#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 1.59 0.11 3.41 1.43 -1.26 -5.18 118.68 118.78 3fhm s LEU -4 Ca 0.00 0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.35 3fhm s LEU -4 Cb 0.00 0.39 -0.04 0.00 0.03 0.00 0.00 46.19 46.57 3fhm s LEU -4 CO 0.00 -0.06 -0.15 -0.31 0.23 0.00 0.00 176.35 176.07 3fhm s TYR -3 N -0.03 1.40 0.67 0.29 1.51 -1.26 -5.17 117.35 114.75 3fhm s TYR -3 Ca -0.01 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.56 3fhm s TYR -3 Cb -0.01 -0.74 0.12 0.00 -0.11 0.00 0.00 41.96 41.21 3fhm s TYR -3 CO 0.00 0.13 0.92 -0.06 -1.11 0.00 0.00 175.55 175.44 3fhm s PHE -2 N -1.92 1.39 -0.29 2.71 0.40 -1.26 -5.08 117.98 113.93 3fhm s PHE -2 Ca 0.07 -0.51 -0.09 0.00 -0.60 0.00 0.00 56.93 55.80 3fhm s PHE -2 Cb -0.06 -2.65 -0.02 0.00 0.51 0.00 0.00 43.02 40.80 3fhm s PHE -2 CO 0.03 -1.52 0.13 1.14 0.70 0.00 0.00 175.22 175.69 3fhm s GLN -1 N -4.95 3.47 -0.27 0.44 1.03 -1.26 -4.31 119.66 113.81 3fhm s GLN -1 Ca 0.65 -0.62 -0.01 0.00 0.04 0.00 0.00 55.36 55.43 3fhm s GLN -1 Cb -0.05 -3.49 -0.01 0.00 0.03 0.00 0.00 33.01 29.49 3fhm s GLN -1 CO 0.42 -0.33 0.23 0.41 -2.54 0.00 0.00 175.29 173.49 3fhm n GLY 0 N 4.96 0.33 0.44 2.60 0.00 -1.26 -4.98 105.19 107.29 3fhm n GLY 0 Ca -0.15 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.83 0.62 -3.74 1.61 2.00 -1.26 -5.01 117.12 109.52 3fhm n MET 1 Ca -0.04 -1.90 -0.25 0.00 0.00 0.00 0.00 57.70 55.51 3fhm n MET 1 Cb 0.53 -0.93 0.00 0.00 0.00 0.00 0.00 33.22 32.83 3fhm n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3fhm n ALA 2 N -0.59 -2.75 0.09 3.04 0.00 -1.26 -4.94 120.51 114.10 3fhm n ALA 2 Ca 0.08 -0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.31 3fhm n ALA 2 Cb 0.72 -1.14 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.87 0.00 -4.34 0.00 -2.24 -1.26 -4.88 114.28 98.69 3fhm n THR 3 Ca -0.25 -0.27 -0.27 0.00 -2.27 0.00 0.00 64.05 60.99 3fhm n THR 3 Cb 0.65 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 69.13 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 -2.75 2.51 0.20 4.78 0.08 -1.26 -1.26 117.98 120.28 3fhm s PHE 4 Ca -0.03 -0.27 -0.11 0.00 0.12 0.00 0.00 56.93 56.63 3fhm s PHE 4 Cb 0.08 -1.22 0.24 0.00 -0.57 0.00 0.00 43.02 41.55 3fhm s PHE 4 CO 0.52 0.52 1.72 0.28 -0.10 0.00 0.00 175.22 178.16 3fhm h VAL 5 N 2.86 0.70 -1.02 -0.44 2.07 -1.14 -1.55 116.25 117.73 3fhm h VAL 5 Ca -0.46 -0.09 0.31 0.00 0.82 0.00 0.00 66.70 67.28 3fhm h VAL 5 Cb 1.21 0.41 -0.14 0.00 -1.52 0.00 0.00 31.29 31.25 3fhm h VAL 5 CO 0.52 0.05 0.59 0.50 0.02 0.00 0.00 177.57 179.26 3fhm h LYS 6 N 0.27 0.35 -0.36 1.57 3.11 -1.29 -1.58 116.57 118.63 3fhm h LYS 6 Ca 0.28 -0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 57.96 3fhm h LYS 6 Cb 0.38 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 3fhm h LYS 6 CO -0.35 0.23 -0.30 -0.44 -2.81 0.00 0.00 179.45 175.78 3fhm h ASP 7 N 0.36 0.89 -0.52 4.20 3.45 -1.57 -2.62 116.42 120.61 3fhm h ASP 7 Ca 0.72 -0.45 -0.12 0.00 0.43 0.00 0.00 57.03 57.60 3fhm h ASP 7 Cb 1.63 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 40.14 3fhm h ASP 7 CO -0.56 1.15 -0.15 -0.07 -1.57 0.00 0.00 179.24 178.04 3fhm h LEU 8 N 0.64 1.04 -0.94 1.55 3.38 -1.18 -2.99 115.31 116.80 3fhm h LEU 8 Ca 0.06 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3fhm h LEU 8 Cb 0.88 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3fhm h LEU 8 CO 0.08 1.17 0.58 -0.07 0.09 0.00 0.00 178.44 180.29 3fhm h LEU 9 N 0.89 1.12 -1.93 1.67 3.38 -1.30 -0.99 115.31 118.16 3fhm h LEU 9 Ca 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3fhm h LEU 9 Cb 0.73 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3fhm h LEU 9 CO 0.06 0.85 -0.03 0.44 0.09 0.00 0.00 178.44 179.84 3fhm h ASP 10 N 1.29 0.00 0.00 -0.43 3.45 -1.33 0.04 116.42 119.44 3fhm h ASP 10 Ca 0.34 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.71 3fhm h ASP 10 Cb -0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 3fhm h ASP 10 CO -0.07 0.03 -0.49 -0.09 -1.57 0.00 0.00 179.24 177.06 3fhm h ARG 11 N 0.00 0.00 0.07 3.56 2.43 -1.29 -3.43 114.38 115.72 3fhm h ARG 11 Ca -0.00 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 3fhm h ARG 11 Cb 0.06 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3fhm h ARG 11 CO 0.00 0.92 -2.20 0.36 -1.51 0.00 0.00 179.97 177.54 3fhm n LYS 12 N -4.55 0.71 0.00 0.20 2.85 -0.43 -5.10 118.16 111.84 3fhm n LYS 12 Ca -0.18 0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 