#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fhm n THR 3 N 0.00 0.00 -3.62 0.00 -2.24 -1.26 -4.88 114.28 102.28 3fhm n THR 3 Ca 0.00 -0.47 -0.20 0.00 -2.27 0.00 0.00 64.05 61.11 3fhm n THR 3 Cb 0.00 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.06 3.27 0.15 4.78 0.08 -1.26 -1.65 117.98 123.29 3fhm s PHE 4 Ca 0.00 -0.09 -0.15 0.00 0.12 0.00 0.00 56.93 56.81 3fhm s PHE 4 Cb 0.00 -1.85 0.03 0.00 -0.57 0.00 0.00 43.02 40.63 3fhm s PHE 4 CO 0.00 0.14 1.76 0.28 -0.10 0.00 0.00 175.22 177.30 3fhm h VAL 5 N 0.96 1.17 -0.93 -0.44 2.07 -1.15 -2.51 116.25 115.43 3fhm h VAL 5 Ca -0.48 -0.45 0.17 0.00 0.82 0.00 0.00 66.70 66.75 3fhm h VAL 5 Cb 1.24 0.60 -0.10 0.00 -1.52 0.00 0.00 31.29 31.52 3fhm h VAL 5 CO 0.56 0.18 0.52 0.50 0.02 0.00 0.00 177.57 179.36 3fhm h LYS 6 N 0.63 0.67 -0.78 1.57 3.64 -1.11 -1.11 116.57 120.09 3fhm h LYS 6 Ca 0.17 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3fhm h LYS 6 Cb 0.07 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3fhm h LYS 6 CO -0.03 0.45 0.47 -0.44 -2.27 0.00 0.00 179.45 177.63 3fhm h ASP 7 N 0.69 0.93 -0.45 4.20 3.45 -1.74 -2.39 116.42 121.12 3fhm h ASP 7 Ca 0.52 -0.06 -0.12 0.00 0.43 0.00 0.00 57.03 57.80 3fhm h ASP 7 Cb 0.77 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.29 3fhm h ASP 7 CO -0.38 0.72 -0.16 -0.07 -1.57 0.00 0.00 179.24 177.78 3fhm h LEU 8 N 1.07 0.96 -0.87 1.55 3.38 -1.02 -2.92 115.31 117.45 3fhm h LEU 8 Ca 0.28 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 3fhm h LEU 8 Cb -0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3fhm h LEU 8 CO -0.05 1.10 -0.44 -0.07 0.09 0.00 0.00 178.44 179.07 3fhm h LEU 9 N 0.83 0.29 -1.84 1.67 3.38 -1.26 -1.96 115.31 116.42 3fhm h LEU 9 Ca 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3fhm h LEU 9 Cb 0.72 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 3fhm h LEU 9 CO 0.05 0.70 -0.06 0.44 0.09 0.00 0.00 178.44 179.66 3fhm h ASP 10 N 0.22 0.02 0.10 -0.43 3.45 -1.25 0.21 116.42 118.74 3fhm h ASP 10 Ca 0.02 -0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.28 3fhm h ASP 10 Cb 0.87 -0.01 0.01 0.00 -0.56 0.00 0.00 39.33 39.65 3fhm h ASP 10 CO 0.07 0.09 -0.91 0.03 -1.57 0.00 0.00 179.24 176.94 3fhm h ARG 11 N 0.02 0.21 0.04 3.56 3.08 -1.34 -3.42 114.38 116.54 3fhm h ARG 11 Ca 0.01 -0.36 -0.37 0.00 0.07 0.00 0.00 59.98 59.32 3fhm h ARG 11 Cb 0.13 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 3fhm h ARG 11 CO 0.01 1.17 -2.25 1.17 -1.07 0.00 0.00 179.97 179.00 3fhm n LYS 12 N -4.16 0.69 0.00 0.04 4.81 -0.77 -5.11 118.16 113.67 3fhm n LYS 12 Ca -0.18 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3fhm n LYS 12 Cb 0.78 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 34.23 3fhm n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fhm n GLY 13 N 2.07 3.89 0.08 3.14 0.00 0.06 -4.96 105.19 109.47 3fhm n GLY 13 Ca -0.38 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.48 0.22 -2.25 1.61 3.00 -1.26 -4.78 116.66 111.73 3fhm n ARG 14 Ca 0.00 -0.17 -0.34 0.00 -0.00 0.00 0.00 57.85 57.34 3fhm n ARG 14 Cb 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 32.46 30.96 3fhm n ARG 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3fhm s ASP 15 N -2.90 5.84 -0.06 6.15 -0.00 -1.26 -3.92 116.67 120.52 3fhm s ASP 15 Ca 0.11 2.03 0.02 0.00 -0.00 0.00 0.00 52.55 54.71 3fhm s ASP 15 Cb 0.17 -2.56 0.01 0.00 -0.00 0.00 0.00 42.92 40.54 3fhm s ASP 15 CO 0.76 -1.13 -0.11 -0.69 -0.00 0.00 0.00 175.17 174.00 3fhm s VAL 16 N -2.00 1.02 -0.21 -1.27 1.01 -1.26 -4.53 120.40 113.15 3fhm s VAL 16 Ca 0.69 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 3fhm s VAL 16 Cb -0.20 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.24 3fhm s VAL 16 CO 0.28 0.33 1.11 -0.69 0.00 0.00 0.00 175.10 176.13 3fhm s VAL 17 N 0.64 4.55 0.17 2.92 1.01 -1.26 -5.05 120.40 123.37 3fhm s VAL 17 Ca -0.13 1.88 0.09 0.00 0.00 0.00 0.00 61.98 63.82 3fhm s VAL 17 Cb -0.15 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3fhm s VAL 17 CO 0.03 -0.17 -0.20 0.42 0.00 0.00 0.00 175.10 175.18 3fhm s THR 18 N 3.30 1.94 