#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhf s ILE 2 N 0.00 3.53 -0.51 1.09 2.07 -1.26 -4.92 121.20 121.19 3mhf s ILE 2 Ca 0.00 1.22 -0.08 0.00 -1.41 0.00 0.00 60.65 60.38 3mhf s ILE 2 Cb 0.00 -3.78 0.13 0.00 0.13 0.00 0.00 42.46 38.94 3mhf s ILE 2 CO 0.00 0.16 0.37 -0.89 -1.91 0.00 0.00 174.94 172.67 3mhf s THR 3 N 0.31 4.11 0.52 4.00 2.01 -1.26 -5.08 115.64 120.24 3mhf s THR 3 Ca 0.56 -2.05 -0.00 0.00 0.31 0.00 0.00 61.69 60.51 3mhf s THR 3 Cb -0.34 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 68.49 3mhf s THR 3 CO 0.35 -0.80 0.75 -0.76 -0.69 0.00 0.00 174.62 173.47 3mhf s LEU 4 N 1.03 3.42 0.39 4.42 1.43 -1.26 -5.02 118.68 123.08 3mhf s LEU 4 Ca 0.09 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 3mhf s LEU 4 Cb -0.24 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 3mhf s LEU 4 CO -0.02 -0.96 0.10 0.42 0.23 0.00 0.00 176.35 176.12 3mhf s THR 5 N -2.71 0.78 0.16 5.49 -4.23 -1.26 -4.97 115.64 108.90 3mhf s THR 5 Ca 0.53 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.86 3mhf s THR 5 Cb -0.10 -2.46 0.07 0.00 1.34 0.00 0.00 72.50 71.35 3mhf s THR 5 CO 0.39 0.00 1.67 -0.08 -0.54 0.00 0.00 174.62 176.06 3mhf h GLU 6 N 1.86 -0.02 -0.02 3.99 4.81 -2.00 0.27 114.58 123.47 3mhf h GLU 6 Ca -0.37 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.66 3mhf h GLU 6 Cb 1.27 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 3mhf h GLU 6 CO 0.61 -0.01 -0.84 -0.91 -0.73 0.00 0.00 179.01 177.13 3mhf h ASN 7 N -0.02 0.42 -0.40 1.04 2.35 -1.97 -2.33 115.58 114.68 3mhf h ASN 7 Ca 0.17 -0.32 -0.09 0.00 -0.55 0.00 0.00 56.30 55.51 3mhf h ASN 7 Cb 0.28 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3mhf h ASN 7 CO -0.38 1.09 -0.08 0.11 -1.65 0.00 0.00 177.43 176.52 3mhf h LYS 8 N 0.20 0.84 -0.43 0.81 1.57 -1.69 -0.73 116.57 117.13 3mhf h LYS 8 Ca -0.05 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 3mhf h LYS 8 Cb 1.45 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 3mhf h LYS 8 CO 0.14 0.89 0.21 -0.09 -0.57 0.00 0.00 179.45 180.03 3mhf h ARG 9 N 0.76 0.63 -0.73 3.15 2.43 -0.90 0.07 114.38 119.79 3mhf h ARG 9 Ca 0.13 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3mhf h ARG 9 Cb 0.57 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3mhf h ARG 9 CO 0.04 0.54 0.35 0.87 -1.51 0.00 0.00 179.97 180.26 3mhf h LYS 10 N 0.56 1.04 -0.00 0.20 1.57 -1.10 -0.65 116.57 118.19 3mhf h LYS 10 Ca 0.15 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3mhf h LYS 10 Cb 0.12 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3mhf h LYS 10 CO -0.02 0.80 0.00 0.77 -0.57 0.00 0.00 179.45 180.43 3mhf h SER 11 N 1.03 0.00 -0.76 0.86 0.02 -0.89 -2.19 113.55 111.63 3mhf h SER 11 Ca 0.25 -0.29 0.17 0.00 -0.84 0.00 0.00 61.79 61.09 3mhf h SER 11 Cb 0.10 -0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.52 3mhf h SER 11 CO -0.03 0.29 0.15 0.24 -1.14 0.00 0.00 176.83 176.34 3mhf h MET 12 N -0.28 0.22 -0.52 3.45 2.86 -0.53 -1.16 114.93 118.97 3mhf h MET 12 Ca 0.00 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3mhf h MET 12 Cb 0.29 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3mhf h MET 12 CO 0.00 0.15 0.13 0.93 1.06 0.00 0.00 176.91 179.18 3mhf h GLU 13 N 0.23 0.80 0.00 1.72 5.08 -0.90 -0.98 114.58 120.52 3mhf h GLU 13 