3fhm n LYS 12 Cb 0.53 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 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 2.09 4.36 0.50 2.58 0.00 -0.01 -4.98 105.19 109.74 3fhm n GLY 13 Ca -0.37 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.31 3fhm n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fhm n ARG 14 N -1.87 1.32 -2.41 1.61 1.74 -1.26 -4.78 116.66 111.02 3fhm n ARG 14 Ca 0.00 -1.01 -0.36 0.00 -0.77 0.00 0.00 57.85 55.70 3fhm n ARG 14 Cb 0.00 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 3fhm n ARG 14 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3fhm s ASP 15 N -2.38 6.35 -0.09 0.55 1.11 -1.26 -4.03 116.67 116.93 3fhm s ASP 15 Ca 0.23 2.13 0.03 0.00 0.18 0.00 0.00 52.55 55.12 3fhm s ASP 15 Cb 0.19 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.60 3fhm s ASP 15 CO 0.50 -0.78 -0.17 -0.69 1.18 0.00 0.00 175.17 175.21 3fhm s VAL 16 N -1.68 1.57 0.04 -1.27 1.01 -1.26 -4.57 120.40 114.24 3fhm s VAL 16 Ca 0.63 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 3fhm s VAL 16 Cb -0.24 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3fhm s VAL 16 CO 0.29 0.45 0.95 -0.69 0.00 0.00 0.00 175.10 176.10 3fhm s VAL 17 N 0.68 4.73 0.08 2.92 1.01 -1.26 -5.04 120.40 123.52 3fhm s VAL 17 Ca -0.13 2.01 0.05 0.00 0.00 0.00 0.00 61.98 63.90 3fhm s VAL 17 Cb -0.16 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3fhm s VAL 17 CO 0.03 0.24 -0.12 0.42 0.00 0.00 0.00 175.10 175.67 3fhm s THR 18 N 0.55 1.03 0.14 3.92 -4.23 -1.26 -2.81 115.64 112.98 3fhm s THR 18 Ca 0.49 -1.41 0.11 0.00 -1.18 0.00 0.00 61.69 59.69 3fhm s THR 18 Cb -0.22 -1.14 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 3fhm s THR 18 CO 0.28 -0.35 -0.25 0.68 -0.54 0.00 0.00 174.62 174.44 3fhm s VAL 19 N -1.67 2.36 0.88 2.29 -7.23 -1.01 -4.94 120.40 111.08 3fhm s VAL 19 Ca 0.00 -1.75 -0.12 0.00 -1.81 0.00 0.00 61.98 58.30 3fhm s VAL 19 Cb -0.08 -2.06 0.12 0.00 0.56 0.00 0.00 36.38 34.92 3fhm s VAL 19 CO 0.02 0.07 1.12 -0.83 -0.31 0.00 0.00 175.10 175.16 3fhm s GLY 20 N -2.15 1.59 0.14 2.32 0.00 -1.26 -2.33 107.32 105.63 3fhm s GLY 20 Ca 0.15 -0.40 0.27 0.00 0.00 0.00 0.00 44.72 44.74 3fhm s GLY 20 CO 0.07 0.11 1.81 -1.55 0.00 0.00 0.00 173.10 173.55 3fhm n PRO 21 N -3.68 0.16 -0.01 2.90 -0.05 -1.26 -3.55 135.00 129.53 3fhm n PRO 21 Ca 0.07 0.16 0.09 0.00 -0.05 0.00 0.00 63.50 63.77 3fhm n PRO 21 Cb 0.58 -1.70 -0.13 0.00 -0.05 0.00 0.00 33.50 32.20 3fhm n PRO 21 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3fhm n ASP 22 N -1.98 0.70 -4.45 3.54 8.00 -1.26 -3.73 116.55 117.37 3fhm n ASP 22 Ca 0.06 -0.41 -0.51 0.00 0.71 0.00 0.00 54.79 54.65 3fhm n ASP 22 Cb 0.38 1.51 -0.04 0.00 -0.02 0.00 0.00 41.12 42.94 3fhm n ASP 22 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3fhm n VAL 23 N -1.86 1.41 -2.17 2.53 0.31 -1.23 -4.78 118.33 112.55 3fhm n VAL 23 Ca -0.00 -0.35 -0.30 0.00 -0.01 0.00 0.00 64.34 63.67 3fhm n VAL 23 Cb 0.41 -0.14 -0.00 0.00 -0.91 0.00 0.00 33.84 33.20 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 -0.64 6.30 0.25 4.52 1.04 -1.26 -1.17 113.70 122.74 3fhm s SER 24 Ca 0.71 1.31 -0.03 0.00 0.48 0.00 0.00 55.95 58.42 3fhm s SER 24 Cb -0.99 -2.41 0.50 0.00 0.10 0.00 0.00 66.02 63.22 3fhm s SER 24 CO 0.56 -0.74 1.74 0.40 0.98 0.00 0.00 173.24 176.17 3fhm h ILE 25 N 0.03 0.66 -0.14 -1.02 2.04 -1.13 -0.03 117.51 117.91 3fhm h ILE 25 Ca -0.45 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 3fhm h ILE 25 Cb 1.19 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3fhm h ILE 25 CO 0.62 0.09 -0.04 1.23 0.00 0.00 0.00 178.15 180.05 3fhm h GLY 26 N 0.49 0.22 1.36 5.37 0.00 -1.63 -1.41 103.07 107.46 3fhm h GLY 26 Ca 0.44 -0.11 -0.29 0.00 0.00 0.00 0.00 47.33 47.37 3fhm h GLY 26 CO -0.40 0.11 -1.45 0.83 0.00 0.00 0.00 176.54 175.63 3fhm h GLU 27 N 0.20 0.20 -0.48 4.80 5.08 -1.39 -2.99 114.58 120.00 3fhm h GLU 27 Ca 0.05 -0.34 0.05 0.00 -1.00 0.00 0.00 59.36 58.12 3fhm h GLU 27 Cb 0.22 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3fhm h GLU 27 CO 0.01 1.06 0.20 0.00 -1.00 0.00 0.00 179.01 179.28 3fhm h ALA 28 N 0.61 0.59 -0.98 3.43 0.00 -0.80 -1.45 119.26 120.66 3fhm h ALA 28 Ca -0.20 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3fhm h ALA 28 Cb 1.98 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.69 3fhm h ALA 28 CO 0.16 -0.17 0.64 0.00 0.00 0.00 0.00 179.25 179.87 3fhm h ALA 29 N 1.29 1.43 -0.31 0.00 0.00 -1.32 0.12 119.26 