhm h LEU 94 N 0.02 0.65 -0.68 1.46 5.85 -0.96 -0.41 115.31 121.23 3fhm h LEU 94 Ca 0.15 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.95 3fhm h LEU 94 Cb 0.22 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3fhm h LEU 94 CO -0.31 0.36 0.42 0.24 -0.34 0.00 0.00 178.44 178.82 3fhm h MET 95 N 0.77 0.80 -0.50 1.25 2.86 -1.18 -1.90 114.93 117.03 3fhm h MET 95 Ca 0.41 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 3fhm h MET 95 Cb 0.40 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3fhm h MET 95 CO -0.26 0.53 0.19 0.93 1.06 0.00 0.00 176.91 179.36 3fhm h GLU 96 N 0.83 0.76 -0.10 1.72 5.08 -0.89 -0.72 114.58 121.27 3fhm h GLU 96 Ca 0.27 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3fhm h GLU 96 Cb 0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3fhm h GLU 96 CO -0.11 0.69 -0.05 0.82 -1.00 0.00 0.00 179.01 179.36 3fhm h ILE 97 N 0.68 0.83 -0.71 3.13 5.03 -1.06 -0.45 117.51 124.96 3fhm h ILE 97 Ca 0.17 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.84 3fhm h ILE 97 Cb 0.22 0.83 -0.03 0.00 -3.03 0.00 0.00 36.82 34.81 3fhm h ILE 97 CO -0.01 0.00 0.20 0.24 -0.68 0.00 0.00 178.15 177.90 3fhm h MET 98 N -0.05 1.12 0.16 2.37 2.86 -1.22 -0.37 114.93 119.80 3fhm h MET 98 Ca 0.06 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 3fhm h MET 98 Cb 0.13 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3fhm h MET 98 CO -0.13 0.98 -0.08 1.15 1.06 0.00 0.00 176.91 179.89 3fhm h THR 99 N 1.06 0.98 -0.19 2.22 2.02 -0.96 -1.71 112.91 116.34 3fhm h THR 99 Ca 0.23 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3fhm h THR 99 Cb 0.34 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3fhm h THR 99 CO -0.00 0.19 0.08 1.23 0.37 0.00 0.00 175.52 177.39 3fhm h GLY 100 N -0.64 0.30 2.00 2.16 0.00 -1.08 -3.02 103.07 102.79 3fhm h GLY 100 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3fhm h GLY 100 CO 0.04 0.15 0.00 -1.33 0.00 0.00 0.00 176.54 175.39 3fhm h GLY 101 N 0.16 0.00 -5.65 4.60 0.00 -1.18 -3.48 103.07 97.52 3fhm h GLY 101 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.07 3fhm h GLY 101 CO -0.01 0.00 -0.78 0.54 0.00 0.00 0.00 176.54 176.30 3fhm n ARG 102 N -2.81 -6.38 -4.02 4.80 1.74 -0.66 -5.05 116.66 104.29 3fhm n ARG 102 Ca 0.03 0.85 -0.10 0.00 -0.77 0.00 0.00 57.85 57.86 3fhm n ARG 102 Cb 0.39 -5.85 -0.08 0.00 -1.02 0.00 0.00 32.46 25.90 3fhm n ARG 102 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3fhm s PHE 103 N -3.37 0.56 -0.00 -1.55 -0.71 -1.12 -5.08 117.98 106.72 3fhm s PHE 103 Ca 0.02 -0.91 0.00 0.00 -1.04 0.00 0.00 56.93 55.00 3fhm s PHE 103 Cb -0.00 -0.17 0.00 0.00 -1.21 0.00 0.00 43.02 41.64 3fhm s PHE 103 CO 0.73 -0.69 0.82 0.54 -1.34 0.00 0.00 175.22 175.29 3fhm n ARG 104 N -0.20 1.89 -4.41 1.99 1.74 -1.26 -4.46 116.66 111.93 3fhm n ARG 104 Ca -0.06 -1.15 -0.24 0.00 -0.77 0.00 0.00 57.85 55.63 3fhm n ARG 104 Cb 0.63 -0.82 -0.17 0.00 -1.02 0.00 0.00 32.46 31.08 3fhm n ARG 104 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fhm s HIS 105 N -0.66 1.27 -0.17 -1.55 3.76 -1.26 -1.78 115.29 114.90 3fhm s HIS 105 Ca 0.00 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.44 