Ca 0.43 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3mhf h GLU 13 Cb 0.77 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3mhf h GLU 13 CO -0.56 0.72 0.00 0.87 -1.00 0.00 0.00 179.01 179.04 3mhf h LYS 14 N 0.77 0.00 -0.01 2.33 1.57 -0.60 -2.81 116.57 117.82 3mhf h LYS 14 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3mhf h LYS 14 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3mhf h LYS 14 CO -0.00 0.00 -0.27 1.28 -0.57 0.00 0.00 179.45 179.89 3mhf n LEU 15 N -2.73 1.64 -4.28 2.94 4.77 -0.40 -2.48 117.00 116.47 3mhf n LEU 15 Ca 0.02 -0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 55.30 3mhf n LEU 15 Cb 0.30 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 3mhf n LEU 15 CO 0.25 0.30 -0.24 -0.94 -1.33 0.00 0.00 177.39 175.43 3mhf s SER 16 N -2.37 0.87 -0.14 -1.43 1.04 -1.02 -4.18 113.70 106.47 3mhf s SER 16 Ca 0.25 -1.42 -0.01 0.00 0.48 0.00 0.00 55.95 55.25 3mhf s SER 16 Cb 0.19 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.63 3mhf s SER 16 CO 0.49 -0.80 -0.03 -0.69 0.98 0.00 0.00 173.24 173.19 3mhf s VAL 17 N -3.88 0.83 -1.51 5.02 1.01 -0.03 -4.78 120.40 117.07 3mhf s VAL 17 Ca 0.38 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 3mhf s VAL 17 Cb 0.07 -1.02 0.08 0.00 0.00 0.00 0.00 36.38 35.51 3mhf s VAL 17 CO 0.14 0.17 1.00 0.47 0.00 0.00 0.00 175.10 176.87 3mhf n ASP 18 N 4.98 -4.84 0.00 3.32 8.00 -1.26 -1.39 116.55 125.36 3mhf n ASP 18 Ca -0.10 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.64 3mhf n ASP 18 Cb 0.49 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 3mhf n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhf n GLY 19 N -1.72 0.43 3.31 0.44 0.00 -1.26 -4.67 105.19 101.72 3mhf n GLY 19 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3mhf n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mhf s VAL 20 N -1.91 2.67 -0.40 1.61 1.01 -0.49 -0.53 120.40 122.36 3mhf s VAL 20 Ca 0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 3mhf s VAL 20 Cb 0.00 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.30 3mhf s VAL 20 CO 0.00 0.54 0.61 -0.63 0.00 0.00 0.00 175.10 175.62 3mhf s ILE 21 N 0.38 4.88 -0.69 2.22 1.01 -0.08 -0.85 121.20 128.08 3mhf s ILE 21 Ca -0.13 0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.82 3mhf s ILE 21 Cb -0.17 -4.13 0.27 0.00 0.01 0.00 0.00 42.46 38.44 3mhf s ILE 21 CO 0.06 -0.46 0.86 -1.54 0.00 0.00 0.00 174.94 173.87 3mhf n SER 22 N 6.10 4.19 -4.83 3.58 3.41 -1.26 -0.47 113.62 124.34 3mhf n SER 22 Ca -0.02 -3.47 -0.36 0.00 -0.26 0.00 0.00 58.87 54.76 3mhf n SER 22 Cb 0.48 -0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 3mhf n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mhf s ALA 23 N -2.64 3.49 -0.21 7.33 0.00 -0.75 -2.05 121.76 126.94 3mhf s ALA 23 Ca 0.40 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.23 3mhf s ALA 23 Cb 0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 3mhf s ALA 23 CO -0.01 0.38 0.43 -1.17 0.00 0.00 0.00 175.76 175.39 3mhf s LEU 24 N -1.90 4.15 -0.36 0.00 2.96 0.07 -3.31 118.68 120.28 3mhf s LEU 24 Ca 0.40 0.54 -0.21 0.00 -0.22 0.00 0.00 54.13 54.64 3mhf s LEU 24 Cb -0.16 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 43.98 3mhf s LEU 24 CO 0.20 -0.11 0.68 0.00 -1.32 0.00 0.00 176.35 175.80 