120.47 3fhm h ALA 29 Ca 0.22 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3fhm h ALA 29 Cb 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3fhm h ALA 29 CO -0.19 0.41 -0.09 0.78 0.00 0.00 0.00 179.25 180.16 3fhm h GLY 30 N 1.14 0.56 0.66 0.00 0.00 -1.18 -2.32 103.07 101.92 3fhm h GLY 30 Ca 0.43 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3fhm h GLY 30 CO -0.17 0.35 -0.03 -0.84 0.00 0.00 0.00 176.54 175.84 3fhm h THR 31 N 0.48 1.32 -0.97 4.70 2.02 -0.47 -1.98 112.91 118.01 3fhm h THR 31 Ca 0.09 -1.03 0.26 0.00 0.77 0.00 0.00 66.41 66.51 3fhm h THR 31 Cb 0.46 1.87 -0.18 0.00 -1.74 0.00 0.00 68.15 68.55 3fhm h THR 31 CO 0.02 0.28 0.02 -0.07 0.37 0.00 0.00 175.52 176.14 3fhm h LEU 32 N -0.23 -0.49 0.11 2.58 3.38 -0.73 -2.11 115.31 117.82 3fhm h LEU 32 Ca 0.02 0.27 -0.19 0.00 0.09 0.00 0.00 57.88 58.07 3fhm h LEU 32 Cb 0.47 0.48 0.02 0.00 0.09 0.00 0.00 40.66 41.72 3fhm h LEU 32 CO 0.01 -0.34 -0.82 -0.74 0.09 0.00 0.00 178.44 176.64 3fhm h HIS 33 N 0.02 0.61 -0.74 1.13 2.76 -1.17 -1.87 115.15 115.90 3fhm h HIS 33 Ca 0.58 -0.41 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3fhm h HIS 33 Cb 1.17 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.06 3fhm h HIS 33 CO -0.50 1.29 0.49 0.00 -1.30 0.00 0.00 177.93 177.91 3fhm h ALA 34 N 0.16 1.49 -0.01 5.26 0.00 -1.25 -2.46 119.26 122.44 3fhm h ALA 34 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3fhm h ALA 34 Cb 1.61 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3fhm h ALA 34 CO 0.16 0.47 -0.05 0.72 0.00 0.00 0.00 179.25 180.55 3fhm n HIS 35 N -4.43 0.00 -3.92 0.00 8.25 -0.80 -4.96 115.22 109.37 3fhm n HIS 35 Ca 0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.26 3fhm n HIS 35 Cb 0.04 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.16 -4.75 -4.54 -0.41 5.02 -0.79 -5.01 118.16 107.51 3fhm n LYS 36 Ca 0.18 0.54 -0.25 0.00 -2.02 0.00 0.00 58.31 56.76 3fhm n LYS 36 Cb 0.32 -5.23 -0.11 0.00 -0.02 0.00 0.00 35.03 30.00 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 -3.48 1.97 -2.51 -0.18 -4.36 -0.77 -5.04 121.20 106.83 3fhm s ILE 37 Ca 0.43 -2.11 0.24 0.00 -0.26 0.00 0.00 60.65 58.95 3fhm s ILE 37 Cb -0.22 -2.74 0.12 0.00 1.25 0.00 0.00 42.46 40.87 3fhm s ILE 37 CO 0.85 -0.14 1.21 0.61 0.24 0.00 0.00 174.94 177.71 3fhm n GLY 38 N -0.80 0.48 3.18 6.27 0.00 -1.26 -4.66 105.19 108.39 3fhm n GLY 38 Ca -0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.23 -0.59 -0.02 4.61 0.00 -1.26 -1.80 121.76 120.47 3fhm s ALA 39 Ca 0.24 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 3fhm s ALA 39 Cb 0.19 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.35 3fhm s ALA 39 CO 0.43 -0.22 0.04 0.14 0.00 0.00 0.00 175.76 176.15 3fhm s VAL 40 N -1.19 0.00 -0.11 0.00 -7.23 -0.67 -4.93 120.40 106.27 3fhm s VAL 40 Ca -0.13 -0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 59.87 3fhm s VAL 40 Cb -0.06 -0.07 -0.04 0.00 0.56 0.00 0.00 36.38 36.77 3fhm s VAL 40 CO 0.03 -0.00 0.43 -0.69 -0.31 0.00 0.00 175.10 174.56 3fhm s VAL 41 N 0.02 5.19 -0.40 1.32 1.01 -1.12 -1.78 120.40 124.63 3fhm s VAL 41 Ca -0.00 0.85 -0.23 0.00 0.00 0.00 0.00 61.98 62.60 3fhm s VAL 41 Cb -0.00 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.63 3fhm s VAL 41 CO 0.00 0.37 0.79 -0.69 0.00 0.00 0.00 175.10 175.57 3fhm s VAL 42 N 0.39 4.69 0.11 2.92 1.01 0.67 -2.40 120.40 127.79 3fhm s VAL 42 Ca 0.24 0.70 0.09 0.00 0.00 0.00 0.00 61.98 63.01 3fhm s VAL 42 Cb -0.15 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3fhm s VAL 42 CO 0.09 -0.56 -0.20 0.42 0.00 0.00 0.00 175.10 174.85 3fhm s THR 43 N 3.21 2.69 0.75 3.92 -4.23 -0.98 0.73 115.64 121.73 3fhm s THR 43 Ca 0.31 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3fhm s THR 43 Cb -0.13 -2.22 0.15 0.00 1.34 0.00 0.00 72.50 71.65 3fhm s THR 43 CO 0.20 0.12 1.03 -0.90 -0.54 0.00 0.00 174.62 174.53 3fhm n ASP 44 N 0.88 1.18 -0.24 3.99 5.68 -0.93 -4.04 116.55 123.08 3fhm n ASP 44 Ca -0.16 -2.04 0.32 0.00 -0.50 0.00 0.00 54.79 52.40 3fhm n ASP 44 Cb 0.53 -0.69 0.73 0.00 -1.14 0.00 0.00 41.12 40.55 3fhm n ASP 44 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fhm h ALA 45 N -0.76 2.94 -0.00 2.12 0.00 -2.01 -2.34 119.26 119.20 3fhm h ALA 45 Ca -0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3fhm h ALA 45 Cb 1.21 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fhm h ALA 45 CO 0.35 -1.33 -0.71 -0.25 0.00 0.00 0.00 179.25 177.31 3fhm n ASP 46 N -4.06 1.20 0.00 