0.18 3.92 -4.23 -1.26 -2.98 115.64 116.50 3fhm s THR 18 Ca 0.47 -1.93 0.09 0.00 -1.18 0.00 0.00 61.69 59.14 3fhm s THR 18 Cb -0.17 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 3fhm s THR 18 CO 0.09 -0.26 -0.19 0.68 -0.54 0.00 0.00 174.62 174.39 3fhm s VAL 19 N -1.94 1.97 1.02 2.29 -7.23 -0.76 -4.95 120.40 110.81 3fhm s VAL 19 Ca 0.17 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.21 3fhm s VAL 19 Cb -0.06 -1.94 0.20 0.00 0.56 0.00 0.00 36.38 35.13 3fhm s VAL 19 CO 0.07 -0.29 1.12 -0.83 -0.31 0.00 0.00 175.10 174.87 3fhm s GLY 20 N -2.75 1.58 0.37 2.32 0.00 -1.26 -1.89 107.32 105.69 3fhm s GLY 20 Ca 0.18 -0.61 0.23 0.00 0.00 0.00 0.00 44.72 44.52 3fhm s GLY 20 CO 0.08 0.06 1.48 -0.56 0.00 0.00 0.00 173.10 174.16 3fhm h PRO 21 N -1.94 0.00 0.00 2.90 0.13 -1.95 -3.32 132.00 127.82 3fhm h PRO 21 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3fhm h PRO 21 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3fhm h PRO 21 CO 0.53 0.00 -0.68 -0.25 -0.23 0.00 0.00 178.00 177.36 3fhm n ASP 22 N -2.95 0.62 -4.68 1.44 9.92 -1.26 -3.84 116.55 115.80 3fhm n ASP 22 Ca 0.03 -0.35 -0.43 0.00 -0.53 0.00 0.00 54.79 53.50 3fhm n ASP 22 Cb 0.53 0.46 -0.01 0.00 -0.64 0.00 0.00 41.12 41.46 3fhm n ASP 22 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3fhm n VAL 23 N -1.61 1.71 -2.25 2.53 0.31 -1.25 -4.78 118.33 112.98 3fhm n VAL 23 Ca 0.05 -0.43 -0.32 0.00 -0.01 0.00 0.00 64.34 63.63 3fhm n VAL 23 Cb 0.36 -1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 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 -0.17 6.36 0.25 4.52 1.04 -1.26 -1.84 113.70 122.59 3fhm s SER 24 Ca 0.59 1.62 -0.04 0.00 0.48 0.00 0.00 55.95 58.61 3fhm s SER 24 Cb -0.60 -2.51 0.43 0.00 0.10 0.00 0.00 66.02 63.43 3fhm s SER 24 CO 0.59 -0.77 1.79 0.40 0.98 0.00 0.00 173.24 176.22 3fhm h ILE 25 N 0.67 0.84 -0.80 -1.02 2.04 -1.22 0.14 117.51 118.15 3fhm h ILE 25 Ca -0.47 -0.24 0.12 0.00 1.00 0.00 0.00 64.86 65.27 3fhm h ILE 25 Cb 1.19 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 3fhm h ILE 25 CO 0.60 0.13 0.52 1.23 0.00 0.00 0.00 178.15 180.63 3fhm h GLY 26 N 0.70 1.01 1.29 5.37 0.00 -1.55 -1.00 103.07 108.88 3fhm h GLY 26 Ca 0.41 -0.27 -0.30 0.00 0.00 0.00 0.00 47.33 47.16 3fhm h GLY 26 CO -0.29 0.13 -1.49 0.83 0.00 0.00 0.00 176.54 175.72 3fhm h GLU 27 N 0.66 0.27 -0.43 4.80 5.08 -1.30 -2.72 114.58 120.94 3fhm h GLU 27 Ca 0.38 -0.47 0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3fhm h GLU 27 Cb 0.58 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.91 3fhm h GLU 27 CO -0.15 1.15 -0.31 0.00 -1.00 0.00 0.00 179.01 178.71 3fhm h ALA 28 N 0.48 -0.12 -0.88 3.43 0.00 -0.52 -0.74 119.26 120.91 3fhm h ALA 28 Ca -0.23 0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.92 3fhm h ALA 28 Cb 2.02 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 20.42 3fhm h ALA 28 CO 0.18 -0.69 0.57 0.00 0.00 0.00 0.00 179.25 179.30 3fhm h ALA 29 N 0.85 1.74 -0.33 0.00 0.00 -1.19 -0.64 119.26 119.70 3fhm h ALA 29 Ca 0.19 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3fhm h ALA 29 Cb 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3fhm h ALA 29 CO -0.55 0.05 -0.09 0.78 0.00 0.00 0.00 179.25 179.44 3fhm h GLY 30 N 0.78 0.59 0.74 0.00 0.00 -0.85 -2.79 103.07 101.54 3fhm h GLY 30 Ca 0.43 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 3fhm h GLY 30 CO -0.19 0.37 -0.26 -0.84 0.00 0.00 0.00 176.54 175.62 3fhm h THR 31 N 0.51 1.38 -1.02 4.70 2.02 0.02 -2.58 112.91 117.93 3fhm h THR 31 Ca 0.10 -1.54 0.25 0.00 0.77 0.00 0.00 66.41 65.98 3fhm h THR 31 Cb 0.46 2.08 -0.10 0.00 -1.74 0.00 0.00 68.15 68.85 3fhm h THR 31 CO 0.02 0.45 0.65 -0.07 0.37 0.00 0.00 175.52 176.94 3fhm h LEU 32 N -0.03 0.52 0.07 2.58 3.38 -1.27 -2.58 115.31 117.98 3fhm h LEU 32 Ca 0.00 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 3fhm h LEU 32 Cb 0.86 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.62 3fhm h LEU 32 CO 0.06 0.11 -0.55 -0.74 0.09 0.00 0.00 178.44 177.41 3fhm h HIS 33 N 0.47 0.28 -0.89 1.13 2.76 -1.27 -1.45 115.15 116.17 3fhm h HIS 33 Ca 0.60 -0.20 0.15 0.00 -2.20 0.00 0.00 60.37 58.72 3fhm h HIS 33 Cb 1.37 -0.01 -0.10 0.00 1.55 0.00 0.00 27.41 30.23 3fhm h HIS 33 CO -0.00 1.21 0.48 0.00 -1.30 0.00 0.00 177.93 178.32 3fhm h ALA 34 N 0.00 1.36 -0.01 5.26 0.00 -1.35 -0.93 119.26 123.59 3fhm h ALA 34 Ca -0.11 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fhm h ALA 34 Cb 1.