3fhm s HIS 105 Cb 0.00 -0.98 0.04 0.00 1.11 0.00 0.00 32.58 32.76 3fhm s HIS 105 CO 0.00 -0.28 -0.04 0.14 -0.85 0.00 0.00 174.74 173.71 3fhm s VAL 106 N 0.83 1.08 0.49 -0.90 -7.23 0.06 -4.99 120.40 109.74 3fhm s VAL 106 Ca -0.12 -0.65 -0.24 0.00 -1.81 0.00 0.00 61.98 59.16 3fhm s VAL 106 Cb -0.15 -1.29 -0.07 0.00 0.56 0.00 0.00 36.38 35.43 3fhm s VAL 106 CO 0.02 0.09 1.39 -2.84 -0.31 0.00 0.00 175.10 173.44 3fhm s PRO 107 N 1.64 3.48 -0.15 4.82 0.02 -1.26 -1.24 135.00 142.30 3fhm s PRO 107 Ca 0.00 2.31 -0.07 0.00 0.02 0.00 0.00 61.00 63.27 3fhm s PRO 107 Cb -0.16 -2.49 -0.04 0.00 0.02 0.00 0.00 34.50 31.83 3fhm s PRO 107 CO -0.08 -0.95 0.10 0.08 -0.33 0.00 0.00 177.00 175.82 3fhm s VAL 108 N -1.25 5.11 0.11 3.83 1.01 0.47 -2.13 120.40 127.55 3fhm s VAL 108 Ca 0.65 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.77 3fhm s VAL 108 Cb -0.42 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3fhm s VAL 108 CO 0.52 0.53 -0.17 -0.70 0.00 0.00 0.00 175.10 175.28 3fhm s GLU 109 N -0.30 1.06 -0.10 2.72 2.12 -0.52 0.13 118.70 123.81 3fhm s GLU 109 Ca 0.10 -1.19 -0.23 0.00 0.36 0.00 0.00 54.97 54.01 3fhm s GLU 109 Cb -0.12 -1.11 0.05 0.00 0.26 0.00 0.00 34.13 33.22 3fhm s GLU 109 CO 0.01 0.24 0.55 -1.83 -0.54 0.00 0.00 175.26 173.69 3fhm s GLU 110 N -2.28 0.82 -0.59 4.30 -1.05 -1.05 -4.35 118.70 114.49 3fhm s GLU 110 Ca 0.07 0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.22 3fhm s GLU 110 Cb -0.08 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 3fhm s GLU 110 CO 0.04 -0.21 0.00 0.09 0.95 0.00 0.00 175.26 176.13 3fhm n ASN 111 N 1.65 -2.29 0.00 0.83 3.02 -1.26 -0.25 115.26 116.96 3fhm n ASN 111 Ca -0.18 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3fhm n ASN 111 Cb 0.56 -2.11 0.00 0.00 -0.61 0.00 0.00 39.78 37.62 3fhm n ASN 111 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fhm n GLY 112 N -0.50 1.07 3.89 7.41 0.00 -1.26 -5.04 105.19 110.75 3fhm n GLY 112 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3fhm n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fhm s ARG 113 N -0.33 3.71 -0.12 1.61 0.52 0.65 -5.07 118.95 119.92 3fhm s ARG 113 Ca 0.00 0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 55.09 3fhm s ARG 113 Cb 0.00 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.86 3fhm s ARG 113 CO 0.00 0.20 1.08 -1.17 0.02 0.00 0.00 175.30 175.43 3fhm s LEU 114 N -3.38 4.22 0.00 2.53 2.96 -1.26 -2.54 118.68 121.21 3fhm s LEU 114 Ca 0.46 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 3fhm s LEU 114 Cb -0.11 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.03 3fhm s LEU 114 CO 0.27 -0.55 0.46 0.00 -1.32 0.00 0.00 176.35 175.22 3fhm n ALA 115 N 5.41 1.24 0.00 5.97 0.00 0.12 -4.98 120.51 128.27 3fhm n ALA 115 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3fhm n ALA 115 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3fhm n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fhm n GLY 116 N -0.10 -1.53 2.92 0.00 0.00 -1.24 -4.83 105.19 100.40 3fhm n GLY 116 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 3fhm n GLY 116 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fhm