0.00 9.92 -1.26 -4.97 116.55 117.37 3fhm n ASP 46 Ca 0.22 -1.10 0.00 0.00 -0.53 0.00 0.00 54.79 53.38 3fhm n ASP 46 Cb 1.15 0.82 0.00 0.00 -0.64 0.00 0.00 41.12 42.45 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 1.38 0.63 3.74 0.44 0.00 -0.88 -5.09 105.19 105.41 3fhm n GLY 47 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 3.33 -0.15 1.61 1.01 -1.26 -4.77 120.40 118.17 3fhm s VAL 48 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.80 3fhm s VAL 48 Cb 0.00 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3fhm s VAL 48 CO 0.00 0.17 1.12 -0.69 0.00 0.00 0.00 175.10 175.71 3fhm s VAL 49 N 0.00 4.51 -0.15 2.92 1.01 -1.26 -2.18 120.40 125.25 3fhm s VAL 49 Ca 0.55 1.82 0.15 0.00 0.00 0.00 0.00 61.98 64.50 3fhm s VAL 49 Cb -0.35 -4.17 -0.24 0.00 0.00 0.00 0.00 36.38 31.62 3fhm s VAL 49 CO 0.38 -0.09 0.24 0.18 0.00 0.00 0.00 175.10 175.81 3fhm n LEU 50 N 5.87 0.40 0.00 3.92 4.77 0.22 -5.00 117.00 127.19 3fhm n LEU 50 Ca 0.12 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 3fhm n LEU 50 Cb 0.46 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3fhm n LEU 50 CO 0.54 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 3fhm n GLY 51 N 1.71 -1.24 2.99 -0.72 0.00 -1.12 -4.55 105.19 102.27 3fhm n GLY 51 Ca -0.29 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.00 -0.02 -0.10 -0.61 2.07 -0.58 -0.24 121.20 118.72 3fhm s ILE 52 Ca 0.00 0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 3fhm s ILE 52 Cb 0.00 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.35 3fhm s ILE 52 CO 0.00 0.03 -0.19 0.12 -1.91 0.00 0.00 174.94 172.99 3fhm s PHE 53 N 0.62 2.18 0.32 3.50 5.36 -0.73 -1.48 117.98 127.75 3fhm s PHE 53 Ca -0.04 -0.94 0.05 0.00 -0.96 0.00 0.00 56.93 55.04 3fhm s PHE 53 Cb -0.06 -1.51 -0.06 0.00 -0.34 0.00 0.00 43.02 41.05 3fhm s PHE 53 CO -0.03 -0.42 0.00 0.95 -1.46 0.00 0.00 175.22 174.26 3fhm s THR 54 N 0.63 1.52 0.54 0.12 -4.23 -1.26 -1.66 115.64 111.29 3fhm s THR 54 Ca -0.14 -2.05 0.41 0.00 -1.18 0.00 0.00 61.69 58.74 3fhm s THR 54 Cb -0.16 -2.69 0.62 0.00 1.34 0.00 0.00 72.50 71.61 3fhm s THR 54 CO 0.04 -0.12 1.71 1.05 -0.54 0.00 0.00 174.62 176.75 3fhm h GLU 55 N 2.12 0.01 -0.06 3.99 4.11 -1.73 0.13 114.58 123.15 3fhm h GLU 55 Ca -0.41 -0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.84 3fhm h GLU 55 Cb 1.24 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3fhm h GLU 55 CO 0.71 0.01 -0.73 -0.09 0.07 0.00 0.00 179.01 178.98 3fhm h ARG 56 N 0.02 0.33 -0.25 1.06 9.65 -1.95 -2.12 114.38 121.12 3fhm h ARG 56 Ca 0.72 -0.28 -0.06 0.00 -1.10 0.00 0.00 59.98 59.27 3fhm h ARG 56 Cb 2.85 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 31.48 3fhm h ARG 56 CO -0.04 0.92 -0.10 -0.44 2.80 0.00 0.00 179.97 183.12 3fhm h ASP 57 N 0.23 0.38 0.56 -3.80 3.32 -1.11 -2.71 116.42 113.29 3fhm h ASP 57 Ca -0.03 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 3fhm h ASP 57 Cb 1.29 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 3fhm h ASP 57 CO 0.12 0.52 -0.48 0.25 -1.72 0.00 0.00 179.24 177.93 3fhm h LEU 58 N 0.38 -1.29 -0.80 1.55 5.85 -0.92 -1.87 115.31 118.21 3fhm h LEU 58 Ca 0.08 0.10 0.15 0.00 0.84 0.00 0.00 57.88 59.05 3fhm h LEU 58 Cb 0.41 0.41 -0.15 0.00 0.37 0.00 0.00 40.66 41.70 3fhm h LEU 58 CO 0.02 -0.66 -0.24 0.58 -0.34 0.00 0.00 178.44 177.80 3fhm h VAL 59 N -1.02 0.16 -0.70 1.05 2.07 -1.35 -1.62 116.25 114.85 3fhm h VAL 59 Ca -0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.46 3fhm h VAL 59 Cb 0.86 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3fhm h VAL 59 CO -0.01 0.00 0.46 0.50 0.02 0.00 0.00 177.57 178.54 3fhm h LYS 60 N -0.02 0.89 0.27 1.57 3.64 -1.34 -1.32 116.57 120.26 3fhm h LYS 60 Ca 0.37 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3fhm h LYS 60 Cb 0.59 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3fhm h LYS 60 CO -0.83 0.59 -0.13 0.00 -2.27 0.00 0.00 179.45 176.81 3fhm h ALA 61 N 1.57 -0.36 0.00 5.00 0.00 -0.46 -2.33 119.26 122.68 3fhm h ALA 61 Ca 0.26 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3fhm h ALA 61 Cb -0.06 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3fhm h ALA 61 CO -0.06 -0.53 -0.48 -0.39 0.00 0.00 0.00 179.25 177.78 3fhm h VAL 62 N -0.69 1.29 -0.10 0.00 -1.51 -1.32 -0.67 116.25 113.24 3fhm h VAL 62 Ca -0.04 -1.67 0.02 0.00 -1.23 0.00 0.00 66.70 63.79 3fhm h VAL 62 Cb 0.48 1.91 -0.02 0.00 -2.13 0.00 0.00 31.29 31.53 3fhm h VAL 62 CO 0.06 0.47 -0.04 0.00 -1.23 0.00 0.00 177.57 176.83 3fhm h ALA 63 N 1.52 0.04 0.03 5.19 0.00 -1.18 -1.54 119.26 123.32 3fhm h ALA 63 Ca -0.00 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 3fhm h ALA 63 Cb 0.87 0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.79 3fhm h ALA 63 CO 0.06 -0.51 -0.72 0.78 0.00 0.00 0.00 179.25 178.87 3fhm h GLY 64 N -0.03 0.49 -0.40 0.00 0.00 -1.28 -3.41 103.07 98.45 3fhm h GLY 64 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.47 3fhm h GLY 64 CO -0.12 0.81 -0.20 -1.06 0.00 0.00 0.00 176.54 175.97 3fhm n GLN 65 N -4.14 0.79 0.00 4.80 3.00 -0.27 -5.11 117.38 116.46 3fhm n GLN 65 Ca -0.11 -1.51 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 3fhm n GLN 65 Cb 0.74 -0.89 0.00 0.00 0.00 0.00 0.00 30.24 30.08 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 -0.54 1.38 0.42 1.08 0.00 -0.58 -2.81 105.19 104.15 3fhm n GLY 66 Ca 0.05 -0.47 0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.41 2.42 0.00 4.61 0.00 -1.95 -2.10 119.26 121.82 3fhm h ALA 67 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3fhm h ALA 67 Cb 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3fhm h ALA 67 CO 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 179.25 178.22 3fhm h ALA 68 N 1.65 1.08 0.00 0.00 0.00 -1.95 -3.01 119.26 117.04 3fhm h ALA 68 Ca 0.72 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.56 3fhm h ALA 68 Cb 2.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 3fhm h ALA 68 CO -0.40 0.08 -0.02 0.66 0.00 0.00 0.00 179.25 179.57 3fhm h SER 69 N 0.00 0.00 0.32 0.00 4.64 -1.42 -2.89 113.55 114.20 3fhm h SER 69 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 3fhm h SER 69 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3fhm h SER 69 CO 0.01 0.02 -0.12 -0.07 -0.87 0.00 0.00 176.83 175.81 3fhm h LEU 70 N 0.00 0.00 0.00 5.97 3.38 -1.71 -2.62 115.31 120.33 3fhm h LEU 70 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3fhm h LEU 70 Cb 0.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3fhm h LEU 70 CO 0.00 0.12 -0.92 1.56 0.09 0.00 0.00 178.44 179.29 3fhm h GLN 71 N 0.00 0.00 -7.11 1.13 1.08 -1.71 -1.98 115.11 106.52 3fhm h GLN 71 Ca -0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 3fhm h GLN 71 Cb 0.31 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 27.83 3fhm h GLN 71 CO 0.02 0.76 0.44 -0.65 -0.95 0.00 0.00 178.83 178.44 3fhm s GLN 72 N -2.79 3.10 0.29 1.46 -0.21 -0.99 -4.78 119.66 115.75 3fhm s GLN 72 Ca 0.01 1.67 -0.29 0.00 0.02 0.00 0.00 55.36 56.77 3fhm s GLN 72 Cb 0.09 -1.96 -0.10 0.00 1.00 0.00 0.00 33.01 32.04 3fhm s GLN 72 CO 0.80 -1.06 1.17 0.45 -2.12 0.00 0.00 175.29 174.52 3fhm s SER 73 N -1.82 7.11 0.61 5.90 0.15 -1.26 -1.13 113.70 123.26 3fhm s SER 73 Ca 0.74 2.40 0.26 0.00 0.70 0.00 0.00 55.95 60.05 3fhm s SER 73 Cb -0.26 -2.63 1.18 0.00 -1.71 0.00 0.00 66.02 62.59 3fhm s SER 73 CO 0.32 -0.27 1.61 1.62 1.20 0.00 0.00 173.24 177.72 3fhm h VAL 74 N 3.09 0.15 0.00 4.45 3.04 -1.29 -2.01 116.25 123.68 3fhm h VAL 74 Ca -0.47 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.18 3fhm h VAL 74 Cb 1.22 0.35 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3fhm h VAL 74 CO 0.67 0.00 -0.16 0.28 -1.01 0.00 0.00 177.57 177.35 3fhm h SER 75 N 0.00 0.00 0.85 3.17 0.02 -1.84 -2.64 113.55 113.11 3fhm h SER 75 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3fhm h SER 75 Cb 1.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.36 3fhm h SER 75 CO -0.00 0.16 -0.35 1.33 -1.14 0.00 0.00 176.83 176.82 3fhm n VAL 76 N -3.79 0.18 0.12 2.27 0.24 -0.76 -3.94 118.33 112.65 3fhm n VAL 76 Ca -0.02 -0.11 0.04 0.00 -2.04 0.00 0.00 64.34 62.21 3fhm n VAL 76 Cb 0.26 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.43 3fhm n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fhm n ALA 77 N -1.63 2.56 -1.60 2.33 0.00 -1.10 -5.04 120.51 116.03 3fhm n ALA 77 Ca 0.05 -0.21 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 3fhm n ALA 77 Cb 0.38 -0.30 0.03 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.34 3.09 -0.31 0.00 0.23 -1.01 -4.91 119.30 114.05 3fhm s MET 78 Ca -0.01 1.11 -0.19 0.00 -1.03 0.00 0.00 55.69 55.57 3fhm s MET 78 Cb 0.06 -2.01 -0.01 0.00 -1.53 0.00 0.00 34.83 31.34 3fhm s MET 78 CO 0.35 -0.99 0.59 0.99 -2.03 0.00 0.00 175.02 173.93 3fhm s THR 79 N -2.70 4.97 0.03 3.16 2.01 -0.55 -4.88 115.64 117.69 3fhm s THR 79 Ca 0.61 0.74 -0.16 0.00 0.31 0.00 0.00 61.69 63.19 3fhm s THR 79 Cb -0.15 -3.97 -0.29 