3mhf s ALA 25 N 1.44 3.44 -0.20 5.97 0.00 -0.89 -0.49 121.76 131.02 3mhf s ALA 25 Ca 0.20 -0.81 0.20 0.00 0.00 0.00 0.00 51.96 51.55 3mhf s ALA 25 Cb -0.15 -3.24 0.43 0.00 0.00 0.00 0.00 23.12 20.16 3mhf s ALA 25 CO 0.08 -1.41 1.20 0.34 0.00 0.00 0.00 175.76 175.98 3mhf n PHE 26 N 6.17 0.24 -0.30 0.00 7.35 -0.09 -4.35 117.46 126.48 3mhf n PHE 26 Ca 0.00 -1.60 0.08 0.00 -0.76 0.00 0.00 57.45 55.17 3mhf n PHE 26 Cb 0.48 0.20 0.31 0.00 0.35 0.00 0.00 39.48 40.83 3mhf n PHE 26 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3mhf n ASP 27 N -0.53 4.20 -4.67 -2.13 5.75 -1.04 -4.30 116.55 113.83 3mhf n ASP 27 Ca -0.01 -2.42 -0.42 0.00 -0.01 0.00 0.00 54.79 51.93 3mhf n ASP 27 Cb 0.88 -0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 40.40 3mhf n ASP 27 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3mhf s GLN 28 N -1.87 4.17 0.00 0.11 1.11 -1.26 -4.51 119.66 117.41 3mhf s GLN 28 Ca 0.44 2.40 0.00 0.00 0.01 0.00 0.00 55.36 58.21 3mhf s GLN 28 Cb 0.29 -3.92 0.00 0.00 -1.01 0.00 0.00 33.01 28.37 3mhf s GLN 28 CO 0.20 -0.86 0.00 2.89 0.01 0.00 0.00 175.29 177.54 3mhf n ARG 29 N 6.78 0.00 0.25 2.91 0.00 -1.26 -4.49 116.66 120.85 3mhf n ARG 29 Ca 0.18 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.87 3mhf n ARG 29 Cb 0.41 -0.28 -0.08 0.00 -0.00 0.00 0.00 32.46 32.51 3mhf n ARG 29 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 3mhf h GLY 30 N 0.00 -0.65 1.84 2.89 0.00 -2.01 -2.88 103.07 102.26 3mhf h GLY 30 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3mhf h GLY 30 CO 0.00 -0.24 0.07 0.00 0.00 0.00 0.00 176.54 176.37 3mhf h ALA 31 N -0.06 1.06 0.22 3.60 0.00 -1.97 -1.73 119.26 120.36 3mhf h ALA 31 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 3mhf h ALA 31 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.31 3mhf h ALA 31 CO 0.07 -0.06 -1.59 1.25 0.00 0.00 0.00 179.25 178.92 3mhf h LEU 32 N 0.00 0.71 0.59 0.00 5.85 -1.73 -3.18 115.31 117.55 3mhf h LEU 32 Ca 0.00 -0.93 -0.03 0.00 0.84 0.00 0.00 57.88 57.76 3mhf h LEU 32 Cb 0.14 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 40.94 3mhf h LEU 32 CO 0.00 1.74 -0.29 0.11 -0.34 0.00 0.00 178.44 179.66 3mhf h LYS 33 N 0.09 -0.77 -0.74 1.25 1.57 -1.31 -1.97 116.57 114.70 3mhf h LYS 33 Ca -0.30 0.05 0.21 0.00 -1.87 0.00 0.00 60.65 58.75 3mhf h LYS 33 Cb 2.11 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 34.56 3mhf h LYS 33 CO 0.22 -0.51 0.64 0.00 -0.57 0.00 0.00 179.45 179.23 3mhf h ARG 34 N -0.80 0.00 -0.00 3.15 3.08 -1.64 0.35 114.38 118.51 3mhf h ARG 34 Ca -0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3mhf h ARG 34 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3mhf h ARG 34 CO 0.13 0.00 -0.04 0.52 -1.07 0.00 0.00 179.97 179.51 3mhf h MET 35 N 0.00 0.03 -0.60 0.04 2.86 -1.44 -3.30 114.93 112.53 3mhf h MET 35 Ca 0.35 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 3mhf h MET 35 Cb 1.64 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.27 3mhf h MET 35 CO -0.00 0.77 0.38 0.52 1.06 0.00 0.00 176.91 179.64 3mhf h MET 36 N -0.69 0.80 0.00 1.72 2.86 0.17 -2.71 114.93 117.08 3mhf h MET 36 Ca -0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3mhf h MET 36 Cb 0.78 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.27 3mhf h MET 36 CO 0.01 0.55 