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3fhm h ALA 34 CO 0.06 -0.06 -0.04 0.72 0.00 0.00 0.00 179.25 179.93 3fhm n HIS 35 N -4.83 0.00 -3.74 0.00 8.25 -0.98 -4.97 115.22 108.94 3fhm n HIS 35 Ca 0.18 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.41 3fhm n HIS 35 Cb 0.45 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.07 -5.03 -4.39 -0.41 4.76 -0.36 -5.01 118.16 107.65 3fhm n LYS 36 Ca 0.18 0.62 -0.20 0.00 -2.87 0.00 0.00 58.31 56.04 3fhm n LYS 36 Cb 0.33 -5.23 -0.10 0.00 -1.84 0.00 0.00 35.03 28.19 3fhm n LYS 36 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3fhm s ILE 37 N -3.61 1.10 -2.15 -0.18 -4.36 -0.58 -5.05 121.20 106.37 3fhm s ILE 37 Ca 0.12 -2.02 0.19 0.00 -0.26 0.00 0.00 60.65 58.68 3fhm s ILE 37 Cb -0.06 -2.61 0.09 0.00 1.25 0.00 0.00 42.46 41.13 3fhm s ILE 37 CO 0.81 -0.12 1.05 0.61 0.24 0.00 0.00 174.94 177.53 3fhm n GLY 38 N -0.57 0.33 3.39 6.27 0.00 -1.26 -4.62 105.19 108.73 3fhm n GLY 38 Ca -0.03 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.83 -0.86 -0.20 4.61 0.00 -1.26 -2.18 121.76 120.04 3fhm s ALA 39 Ca 0.20 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.87 3fhm s ALA 39 Cb 0.16 0.77 0.07 0.00 0.00 0.00 0.00 23.12 24.11 3fhm s ALA 39 CO 0.33 -0.70 0.49 0.54 0.00 0.00 0.00 175.76 176.41 3fhm s VAL 40 N -3.84 -0.05 -0.05 0.00 0.11 -0.65 -4.95 120.40 110.96 3fhm s VAL 40 Ca 0.06 0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 59.00 3fhm s VAL 40 Cb 0.01 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 34.09 3fhm s VAL 40 CO -0.08 0.03 0.53 -0.69 -3.33 0.00 0.00 175.10 171.56 3fhm s VAL 41 N 1.53 5.03 -0.39 2.04 1.01 -1.16 -1.89 120.40 126.58 3fhm s VAL 41 Ca -0.09 1.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.80 3fhm s VAL 41 Cb -0.08 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3fhm s VAL 41 CO -0.15 0.41 0.41 -0.69 0.00 0.00 0.00 175.10 175.08 3fhm s VAL 42 N -0.01 5.12 0.21 2.92 1.01 0.36 -1.82 120.40 128.18 3fhm s VAL 42 Ca 0.28 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.19 3fhm s VAL 42 Cb -0.17 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 3fhm s VAL 42 CO 0.14 -0.29 -0.19 0.42 0.00 0.00 0.00 175.10 175.18 3fhm s THR 43 N 2.10 2.08 0.80 3.92 -4.23 -0.79 0.80 115.64 120.31 3fhm s THR 43 Ca 0.12 -2.13 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 3fhm s THR 43 Cb -0.17 -2.06 0.15 0.00 1.34 0.00 0.00 72.50 71.77 3fhm s THR 43 CO 0.13 -0.35 1.09 1.51 -0.54 0.00 0.00 174.62 176.46 3fhm s ASP 44 N -3.02 3.94 0.64 3.99 1.47 -0.87 -4.06 116.67 118.76 3fhm s ASP 44 Ca 0.22 -0.24 0.34 0.00 1.18 0.00 0.00 52.55 54.05 3fhm s ASP 44 Cb -0.05 -0.01 1.86 0.00 -0.34 0.00 0.00 42.92 44.38 3fhm s ASP 44 CO 0.10 -2.15 2.11 0.00 0.68 0.00 0.00 175.17 175.91 3fhm h ALA 45 N -0.86 1.44 0.00 2.11 0.00 -2.00 -1.85 119.26 118.10 3fhm h ALA 45 Ca -0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3fhm h ALA 45 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fhm h ALA 45 CO 0.38 -0.24 -1.20 -0.25 0.00 0.00 0.00 179.25 177.95 3fhm n ASP 46 N -3.30 0.56 0.00 0.00 10.43 -1.26 -4.97 116.55 118.00 3fhm n ASP 46 Ca -0.01 -0.20 0.00 0.00 2.57 0.00 0.00 54.79 57.16 3fhm n ASP 46 Cb 0.29 1.00 0.00 0.00 1.84 0.00 0.00 41.12 44.24 3fhm n ASP 46 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fhm n GLY 47 N 1.34 0.71 3.79 0.44 0.00 -0.70 -5.09 105.19 105.68 3fhm n GLY 47 Ca 0.01 0.00 -0.37 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 4.29 -0.10 1.61 1.01 -1.26 -4.76 120.40 119.20 3fhm s VAL 48 Ca 0.00 1.70 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 3fhm s VAL 48 Cb 0.00 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3fhm s VAL 48 CO 0.00 0.18 1.39 -0.69 0.00 0.00 0.00 175.10 