0.00 0.01 0.00 0.00 72.50 68.10 3fhm s THR 79 CO 0.45 -0.13 1.08 0.11 -0.69 0.00 0.00 174.62 175.43 3fhm h LYS 80 N 8.24 0.56 -6.08 4.92 1.57 -1.88 -1.55 116.57 122.36 3fhm h LYS 80 Ca -0.27 -0.75 -0.59 0.00 -1.87 0.00 0.00 60.65 57.17 3fhm h LYS 80 Cb 1.12 0.25 -0.10 0.00 0.08 0.00 0.00 32.23 33.58 3fhm h LYS 80 CO 0.78 1.33 1.31 -0.80 -0.57 0.00 0.00 179.45 181.50 3fhm s ASN 81 N -7.28 6.41 -0.34 0.86 0.01 -1.26 -4.52 114.94 108.82 3fhm s ASN 81 Ca -0.10 -1.21 -0.20 0.00 -0.71 0.00 0.00 52.86 50.63 3fhm s ASN 81 Cb 0.05 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 39.15 3fhm s ASN 81 CO 0.91 -1.56 0.63 -0.69 -1.51 0.00 0.00 177.10 174.87 3fhm s VAL 82 N 4.99 4.91 0.14 1.60 1.01 -1.26 -5.07 120.40 126.72 3fhm s VAL 82 Ca 0.41 0.66 -0.28 0.00 0.00 0.00 0.00 61.98 62.77 3fhm s VAL 82 Cb -0.03 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 3fhm s VAL 82 CO -0.03 -0.25 0.89 -0.69 0.00 0.00 0.00 175.10 175.02 3fhm s VAL 83 N 2.66 4.42 0.29 2.92 1.01 -1.26 -5.08 120.40 125.36 3fhm s VAL 83 Ca 0.24 1.94 0.07 0.00 0.00 0.00 0.00 61.98 64.24 3fhm s VAL 83 Cb -0.15 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 3fhm s VAL 83 CO 0.14 0.40 -0.06 -0.13 0.00 0.00 0.00 175.10 175.45 3fhm s ARG 84 N -0.47 1.60 0.47 2.72 0.52 -1.26 -4.16 118.95 118.36 3fhm s ARG 84 Ca 0.42 -1.81 0.02 0.00 -0.52 0.00 0.00 55.73 53.84 3fhm s ARG 84 Cb -0.23 -1.24 -0.01 0.00 0.52 0.00 0.00 34.95 33.98 3fhm s ARG 84 CO 0.29 0.05 0.08 0.00 0.02 0.00 0.00 175.30 175.73 3fhm s GLN 86 N -3.77 2.17 0.62 0.00 1.11 -1.26 -0.79 119.66 117.73 3fhm s GLN 86 Ca 0.14 -2.01 0.38 0.00 0.01 0.00 0.00 55.36 53.88 3fhm s GLN 86 Cb 0.01 -1.85 2.03 0.00 -1.01 0.00 0.00 33.01 32.20 3fhm s GLN 86 CO 0.09 -0.21 2.25 0.45 0.01 0.00 0.00 175.29 177.88 3fhm h HIS 87 N 1.40 0.00 -0.22 0.91 3.86 -1.97 -2.17 115.15 116.96 3fhm h HIS 87 Ca -0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 3fhm h HIS 87 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 3fhm h HIS 87 CO 0.84 0.02 0.00 0.27 0.86 0.00 0.00 177.93 179.92 3fhm n ASN 88 N -3.28 2.53 -4.75 2.45 6.94 -1.26 -0.88 115.26 117.00 3fhm n ASN 88 Ca -0.02 -1.83 -0.36 0.00 -0.02 0.00 0.00 54.58 52.35 3fhm n ASN 88 Cb 0.13 -0.14 0.04 0.00 -2.36 0.00 0.00 39.78 37.45 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 -0.95 5.15 0.02 0.53 0.01 -0.82 -4.83 113.70 112.82 3fhm s SER 89 Ca 0.18 2.40 0.01 0.00 1.31 0.00 0.00 55.95 59.85 3fhm s SER 89 Cb 0.10 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 3fhm s SER 89 CO 0.13 -1.62 0.07 0.42 0.41 0.00 0.00 173.24 172.65 3fhm s THR 90 N -1.59 4.57 0.54 1.44 -4.23 -1.26 -1.14 115.64 113.97 3fhm s THR 90 Ca 0.78 -0.56 0.41 0.00 -1.18 0.00 0.00 61.69 61.14 3fhm s THR 90 Cb -0.31 -3.12 0.62 0.00 1.34 0.00 0.00 72.50 71.04 3fhm s THR 90 CO 0.33 0.28 1.70 0.71 -0.54 0.00 0.00 174.62 177.10 3fhm h THR 91 N 3.04 0.23 -0.07 3.99 1.35 -1.51 0.10 112.91 120.04 3fhm h THR 91 Ca -0.48 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 3fhm h THR 91 Cb 1.17 0.22 -0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3fhm h THR 91 CO 0.63 0.00 0.02 0.44 -0.25 0.00 0.00 175.52 176.36 3fhm h ASP 92 N 0.02 0.11 -0.33 5.36 3.32 -1.95 -2.84 116.42 120.11 3fhm h ASP 92 Ca 0.73 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.56 3fhm h ASP 92 Cb 2.87 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 42.38 3fhm h ASP 92 CO -0.04 0.28 0.13 1.56 -1.72 0.00 0.00 179.24 179.45 3fhm h GLN 93 N -0.08 0.49 -0.42 3.56 4.20 -1.46 -2.92 115.11 118.48 3fhm h GLN 93 Ca 0.02 -0.09 0.09 0.00 0.06 0.00 0.00 58.65 58.73 3fhm h GLN 93 Cb 0.22 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 27.83 3fhm h GLN 93 CO -0.00 0.50 -0.17 1.25 -0.67 0.00 0.00 178.83 179.73 3fhm h LEU 94 N 0.38 -0.60 -1.46 1.46 5.85 -1.19 0.11 115.31 119.86 3fhm h LEU 94 Ca 0.11 0.15 0.11 0.00 0.84 0.00 0.00 57.88 59.09 3fhm h LEU 94 Cb 0.19 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 3fhm h LEU 94 CO -0.01 -0.21 0.50 0.24 -0.34 0.00 0.00 178.44 178.62 3fhm h MET 95 N -0.09 0.56 0.00 1.25 2.86 -1.37 0.01 114.93 118.15 3fhm h MET 95 Ca 0.20 -0.03 -0.22 0.00 -2.06 0.00 0.00 59.70 57.59 3fhm h MET 95 Cb 0.40 -0.13 0.02 0.00 0.06 0.00 0.00 31.60 31.95 3fhm h MET 95 CO -0.48 0.37 -0.87 1.49 1.06 0.00 0.00 176.91 178.48 3fhm h GLU 96 N 0.58 0.59 -0.45 1.72 4.81 -0.71 -0.50 114.58 120.61 3fhm h GLU 96 Ca 0.36 -0.64 0.05 0.00 -0.13 0.00 0.00 59.36 59.00 3fhm h