0.00 0.00 1.06 0.00 0.00 176.91 178.53 3mhf h ALA 37 N 1.20 1.00 0.00 6.32 0.00 -0.60 -2.08 119.26 125.10 3mhf h ALA 37 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3mhf h ALA 37 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3mhf h ALA 37 CO -0.04 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.25 3mhf n GLN 38 N -2.30 0.15 -0.31 0.00 6.02 -1.02 -3.25 117.38 116.68 3mhf n GLN 38 Ca -0.01 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 3mhf n GLN 38 Cb 0.05 -1.88 0.00 0.00 1.02 0.00 0.00 30.24 29.44 3mhf n GLN 38 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3mhf n HIS 39 N -2.18 0.00 -3.67 1.08 8.25 -0.92 -5.08 115.22 112.69 3mhf n HIS 39 Ca 0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 3mhf n HIS 39 Cb 0.13 0.12 -0.12 0.00 1.12 0.00 0.00 29.99 31.25 3mhf n HIS 39 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3mhf s GLN 40 N 0.00 3.45 0.87 -0.41 2.00 -0.83 -4.84 119.66 119.90 3mhf s GLN 40 Ca 0.00 -0.64 -0.14 0.00 -2.00 0.00 0.00 55.36 52.59 3mhf s GLN 40 Cb 0.00 -3.52 0.01 0.00 0.80 0.00 0.00 33.01 30.30 3mhf s GLN 40 CO 0.00 -0.35 0.47 0.25 -0.50 0.00 0.00 175.29 175.16 3mhf n THR 41 N 4.97 0.67 -1.81 -0.34 -2.24 -1.26 -4.68 114.28 109.59 3mhf n THR 41 Ca -0.14 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3mhf n THR 41 Cb 0.50 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 3mhf n THR 41 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3mhf n LYS 42 N -1.41 0.00 -4.48 -0.78 2.85 -1.26 -4.54 118.16 108.54 3mhf n LYS 42 Ca 0.08 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 57.00 3mhf n LYS 42 Cb 0.52 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.76 3mhf n LYS 42 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3mhf s GLU 43 N 0.00 3.38 -0.28 -1.58 2.12 -1.26 -4.99 118.70 116.09 3mhf s GLU 43 Ca 0.00 -0.67 -0.31 0.00 0.36 0.00 0.00 54.97 54.35 3mhf s GLU 43 Cb 0.00 -2.75 -0.08 0.00 0.26 0.00 0.00 34.13 31.57 3mhf s GLU 43 CO 0.00 0.08 2.21 -2.30 -0.54 0.00 0.00 175.26 174.71 3mhf n PRO 44 N 3.94 1.56 -1.76 4.30 -0.02 -1.26 -4.95 135.00 136.81 3mhf n PRO 44 Ca -0.18 0.42 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 3mhf n PRO 44 Cb 0.52 -2.89 0.05 0.00 -0.02 0.00 0.00 33.50 31.16 3mhf n PRO 44 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3mhf s THR 45 N 7.90 3.65 0.45 3.45 -4.23 -1.26 -4.86 115.64 120.74 3mhf s THR 45 Ca 1.05 0.54 0.27 0.00 -1.18 0.00 0.00 61.69 62.36 3mhf s THR 45 Cb -0.57 -3.44 0.47 0.00 1.34 0.00 0.00 72.50 70.30 3mhf s THR 45 CO 0.41 -0.70 1.74 0.58 -0.54 0.00 0.00 174.62 176.12 3mhf h VAL 46 N -0.72 0.39 0.06 2.29 2.07 -2.00 -1.72 116.25 116.63 3mhf h VAL 46 Ca -0.45 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.02 3mhf h VAL 46 Cb 1.24 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3mhf h VAL 46 CO 0.62 0.04 -0.18 -0.08 0.02 0.00 0.00 177.57 177.99 3mhf h GLU 47 N 0.21 -0.31 -0.10 1.57 4.81 -1.99 -1.69 114.58 117.08 3mhf h GLU 47 Ca 0.64 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.83 3mhf h GLU 47 Cb 2.01 0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.46 3mhf h GLU 47 CO -0.23 -0.20 -0.17 1.96 -0.73 0.00 0.00 179.01 179.63 3mhf h GLN 48 N -0.32 0.29 -0.93 1.92 7.50 -1.68 -2.41 115.11 119.48 3mhf h GLN 48 Ca 0.04 -0.18 0.06 0.00 0.50 0.00 0.00 58.65 59.07 3mhf h GLN 48 Cb 0.36 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 27.85 3mhf h GLN 48 CO -0.13 0.77 0.60 0.97 -1.50 0.00 0.00 178.83 179.54 3mhf h ILE 49 N -0.16 1.08 -0.15 2.54 2.10 -1.53 0.07 117.51 121.46 3mhf h ILE 49 Ca 0.01 -0.37 -0.11 0.00 1.08 0.00 0.00 64.86 65.47 3mhf h ILE 49 Cb 0.75 -0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.39 3mhf h ILE 49 CO 0.04 0.19 -0.38 -0.33 -1.08 0.00 0.00 178.15 176.59 3mhf h GLU 50 N 1.07 0.32 0.44 2.19 5.08 -1.30 -3.02 114.58 119.36 3mhf h GLU 50 Ca 0.40 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3mhf h GLU 50 Cb 0.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3mhf h GLU 50 CO -0.15 0.66 -0.21 1.49 -1.00 0.00 0.00 179.01 179.80 3mhf h GLU 51 N 0.27 -0.57 -0.99 2.33 4.81 -0.53 -2.70 114.58 117.20 3mhf h GLU 51 Ca 0.03 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.49 3mhf h GLU 51 Cb 0.80 0.13 -0.10 0.00 0.63 0.00 0.00 28.75 30.21 3mhf h GLU 51 CO 0.06 -0.28 0.61 1.25 -0.73 0.00 0.00 179.01 179.93 3mhf h LEU 52 N -1.04 0.70 -0.29 1.64 5.85 -1.17 0.37 115.31 121.36 3mhf h LEU 52 Ca -0.06 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3mhf h LEU 52 Cb 0.55 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3mhf h LEU 52 CO 0.10 0.25 0.16 0.11 -0.34 0.00 0.00 178.44 178.73 3mhf h LYS 53 N 0.68 0.33 -0.77 1.25 1.57 -1.56 -1.35 116.57 116.72 3mhf h LYS 53 Ca 0.55 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.28 3mhf h LYS 53 Cb 0.97 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 3mhf h LYS 53 CO -0.33 0.22 0.34 0.77 -0.57 0.00 0.00 179.45 179.88 3mhf h SER 54 N 0.34 1.02 0.02 0.86 0.02 -0.05 0.49 113.55 116.25 3mhf h SER 54 Ca 0.11 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3mhf h SER 54 Cb 0.00 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.28 3mhf h SER 54 CO -0.06 0.88 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.44 3mhf h LEU 55 N 1.10 -0.02 -0.92 5.07 3.38 -0.58 0.41 115.31 123.75 3mhf h LEU 55 Ca 0.26 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3mhf h LEU 55 Cb 0.15 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3mhf h LEU 55 CO -0.03 0.15 0.30 0.58 0.09 0.00 0.00 178.44 179.54 3mhf h VAL 56 N -0.19 1.25 -0.04 1.22 2.07 -1.14 -1.06 116.25 118.35 3mhf h VAL 56 Ca -0.00 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3mhf h VAL 56 Cb 0.18 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3mhf h VAL 56 CO 0.00 0.31 0.02 -1.28 0.02 0.00 0.00 177.57 176.65 3mhf h SER 57 N 1.07 0.05 -0.08 0.57 0.87 -0.70 -0.85 113.55 114.48 3mhf h SER 57 Ca 0.25 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3mhf h SER 57 Cb 0.19 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 3mhf h SER 57 CO -0.02 0.12 -0.09 -0.33 -0.53 0.00 0.00 176.83 175.97 3mhf h GLU 58 N -0.02 -0.12 0.06 2.24 5.08 0.30 -2.44 114.58 119.69 3mhf h GLU 58 Ca 0.01 0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.10 3mhf h GLU 58 Cb 0.08 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3mhf h GLU 58 CO -0.00 -0.08 -1.44 0.93 -1.00 0.00 0.00 179.01 177.42 3mhf h GLU 59 N -0.12 0.13 0.01 2.33 4.39 -1.20 -3.39 114.58 116.72 3mhf h GLU 59 Ca 0.06 -0.23 -0.34 0.00 0.34 0.00 0.00 59.36 59.20 3mhf h GLU 