175.98 3fhm s VAL 49 N -1.57 3.98 -0.06 2.92 1.01 -1.26 -2.04 120.40 123.37 3fhm s VAL 49 Ca 0.48 1.23 0.15 0.00 0.00 0.00 0.00 61.98 63.84 3fhm s VAL 49 Cb -0.18 -3.79 -0.23 0.00 0.00 0.00 0.00 36.38 32.17 3fhm s VAL 49 CO 0.23 -0.08 0.25 0.18 0.00 0.00 0.00 175.10 175.68 3fhm n LEU 50 N 6.44 0.00 0.00 3.92 4.77 0.24 -4.99 117.00 127.37 3fhm n LEU 50 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3fhm n LEU 50 Cb 0.44 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3fhm n LEU 50 CO 0.58 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3fhm n GLY 51 N 1.76 -1.73 3.04 -0.72 0.00 -1.12 -4.49 105.19 101.94 3fhm n GLY 51 Ca -0.10 -1.11 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.46 0.96 -0.10 -0.61 2.07 -0.44 -0.49 121.20 120.13 3fhm s ILE 52 Ca 0.00 -0.47 0.01 0.00 -1.41 0.00 0.00 60.65 58.78 3fhm s ILE 52 Cb 0.00 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.77 3fhm s ILE 52 CO 0.00 0.29 -0.12 0.12 -1.91 0.00 0.00 174.94 173.32 3fhm s PHE 53 N 0.07 1.64 0.50 3.50 5.36 -0.79 -1.91 117.98 126.35 3fhm s PHE 53 Ca -0.02 -0.74 0.03 0.00 -0.96 0.00 0.00 56.93 55.25 3fhm s PHE 53 Cb -0.08 -1.24 -0.01 0.00 -0.34 0.00 0.00 43.02 41.35 3fhm s PHE 53 CO 0.01 -0.43 0.14 0.95 -1.46 0.00 0.00 175.22 174.43 3fhm s THR 54 N 1.12 1.47 0.60 0.12 -4.23 -1.26 -1.64 115.64 111.82 3fhm s THR 54 Ca -0.05 -1.82 0.29 0.00 -1.18 0.00 0.00 61.69 58.92 3fhm s THR 54 Cb -0.14 -2.29 0.36 0.00 1.34 0.00 0.00 72.50 71.76 3fhm s THR 54 CO -0.02 0.00 1.89 1.05 -0.54 0.00 0.00 174.62 176.99 3fhm h GLU 55 N 1.21 0.00 0.03 3.99 4.11 -1.82 -2.47 114.58 119.64 3fhm h GLU 55 Ca -0.42 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.82 3fhm h GLU 55 Cb 1.30 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.57 3fhm h GLU 55 CO 0.69 0.00 -0.77 -0.09 0.07 0.00 0.00 179.01 178.91 3fhm h ARG 56 N 0.00 0.47 -0.32 1.06 9.65 -1.95 -2.88 114.38 120.41 3fhm h ARG 56 Ca 0.17 -0.55 0.03 0.00 -1.10 0.00 0.00 59.98 58.53 3fhm h ARG 56 Cb 1.10 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.83 3fhm h ARG 56 CO -0.00 1.19 0.21 -0.44 2.80 0.00 0.00 179.97 183.73 3fhm h ASP 57 N -0.01 0.27 0.49 -3.80 3.32 -1.84 -2.66 116.42 112.19 3fhm h ASP 57 Ca -0.11 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3fhm h ASP 57 Cb 1.49 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 3fhm h ASP 57 CO 0.15 0.19 -0.36 0.25 -1.72 0.00 0.00 179.24 177.75 3fhm h LEU 58 N 0.31 -0.92 -0.90 1.55 5.85 -1.30 -2.23 115.31 117.67 3fhm h LEU 58 Ca 0.13 0.06 0.14 0.00 0.84 0.00 0.00 57.88 59.06 3fhm h LEU 58 Cb 0.13 0.29 -0.15 0.00 0.37 0.00 0.00 40.66 41.30 3fhm h LEU 58 CO -0.03 -0.53 -0.38 0.58 -0.34 0.00 0.00 178.44 177.74 3fhm h VAL 59 N -0.82 0.04 -0.26 1.05 2.07 -1.42 -1.71 116.25 115.20 3fhm h VAL 59 Ca -0.05 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 3fhm h VAL 59 Cb 0.70 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3fhm h VAL 59 CO 0.02 0.00 -0.10 0.50 0.02 0.00 0.00 177.57 178.00 3fhm h LYS 60 N -0.04 0.43 0.15 1.57 3.64 -1.22 -1.36 116.57 119.74 3fhm h LYS 60 Ca 0.32 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3fhm h LYS 60 Cb 0.59 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3fhm h LYS 60 CO -0.92 0.54 -0.07 0.00 -2.27 0.00 0.00 179.45 176.73 3fhm h ALA 61 N 1.49 -0.20 -0.10 5.00 0.00 -1.07 -2.03 119.26 122.36 3fhm h ALA 61 Ca 0.08 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3fhm h ALA 61 Cb 0.43 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3fhm h ALA 61 CO 0.02 -0.45 -0.55 -0.39 0.00 0.00 0.00 179.25 177.88 3fhm h VAL 62 N -0.52 1.36 -0.53 0.00 -1.51 -1.22 -0.45 116.25 113.39 3fhm h VAL 62 Ca -0.02 -1.85 0.02 0.00 -1.23 0.00 0.00 66.70 63.62 3fhm h VAL 62 Cb 0.40 1.89 -0.03 0.00 -2.13 0.00 0.00 31.29 31.42 3fhm h VAL 62 CO 0.03 0.55 0.32 0.00 -1.23 0.00 0.00 177.57 177.25 3fhm h ALA 63 N 1.20 0.67 -0.02 5.19 0.00 -1.26 -1.06 119.26 123.98 3fhm h ALA 63 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3fhm h ALA 63 Cb 1.