GLU 96 Cb 0.60 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.11 3fhm h GLU 96 CO -0.13 1.24 0.19 0.82 -0.73 0.00 0.00 179.01 180.41 3fhm h ILE 97 N 0.20 0.91 -0.27 2.32 2.04 -0.23 0.02 117.51 122.49 3fhm h ILE 97 Ca -0.11 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 3fhm h ILE 97 Cb 1.55 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3fhm h ILE 97 CO 0.17 0.07 0.00 0.24 0.00 0.00 0.00 178.15 178.63 3fhm h MET 98 N 0.39 0.48 0.57 2.37 2.86 -0.97 -0.98 114.93 119.64 3fhm h MET 98 Ca 0.21 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3fhm h MET 98 Cb 0.16 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.79 3fhm h MET 98 CO -0.18 0.64 -0.27 1.15 1.06 0.00 0.00 176.91 179.30 3fhm h THR 99 N 0.26 0.42 -0.13 2.22 2.02 -1.01 -1.52 112.91 115.18 3fhm h THR 99 Ca 0.08 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3fhm h THR 99 Cb 0.42 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3fhm h THR 99 CO 0.01 0.02 0.03 1.23 0.37 0.00 0.00 175.52 177.19 3fhm h GLY 100 N -0.84 0.22 2.00 2.16 0.00 -0.97 -2.89 103.07 102.75 3fhm h GLY 100 Ca -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3fhm h GLY 100 CO 0.13 0.13 -0.01 -1.33 0.00 0.00 0.00 176.54 175.45 3fhm h GLY 101 N 0.01 0.00 -5.00 4.60 0.00 -1.30 -3.48 103.07 97.90 3fhm h GLY 101 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.08 3fhm h GLY 101 CO 0.00 0.00 -0.61 0.54 0.00 0.00 0.00 176.54 176.47 3fhm n ARG 102 N -3.11 -5.81 -4.23 4.80 1.74 -0.58 -5.06 116.66 104.41 3fhm n ARG 102 Ca 0.01 0.70 -0.14 0.00 -0.77 0.00 0.00 57.85 57.64 3fhm n ARG 102 Cb 0.33 -5.28 -0.10 0.00 -1.02 0.00 0.00 32.46 26.39 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 -3.29 1.31 0.00 -1.55 -0.71 -1.13 -5.07 117.98 107.54 3fhm s PHE 103 Ca 0.15 -1.39 0.00 0.00 -1.04 0.00 0.00 56.93 54.65 3fhm s PHE 103 Cb -0.06 -0.64 0.00 0.00 -1.21 0.00 0.00 43.02 41.10 3fhm s PHE 103 CO 0.60 -0.62 0.60 0.54 -1.34 0.00 0.00 175.22 175.00 3fhm n ARG 104 N -0.36 0.59 -4.26 1.99 1.74 -1.26 -4.43 116.66 110.67 3fhm n ARG 104 Ca 0.02 -0.77 -0.21 0.00 -0.77 0.00 0.00 57.85 56.12 3fhm n ARG 104 Cb 0.65 -0.88 -0.16 0.00 -1.02 0.00 0.00 32.46 31.05 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 -0.34 0.96 -0.17 -1.55 3.76 -1.26 -1.13 115.29 115.56 3fhm s HIS 105 Ca 0.00 -0.31 -0.02 0.00 -0.15 0.00 0.00 55.06 54.58 3fhm s HIS 105 Cb 0.00 -0.79 0.05 0.00 1.11 0.00 0.00 32.58 32.95 3fhm s HIS 105 CO 0.00 -0.23 -0.00 0.14 -0.85 0.00 0.00 174.74 173.80 3fhm s VAL 106 N 0.89 0.74 0.31 -0.90 -7.23 0.47 -4.98 120.40 109.69 3fhm s VAL 106 Ca -0.11 -0.51 -0.29 0.00 -1.81 0.00 0.00 61.98 59.26 3fhm s VAL 106 Cb -0.15 -1.07 -0.10 0.00 0.56 0.00 0.00 36.38 35.62 3fhm s VAL 106 CO 0.01 -0.02 1.41 -2.84 -0.31 0.00 0.00 175.10 173.35 3fhm s PRO 107 N 1.78 4.26 -0.17 4.82 0.02 -1.26 -1.24 135.00 143.21 3fhm s PRO 107 Ca 0.00 2.34 -0.15 0.00 0.02 0.00 0.00 61.00 63.21 3fhm s PRO 107 Cb -0.16 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3fhm s PRO 107 CO -0.07 -0.37 0.35 0.08 -0.33 0.00 0.00 177.00 176.66 3fhm s VAL 108 N -0.63 5.25 0.07 3.83 1.01 0.43 -1.89 120.40 128.47 3fhm s VAL 108 Ca 0.54 0.64 0.07 0.00 0.00 0.00 0.00 61.98 63.24 3fhm s VAL 108 Cb -0.42 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3fhm s VAL 108 CO 0.51 0.33 -0.14 -0.70 0.00 0.00 0.00 175.10 175.10 3fhm s GLU 109 N 0.82 2.12 -0.30 2.72 2.12 0.03 -0.57 118.70 125.64 3fhm s GLU 109 Ca 0.18 -0.98 -0.13 0.00 0.36 0.00 0.00 54.97 54.40 3fhm s GLU 109 Cb -0.14 -2.26 0.13 0.00 0.26 0.00 0.00 34.13 32.12 3fhm s GLU 109 CO 0.06 0.53 0.75 -1.83 -0.54 0.00 0.00 175.26 174.23 3fhm s GLU 110 N -1.77 0.53 -1.07 4.30 -1.05 -0.92 -4.30 118.70 114.42 3fhm s GLU 110 Ca 0.17 1.21 -0.04 0.00 -0.15 0.00 0.00 54.97 56.17 3fhm s GLU 110 Cb -0.11 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 3fhm s GLU 110 CO 0.09 -0.16 0.48 0.09 0.95 0.00 0.00 175.26 176.70 3fhm n ASN 111 N 5.00 -4.80 0.00 0.83 3.02 -1.26 -2.36 115.26 115.70 3fhm n ASN 111 Ca -0.13 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 3fhm n ASN 111 Cb 0.52 -3.62 0.00 0.00 -0.61 0.00 0.00 39.78 36.07 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 -1.33 0.27 3.87 7.41 0.00 -1.26 -4.98 105.19 109.18 3fhm n GLY 112 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3fhm n GLY 112 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fhm s ARG 113 N -1.00 3.32 -0.14 1.61 3.52 -0.99 -5.09 118.95 120.18 