s ILE 117 N -2.48 -0.04 -0.13 -0.61 2.07 -1.26 -0.40 121.20 118.35 3fhm s ILE 117 Ca 0.00 0.15 -0.02 0.00 -1.41 0.00 0.00 60.65 59.37 3fhm s ILE 117 Cb 0.00 -0.21 -0.02 0.00 0.13 0.00 0.00 42.46 42.36 3fhm s ILE 117 CO 0.00 0.06 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.38 3fhm s ILE 118 N 0.95 3.51 0.29 2.00 -1.09 -0.37 -4.96 121.20 121.53 3fhm s ILE 118 Ca -0.07 -0.50 0.09 0.00 -2.23 0.00 0.00 60.65 57.94 3fhm s ILE 118 Cb -0.10 -2.50 -0.05 0.00 -1.58 0.00 0.00 42.46 38.24 3fhm s ILE 118 CO -0.04 0.52 0.01 -0.94 -1.23 0.00 0.00 174.94 173.25 3fhm s SER 119 N 0.19 4.42 0.41 3.58 1.04 -1.26 -0.76 113.70 121.33 3fhm s SER 119 Ca -0.05 -0.76 0.17 0.00 0.48 0.00 0.00 55.95 55.80 3fhm s SER 119 Cb -0.14 -0.73 1.07 0.00 0.10 0.00 0.00 66.02 66.32 3fhm s SER 119 CO 0.04 -0.08 1.85 -0.29 0.98 0.00 0.00 173.24 175.74 3fhm h ILE 120 N 1.85 0.68 -0.80 -1.02 2.10 -1.74 0.44 117.51 119.03 3fhm h ILE 120 Ca -0.44 -0.14 0.01 0.00 1.08 0.00 0.00 64.86 65.37 3fhm h ILE 120 Cb 1.25 0.23 -0.04 0.00 -1.09 0.00 0.00 36.82 37.17 3fhm h ILE 120 CO 0.62 0.08 0.53 1.23 -1.08 0.00 0.00 178.15 179.52 3fhm h GLY 121 N 0.42 1.12 0.71 8.18 0.00 -1.96 -0.76 103.07 110.78 3fhm h GLY 121 Ca 0.47 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3fhm h GLY 121 CO -0.18 0.39 -0.03 -0.55 0.00 0.00 0.00 176.54 176.17 3fhm h ASP 122 N 1.06 -0.06 -0.07 0.19 3.32 -0.52 -0.87 116.42 119.47 3fhm h ASP 122 Ca 0.30 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 57.11 3fhm h ASP 122 Cb -0.09 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 3fhm h ASP 122 CO -0.07 0.24 -0.22 0.58 -1.72 0.00 0.00 179.24 178.05 3fhm h VAL 123 N -0.37 0.47 -0.15 -1.35 2.07 -1.33 -1.47 116.25 114.12 3fhm h VAL 123 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3fhm h VAL 123 Cb 0.33 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3fhm h VAL 123 CO 0.01 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 178.13 3fhm h VAL 124 N -0.31 0.80 -0.21 2.57 2.07 -1.08 -2.29 116.25 117.80 3fhm h VAL 124 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 3fhm h VAL 124 Cb 0.43 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3fhm h VAL 124 CO -0.25 0.00 0.12 0.50 0.02 0.00 0.00 177.57 177.96 3fhm h LYS 125 N -0.03 0.28 -0.36 1.57 3.64 -0.89 -0.73 116.57 120.05 3fhm h LYS 125 Ca 0.08 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 3fhm h LYS 125 Cb 0.15 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3fhm h LYS 125 CO -0.18 0.21 -0.09 0.00 -2.27 0.00 0.00 179.45 177.13 3fhm h ALA 126 N 1.84 1.18 -0.01 5.00 0.00 -0.70 -2.71 119.26 123.85 3fhm h ALA 126 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3fhm h ALA 126 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3fhm h ALA 126 CO -0.01 0.53 0.00 0.54 0.00 0.00 0.00 179.25 180.30 3fhm n ARG 127 N -4.20 1.07 0.00 0.00 5.12 -0.29 -4.81 116.66 113.55 3fhm n ARG 127 Ca 0.01 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 3fhm n ARG 127 Cb 0.32 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 3fhm n ARG 127 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14