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3fhm h ALA 63 CO 0.09 0.04 -0.21 0.78 0.00 0.00 0.00 179.25 179.95 3fhm h GLY 64 N 0.64 0.20 -1.89 0.00 0.00 -1.15 -3.40 103.07 97.47 3fhm h GLY 64 Ca 0.21 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 3fhm h GLY 64 CO -0.08 0.28 -0.72 -1.06 0.00 0.00 0.00 176.54 174.95 3fhm n GLN 65 N -4.54 0.49 0.00 4.80 3.00 -0.20 -5.11 117.38 115.83 3fhm n GLN 65 Ca -0.09 -2.18 0.00 0.00 -0.01 0.00 0.00 57.00 54.72 3fhm n GLN 65 Cb 0.46 -0.61 0.00 0.00 0.00 0.00 0.00 30.24 30.09 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 -0.15 1.23 0.43 1.08 0.00 -0.40 -2.93 105.19 104.44 3fhm n GLY 66 Ca 0.09 -0.49 0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.30 2.54 0.00 4.61 0.00 -1.94 -1.31 119.26 122.86 3fhm h ALA 67 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fhm h ALA 67 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3fhm h ALA 67 CO 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 179.25 178.46 3fhm h ALA 68 N 1.60 1.00 0.00 0.00 0.00 -1.95 -2.96 119.26 116.95 3fhm h ALA 68 Ca 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 3fhm h ALA 68 Cb 1.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3fhm h ALA 68 CO -0.08 0.00 -0.22 0.66 0.00 0.00 0.00 179.25 179.61 3fhm h SER 69 N 0.00 0.00 0.62 0.00 4.64 -1.24 -2.87 113.55 114.69 3fhm h SER 69 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3fhm h SER 69 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3fhm h SER 69 CO 0.00 0.22 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.02 3fhm h LEU 70 N 0.00 0.00 0.00 5.97 3.38 -1.71 -2.86 115.31 120.10 3fhm h LEU 70 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 3fhm h LEU 70 Cb 0.78 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3fhm h LEU 70 CO 0.03 0.08 -1.13 1.56 0.09 0.00 0.00 178.44 179.07 3fhm h GLN 71 N 0.00 0.00 -7.20 1.13 1.08 -1.70 -1.56 115.11 106.86 3fhm h GLN 71 Ca -0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.68 3fhm h GLN 71 Cb 0.42 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 27.96 3fhm h GLN 71 CO 0.01 0.88 0.37 -0.65 -0.95 0.00 0.00 178.83 178.49 3fhm s GLN 72 N -2.70 2.60 0.28 1.46 -0.21 -1.08 -4.78 119.66 115.24 3fhm s GLN 72 Ca -0.00 1.48 -0.29 0.00 0.02 0.00 0.00 55.36 56.57 3fhm s GLN 72 Cb 0.10 -1.92 -0.09 0.00 1.00 0.00 0.00 33.01 32.09 3fhm s GLN 72 CO 0.82 -1.42 1.04 0.45 -2.12 0.00 0.00 175.29 174.06 3fhm s SER 73 N -2.46 7.32 0.61 5.90 0.15 -1.26 -1.20 113.70 122.75 3fhm s SER 73 Ca 0.69 2.14 0.28 0.00 0.70 0.00 0.00 55.95 59.75 3fhm s SER 73 Cb -0.23 -2.62 1.42 0.00 -1.71 0.00 0.00 66.02 62.89 3fhm s SER 73 CO 0.43 -0.10 1.83 1.62 1.20 0.00 0.00 173.24 178.22 3fhm h VAL 74 N 2.98 0.25 -0.25 4.45 3.04 -1.49 -2.24 116.25 122.99 3fhm h VAL 74 Ca -0.46 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.16 3fhm h VAL 74 Cb 1.21 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 3fhm h VAL 74 CO 0.67 0.00 -0.13 0.28 -1.01 0.00 0.00 177.57 177.37 3fhm h SER 75 N 0.00 0.40 1.09 3.17 0.02 -1.85 -2.15 113.55 114.23 3fhm h SER 75 Ca 0.19 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3fhm h SER 75 Cb 1.23 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3fhm h SER 75 CO -0.00 0.57 -0.03 1.33 -1.14 0.00 0.00 176.83 177.55 3fhm n VAL 76 N -4.22 0.14 0.28 2.27 0.24 -0.84 -4.00 118.33 112.20 3fhm n VAL 76 Ca 0.00 -0.07 0.05 0.00 -2.04 0.00 0.00 64.34 62.29 3fhm n VAL 76 Cb 0.31 -0.48 -0.07 0.00 -1.47 0.00 0.00 33.84 32.12 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 -1.57 2.96 -1.75 2.33 0.00 -1.06 -5.03 120.51 116.38 3fhm n ALA 77 Ca 0.07 -0.29 -0.33 0.00 0.00 0.00 0.00 53.44 52.89 3fhm n ALA 77 Cb 0.36 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.36 3.66 -0.37 0.00 0.23 -0.83 -4.88 119.30 114.75 3fhm s MET 78 Ca 0.00 1.21 -0.28 0.00 -1.03 0.00 0.00 55.69 55.60 3fhm s MET 78 Cb 0.08 -2.08 0.02 0.00 -1.53 0.00 0.00 34.83 31.31 3fhm s MET 78 CO 0.45 -0.53 1.05 0.99 -2.03 0.00 0.00 175.02 174.95 3fhm s THR 79 N -2.29 4.46 0.10 3.16 2.01 -0.80 -4.89 115.64 117.38 3fhm s THR 79 Ca 0.64 1.47 -0.12 0.00 0.31 0.00 0.00 61.69 63.99 3fhm s THR 79 