3fhm s ARG 113 Ca 0.00 -0.42 -0.29 0.00 -0.13 0.00 0.00 55.73 54.89 3fhm s ARG 113 Cb 0.00 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.38 3fhm s ARG 113 CO 0.00 0.64 1.01 -1.17 -0.81 0.00 0.00 175.30 174.97 3fhm s LEU 114 N -2.10 4.21 0.00 -0.88 2.96 -1.26 -2.16 118.68 119.45 3fhm s LEU 114 Ca 0.29 1.49 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 3fhm s LEU 114 Cb -0.13 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.02 3fhm s LEU 114 CO 0.21 -0.50 0.34 0.00 -1.32 0.00 0.00 176.35 175.07 3fhm n ALA 115 N 5.35 1.08 0.00 5.97 0.00 0.26 -4.99 120.51 128.18 3fhm n ALA 115 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3fhm n ALA 115 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.06 -1.87 3.05 0.00 0.00 -1.22 -4.81 105.19 100.29 3fhm n GLY 116 Ca 0.00 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.63 -0.02 -0.12 -0.61 2.07 -1.26 -0.43 121.20 118.19 3fhm s ILE 117 Ca 0.00 0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.32 3fhm s ILE 117 Cb 0.00 -0.33 -0.02 0.00 0.13 0.00 0.00 42.46 42.24 3fhm s ILE 117 CO 0.00 0.04 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.35 3fhm s ILE 118 N 0.77 3.50 0.19 2.00 -1.09 -0.37 -4.95 121.20 121.24 3fhm s ILE 118 Ca -0.05 -0.51 0.10 0.00 -2.23 0.00 0.00 60.65 57.95 3fhm s ILE 118 Cb -0.07 -2.48 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 3fhm s ILE 118 CO -0.05 0.53 -0.14 -0.94 -1.23 0.00 0.00 174.94 173.12 3fhm s SER 119 N 0.08 4.01 0.52 3.58 1.04 -1.26 -0.40 113.70 121.27 3fhm s SER 119 Ca -0.03 -0.67 0.37 0.00 0.48 0.00 0.00 55.95 56.10 3fhm s SER 119 Cb -0.14 -0.58 1.53 0.00 0.10 0.00 0.00 66.02 66.93 3fhm s SER 119 CO 0.04 0.10 1.72 -0.29 0.98 0.00 0.00 173.24 175.79 3fhm h ILE 120 N 2.84 0.28 0.00 -1.02 2.10 -1.53 0.92 117.51 121.10 3fhm h ILE 120 Ca -0.46 -0.02 -0.19 0.00 1.08 0.00 0.00 64.86 65.26 3fhm h ILE 120 Cb 1.21 0.22 -0.03 0.00 -1.09 0.00 0.00 36.82 37.13 3fhm h ILE 120 CO 0.53 0.01 -0.92 1.23 -1.08 0.00 0.00 178.15 177.92 3fhm h GLY 121 N 0.06 0.00 0.95 8.18 0.00 -1.96 -1.74 103.07 108.56 3fhm h GLY 121 Ca 0.70 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.99 3fhm h GLY 121 CO -0.09 0.00 -0.35 -0.55 0.00 0.00 0.00 176.54 175.55 3fhm h ASP 122 N 0.00 -0.82 -0.64 0.19 3.32 -1.24 -1.78 116.42 115.45 3fhm h ASP 122 Ca -0.01 0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.17 3fhm h ASP 122 Cb 1.63 0.21 -0.12 0.00 0.22 0.00 0.00 39.33 41.27 3fhm h ASP 122 CO 0.12 -0.55 -0.32 0.58 -1.72 0.00 0.00 179.24 177.35 3fhm h VAL 123 N -1.04 0.17 0.19 -1.35 2.07 -1.45 -0.17 116.25 114.66 3fhm h VAL 123 Ca -0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3fhm h VAL 123 Cb 0.76 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3fhm h VAL 123 CO 0.16 0.00 -0.09 0.58 0.02 0.00 0.00 177.57 178.24 3fhm h VAL 124 N -0.13 0.88 -0.90 2.57 2.07 -1.30 -2.57 116.25 116.89 3fhm h VAL 124 Ca 0.26 -0.35 0.18 0.00 0.82 0.00 0.00 66.70 67.61 3fhm h VAL 124 Cb 0.55 1.09 -0.11 0.00 -1.52 0.00 0.00 31.29 31.31 3fhm h VAL 124 CO -0.72 0.08 0.47 0.50 0.02 0.00 0.00 177.57 177.92 3fhm h LYS 125 N -0.42 0.58 -0.81 1.57 3.64 -1.07 -1.28 116.57 118.78 3fhm h LYS 125 Ca -0.03 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3fhm h LYS 125 Cb 0.33 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 3fhm h LYS 125 CO 0.04 0.38 0.53 0.00 -2.27 0.00 0.00 179.45 178.13 3fhm h ALA 126 N 1.62 1.52 -0.00 5.00 0.00 -0.74 -0.56 119.26 126.09 3fhm h ALA 126 Ca 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3fhm h ALA 126 Cb 0.82 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3fhm h ALA 126 CO -0.41 0.39 0.00 0.54 0.00 0.00 0.00 179.25 179.77 3fhm n ARG 127 N -4.45 1.04 -0.00 0.00 5.12 -0.50 -4.17 116.66 113.70 3fhm n ARG 127 Ca 0.11 -0.06 -0.02 0.00 -1.93 0.00 0.00 57.85 55.95 3fhm n ARG 127 Cb 0.12 -1.43 -0.01 0.00 -1.16 0.00 0.00 32.46 29.99 3fhm n ARG 127 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 3fhm n ILE 128 N -0.86 0.63 0.00 0.55 -6.64 -0.33 -4.95 119.36 107.75 3fhm n ILE 128 Ca 0.21 0.24 0.00 0.00 -1.77 0.00 0.00 62.75 61.43 3fhm n ILE 128 Cb 0.11 -1.51 0.00 0.00 -1.44 0.00 0.00 39.64 36.80 3fhm n ILE 128 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3fhm n GLY 129 N 2.73 0.00 0.00 3.28 0.00 -0.56 -5.12 105.19 105.52 3fhm n GLY 129 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3fhm n GLY 129 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48