Cb -0.15 -4.43 -0.17 0.00 0.01 0.00 0.00 72.50 67.76 3fhm s THR 79 CO 0.28 -0.61 1.28 0.11 -0.69 0.00 0.00 174.62 174.99 3fhm h LYS 80 N 8.45 0.74 -5.55 4.92 1.57 -1.88 -1.16 116.57 123.66 3fhm h LYS 80 Ca -0.22 -0.66 -0.64 0.00 -1.87 0.00 0.00 60.65 57.26 3fhm h LYS 80 Cb 1.07 0.15 -0.14 0.00 0.08 0.00 0.00 32.23 33.39 3fhm h LYS 80 CO 1.04 1.26 1.12 -0.80 -0.57 0.00 0.00 179.45 181.49 3fhm s ASN 81 N -7.15 6.54 -0.29 0.86 0.02 -1.26 -4.49 114.94 109.17 3fhm s ASN 81 Ca -0.10 -1.69 -0.13 0.00 -1.02 0.00 0.00 52.86 49.93 3fhm s ASN 81 Cb 0.08 -2.48 -0.04 0.00 0.02 0.00 0.00 41.25 38.83 3fhm s ASN 81 CO 0.91 -1.30 0.26 -0.69 0.02 0.00 0.00 177.10 176.29 3fhm s VAL 82 N 3.83 5.26 0.37 1.60 1.01 -1.26 -5.05 120.40 126.16 3fhm s VAL 82 Ca 0.38 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.46 3fhm s VAL 82 Cb -0.03 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 3fhm s VAL 82 CO -0.08 0.18 0.77 0.68 0.00 0.00 0.00 175.10 176.65 3fhm s VAL 83 N 1.86 4.70 0.28 2.92 -7.23 -1.26 -5.07 120.40 116.60 3fhm s VAL 83 Ca 0.09 0.85 0.02 0.00 -1.81 0.00 0.00 61.98 61.14 3fhm s VAL 83 Cb -0.16 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 3fhm s VAL 83 CO 0.11 -0.35 0.14 -0.13 -0.31 0.00 0.00 175.10 174.56 3fhm s ARG 84 N -3.39 1.50 0.41 4.82 0.52 -1.26 -4.23 118.95 117.32 3fhm s ARG 84 Ca 0.54 -1.84 0.05 0.00 -0.52 0.00 0.00 55.73 53.95 3fhm s ARG 84 Cb -0.10 -0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.26 3fhm s ARG 84 CO 0.23 -0.41 0.16 0.00 0.02 0.00 0.00 175.30 175.31 3fhm s GLN 86 N -3.63 1.57 0.56 0.00 1.11 -1.26 -0.91 119.66 117.08 3fhm s GLN 86 Ca 0.25 -1.85 0.24 0.00 0.01 0.00 0.00 55.36 54.01 3fhm s GLN 86 Cb 0.02 -0.74 1.52 0.00 -1.01 0.00 0.00 33.01 32.80 3fhm s GLN 86 CO 0.17 -0.19 2.14 0.45 0.01 0.00 0.00 175.29 177.87 3fhm h HIS 87 N 2.21 0.00 -0.35 0.91 3.86 -1.96 -2.46 115.15 117.36 3fhm h HIS 87 Ca -0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 3fhm h HIS 87 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 3fhm h HIS 87 CO 0.56 0.00 0.00 0.27 0.86 0.00 0.00 177.93 179.62 3fhm n ASN 88 N -4.17 3.01 -4.74 2.45 6.94 -1.26 -0.56 115.26 116.93 3fhm n ASN 88 Ca 0.00 -2.06 -0.37 0.00 -0.02 0.00 0.00 54.58 52.13 3fhm n ASN 88 Cb 0.23 -0.26 0.05 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 -1.05 4.94 0.07 0.53 0.01 -0.93 -4.84 113.70 112.43 3fhm s SER 89 Ca 0.25 2.60 0.04 0.00 1.31 0.00 0.00 55.95 60.15 3fhm s SER 89 Cb 0.14 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 3fhm s SER 89 CO 0.16 -1.78 0.01 0.42 0.41 0.00 0.00 173.24 172.46 3fhm s THR 90 N -1.42 4.08 0.02 1.44 -4.23 -1.26 -1.39 115.64 112.88 3fhm s THR 90 Ca 0.78 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 60.39 3fhm s THR 90 Cb -0.36 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.57 3fhm s THR 90 CO 0.40 0.18 0.11 0.41 -0.54 0.00 0.00 174.62 175.18 3fhm n THR 91 N 0.74 -0.04 -0.03 3.99 -1.04 -0.66 -0.78 114.28 116.47 3fhm n THR 91 Ca -0.11 0.17 -0.09 0.00 -2.04 0.00 0.00 64.05 61.98 3fhm n THR 91 Cb 0.52 -0.23 -0.03 0.00 -1.82 0.00 0.00 70.33 68.77 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 0.03 -0.15 8.00 3.32 -1.96 -2.81 116.42 122.85 3fhm h ASP 92 Ca 0.02 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3fhm h ASP 92 Cb 0.04 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3fhm h ASP 92 CO -0.07 0.04 0.01 1.56 -1.72 0.00 0.00 179.24 179.06 3fhm h GLN 93 N 0.12 0.27 -0.71 3.56 4.20 -1.36 -2.87 115.11 118.31 3fhm h GLN 93 Ca 0.08 -0.08 0.10 0.00 0.06 0.00 0.00 58.65 58.81 3fhm h GLN 93 Cb 0.06 -0.03 -0.12 0.00 0.30 0.00 0.00 27.48 27.69 3fhm h GLN 93 CO -0.09 0.48 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.05 3fhm h LEU 94 N 0.02 -1.53 -1.35 1.46 4.07 -1.05 0.16 115.31 117.09 3fhm h LEU 94 Ca 0.04 0.27 0.22 0.00 0.08 0.00 0.00 57.88 58.49 3fhm h LEU 94 Cb 0.36 0.72 -0.08 0.00 1.08 0.00 0.00 40.66 42.73 3fhm h LEU 94 CO 0.01 -0.31 0.62 0.24 -1.08 0.00 0.00 178.44 177.92 3fhm h MET 95 N -0.15 0.48 0.14 1.13 2.86 -1.36 0.60 114.93 118.63 3fhm h MET 95 Ca 0.22 -0.03 -0.29 0.00 -2.06 0.00 0.00 59.70 57.54 3fhm h MET 95 Cb 0.55 -0.11 0.02 0.00 0.06 0.00 0.00 31.60 32.12 3fhm h MET 95 CO -0.78 0.32 -1.27 0.93 1.06 0.00 0.00 176.91 177.17 3fhm h GLU 96 N 0.49 0.43 0.11 1.72 5.08 -0.51 -2.05 114.58 119.85 3fhm h GLU 96 Ca 0.53 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3fhm h GLU 96 Cb 1.20 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 3fhm h GLU 96 CO -0.26 1.29 -0.09 0.82 -1.00 0.00 0.00 179.01 179.78 3fhm h ILE 97 N 0.15 0.79 -0.90 3.13 2.04 -0.47 -0.25 117.51 122.00 3fhm h ILE 97 Ca -0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3fhm h ILE 97 Cb 1.96 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 38.79 3fhm h ILE 97 CO 0.22 0.00 0.60 0.24 0.00 0.00 0.00 178.15 179.21 3fhm h MET 98 N -0.21 1.16 -0.01 2.37 2.86 -0.96 -0.24 114.93 119.90 3fhm h MET 98 Ca 0.00 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3fhm h MET 98 Cb 0.20 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3fhm h MET 98 CO -0.02 0.77 -0.19 1.15 1.06 0.00 0.00 176.91 179.68 3fhm h THR 99 N 1.20 1.53 -0.40 2.22 2.02 -1.16 -1.85 112.91 116.47 3fhm h THR 99 Ca 0.34 -1.83 -0.10 0.00 0.77 0.00 0.00 66.41 65.59 3fhm h THR 99 Cb -0.09 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 3fhm h THR 99 CO -0.08 0.50 -0.15 1.23 0.37 0.00 0.00 175.52 177.39 3fhm h GLY 100 N -0.51 0.87 1.98 2.16 0.00 -0.99 -3.08 103.07 103.51 3fhm h GLY 100 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.55 3fhm h GLY 100 CO 0.04 0.69 -0.02 -1.33 0.00 0.00 0.00 176.54 175.92 3fhm h GLY 101 N 0.62 0.00 -5.69 4.60 0.00 -1.14 -3.48 103.07 97.98 3fhm h GLY 101 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.11 3fhm h GLY 101 CO 0.05 0.00 -0.84 0.54 0.00 0.00 0.00 176.54 176.29 3fhm n ARG 102 N -2.96 -3.94 -4.09 4.80 1.74 -0.71 -5.06 116.66 106.45 3fhm n ARG 102 Ca 0.04 0.78 -0.11 0.00 -0.77 0.00 0.00 57.85 57.79 3fhm n ARG 102 Cb 0.51 -5.57 -0.07 0.00 -1.02 0.00 0.00 32.46 26.32 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 -3.43 0.76 0.00 -1.55 -0.71 -1.11 -5.07 117.98 106.87 3fhm s PHE 103 Ca 0.25 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.09 3fhm s PHE 103 Cb -0.04 -0.12 0.00 0.00 -1.21 0.00 0.00 43.02 41.65 3fhm s PHE 103 CO 0.76 -0.90 0.66 0.54 -1.34 0.00 0.00 175.22 174.95 3fhm n ARG 104 N -0.38 1.16 -3.75 1.99 1.74 -1.26 -4.51 116.66 111.66 3fhm n ARG 104 Ca 0.00 -0.88 -0.15 0.00 -0.77 0.00 0.00 57.85 56.05 3fhm n ARG 104 Cb 0.63 -0.78 -0.16 0.00 -1.02 0.00 0.00 32.46 31.13 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 -0.43 -0.02 -0.19 -1.55 3.76 -1.26 -1.75 115.29 113.85 3fhm s HIS 105 Ca 0.00 0.26 -0.02 0.00 -0.15 0.00 0.00 55.06 55.15 3fhm s HIS 105 Cb 0.00 -0.24 0.06 0.00 1.11 0.00 0.00 32.58 33.51 3fhm s HIS 105 CO 0.00 -0.13 0.01 0.14 -0.85 0.00 0.00 174.74 173.91 3fhm s VAL 106 N 1.31 0.75 0.39 -0.90 -7.23 -0.09 -4.99 120.40 109.64 3fhm s VAL 106 Ca -0.07 -0.64 -0.27 0.00 -1.81 0.00 0.00 61.98 59.19 3fhm s VAL 106 Cb -0.12 -1.16 -0.11 0.00 0.56 0.00 0.00 36.38 35.55 3fhm s VAL 106 CO -0.04 -0.13 1.43 -2.65 -0.31 0.00 0.00 175.10 173.40 3fhm n PRO 107 N 4.97 2.43 -3.36 4.82 -0.02 -1.26 -2.24 135.00 140.35 3fhm n PRO 107 Ca -0.10 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 61.86 3fhm n PRO 107 Cb 0.47 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 3fhm n PRO 107 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fhm s VAL 108 N -1.14 5.10 0.27 -1.45 1.01 -0.70 -1.79 120.40 121.69 3fhm s VAL 108 Ca 0.56 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3fhm s VAL 108 Cb -0.49 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 3fhm s VAL 108 CO 0.62 0.41 0.02 1.21 0.00 0.00 0.00 175.10 177.36 3fhm n GLU 109 N 3.00 1.20 0.00 2.72 2.13 -0.09 -1.56 120.64 128.04 3fhm n GLU 109 Ca -0.09 -2.02 0.00 0.00 0.66 0.00 0.00 57.16 55.71 3fhm n GLU 109 Cb 0.52 0.65 0.00 0.00 0.27 0.00 0.00 31.44 32.88 3fhm n GLU 109 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fhm n GLY 112 N 1.43 -0.07 3.58 8.31 0.00 -1.26 -4.38 105.19 112.80 3fhm n GLY 112 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.79 2.10 -0.02 1.61 0.52 -1.26 -5.09 118.95 115.02 3fhm s ARG 113 Ca 0.00 -1.27 -0.30 0.00 -0.52 0.00 0.00 55.73 53.64 3fhm s ARG 113 Cb 0.00 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 3fhm s ARG 113 CO 0.00 0.43 1.19 -1.17 0.02 0.00 0.00 175.30 175.77 3fhm s LEU 114 N -2.91 4.31 -0.01 2.53 2.96 -1.26 -4.93 118.68 119.36 3fhm s LEU 114 Ca 0.26 1.86 0.02 0.00 -0.22 0.00 0.00 54.13 56.04 3fhm s LEU 114 Cb -0.09 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.06 3fhm s LEU 114 CO 0.16 -0.53 1.01 0.00 -1.32 0.00 0.00 176.35 175.66 3fhm n ALA 115 N 4.79 2.01 0.00 5.97 0.00 -0.60 -5.01 120.51 127.67 3fhm n ALA 115 Ca 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.42 3fhm n ALA 115 Cb 0.47 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.11 -1.29 3.24 0.00 0.00 -1.25 -4.85 105.19 100.92 3fhm n GLY 116 Ca 0.01 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.04 -0.00 -0.09 -0.61 2.07 -1.26 -1.72 121.20 117.54 3fhm s ILE 117 Ca 0.00 0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.28 3fhm s ILE 117 Cb 0.00 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 42.07 3fhm s ILE 117 CO 0.00 0.01 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.22 3fhm s ILE 118 N 0.32 2.63 0.22 2.00 -1.09 -0.95 -4.97 121.20 119.36 3fhm s ILE 118 Ca -0.01 -0.84 0.10 0.00 -2.23 0.00 0.00 60.65 57.67 3fhm s ILE 118 Cb -0.03 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 38.76 3fhm s ILE 118 CO -0.01 0.55 -0.11 -0.94 -1.23 0.00 0.00 174.94 173.20 3fhm s SER 119 N 0.05 4.11 0.40 3.58 1.04 -1.26 -0.91 113.70 120.70 3fhm s SER 119 Ca -0.07 -0.70 0.22 0.00 0.48 0.00 0.00 55.95 55.88 3fhm s SER 119 Cb -0.15 -0.62 1.22 0.00 0.10 0.00 0.00 66.02 66.57 3fhm s SER 119 CO 0.05 0.07 1.70 -0.29 0.98 0.00 0.00 173.24 175.75 3fhm h ILE 120 N 2.55 0.34 -0.78 -1.02 2.10 -1.73 0.53 117.51 119.50 3fhm h ILE 120 Ca -0.45 -0.09 -0.02 0.00 1.08 0.00 0.00 64.86 65.37 3fhm h ILE 120 Cb 1.22 0.05 -0.04 0.00 -1.09 0.00 0.00 36.82 36.96 3fhm h ILE 120 CO 0.56 0.05 0.40 1.23 -1.08 0.00 0.00 178.15 179.30 3fhm h GLY 121 N 0.27 1.19 0.90 8.18 0.00 -1.96 -1.36 103.07 110.29 3fhm h GLY 121 Ca 0.70 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3fhm h GLY 121 CO -0.39 0.54 -0.18 -0.55 0.00 0.00 0.00 176.54 175.96 3fhm h ASP 122 N 1.09 -0.45 -0.04 0.19 3.32 -1.30 -0.88 116.42 118.36 3fhm h ASP 122 Ca 0.27 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.39 3fhm h ASP 122 Cb 0.08 0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 3fhm h ASP 122 CO -0.04 -0.28 -0.35 0.58 -1.72 0.00 0.00 179.24 177.42 3fhm h VAL 123 N -0.44 0.25 -0.08 -1.35 2.07 -1.39 -0.16 116.25 115.15 3fhm h VAL 123 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3fhm h VAL 123 Cb 0.37 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 3fhm h VAL 123 CO 0.02 0.00 -0.51 0.58 0.02 0.00 0.00 177.57 177.68 3fhm h VAL 124 N -0.48 0.04 -0.58 2.57 2.07 -1.18 -1.95 116.25 116.73 3fhm h VAL 124 Ca 0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.66 3fhm h VAL 124 Cb 0.59 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3fhm h VAL 124 CO -0.31 0.00 0.39 0.50 0.02 0.00 0.00 177.57 178.17 3fhm h LYS 125 N -0.60 0.47 -0.53 1.57 3.64 -0.75 -1.23 116.57 119.14 3fhm h LYS 125 Ca 0.04 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3fhm h LYS 125 Cb 0.69 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3fhm h LYS 125 CO -0.40 0.31 0.17 0.00 -2.27 0.00 0.00 179.45 177.26 3fhm h ALA 126 N 1.69 1.31 0.00 5.00 0.00 -0.31 -2.17 119.26 124.79 3fhm h ALA 126 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fhm h ALA 126 Cb 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3fhm h ALA 126 CO -0.07 0.50 0.00 0.54 0.00 0.00 0.00 179.25 180.22 3fhm n ARG 127 N -4.31 0.73 0.00 0.00 5.12 -0.47 -5.00 116.66 112.72 3fhm n ARG 127 Ca 0.04 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.97 3fhm n ARG 127 Cb 0.19 -1.47 0.01 0.00 -1.16 0.00 0.00 32.46 30.03 3fhm n ARG 127 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14