59 Cb 0.21 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 3mhf h GLU 59 CO -0.15 0.95 -2.09 1.28 -1.16 0.00 0.00 179.01 177.84 3mhf n LEU 60 N -3.34 0.66 0.30 1.33 4.77 -0.33 -4.40 117.00 116.00 3mhf n LEU 60 Ca -0.13 0.18 0.18 0.00 -0.03 0.00 0.00 56.01 56.21 3mhf n LEU 60 Cb 1.02 0.21 0.95 0.00 -2.33 0.00 0.00 43.42 43.26 3mhf n LEU 60 CO 0.48 0.49 1.09 0.71 -1.33 0.00 0.00 177.39 178.83 3mhf h THR 61 N 0.00 0.21 0.00 -5.08 1.35 -1.55 0.82 112.91 108.67 3mhf h THR 61 Ca -0.43 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3mhf h THR 61 Cb 2.12 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 3mhf h THR 61 CO 0.05 0.03 0.03 -0.65 -0.25 0.00 0.00 175.52 174.73 3mhf h PRO 62 N 0.00 0.00 -0.27 4.72 0.11 -1.79 -2.48 132.00 132.29 3mhf h PRO 62 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3mhf h PRO 62 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3mhf h PRO 62 CO 0.00 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.98 3mhf n PHE 63 N -3.03 0.67 -4.30 0.65 3.72 0.28 -4.99 117.46 110.45 3mhf n PHE 63 Ca -0.03 -0.71 -0.20 0.00 -0.05 0.00 0.00 57.45 56.47 3mhf n PHE 63 Cb 0.10 -0.18 -0.11 0.00 -0.94 0.00 0.00 39.48 38.35 3mhf n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mhf s ALA 64 N -1.99 1.82 -0.22 4.37 0.00 -0.94 -4.94 121.76 119.85 3mhf s ALA 64 Ca 0.32 -1.45 0.20 0.00 0.00 0.00 0.00 51.96 51.03 3mhf s ALA 64 Cb 0.23 -0.12 0.35 0.00 0.00 0.00 0.00 23.12 23.58 3mhf s ALA 64 CO 0.11 0.15 1.59 0.66 0.00 0.00 0.00 175.76 178.27 3mhf h SER 65 N 3.21 0.00 -5.50 0.00 4.64 -1.70 -3.41 113.55 110.79 3mhf h SER 65 Ca -0.41 0.00 0.26 0.00 -0.47 0.00 0.00 61.79 61.18 3mhf h SER 65 Cb 1.20 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.18 3mhf h SER 65 CO 0.53 0.24 0.69 -0.94 -0.87 0.00 0.00 176.83 176.48 3mhf s SER 66 N -6.28 -0.11 -0.02 4.97 1.04 -1.25 -1.83 113.70 110.20 3mhf s SER 66 Ca 0.05 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.27 3mhf s SER 66 Cb 0.07 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.49 3mhf s SER 66 CO 0.69 -0.52 -0.04 -0.51 0.98 0.00 0.00 173.24 173.83 3mhf s ILE 67 N -2.76 0.43 -0.25 -1.02 2.07 -0.47 -0.75 121.20 118.45 3mhf s ILE 67 Ca 0.13 -0.14 -0.14 0.00 -1.41 0.00 0.00 60.65 59.09 3mhf s ILE 67 Cb 0.02 -0.42 -0.04 0.00 0.13 0.00 0.00 42.46 42.15 3mhf s ILE 67 CO -0.02 0.16 0.32 -0.22 -1.91 0.00 0.00 174.94 173.27 3mhf s LEU 68 N 0.46 4.07 0.25 8.50 2.96 0.35 -1.22 118.68 134.05 3mhf s LEU 68 Ca -0.05 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.19 3mhf s LEU 68 Cb -0.09 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 3mhf s LEU 68 CO -0.00 -0.10 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.07 3mhf s LEU 69 N 1.68 2.50 -0.03 -0.68 1.43 -0.09 -0.92 118.68 122.57 3mhf s LEU 69 Ca 0.13 -1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.01 3mhf s LEU 69 Cb -0.15 -0.64 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 3mhf s LEU 69 CO 0.09 -0.27 0.31 1.51 0.23 0.00 0.00 176.35 178.22 3mhf s ASP 70 N -3.38 6.64 0.36 2.29 -4.77 -1.26 -1.29 116.67 115.25 3mhf s ASP 70 Ca 0.26 0.76 0.26 0.00 -3.30 0.00 0.00 52.55 50.53 3mhf s ASP 70 Cb 0.02 -2.17 1.27 0.00 -1.09 0.00 0.00 42.92 40.95 3mhf s ASP 70 CO 0.10 0.34 1.78 -0.65 0.70 0.00 0.00 175.17 177.43 3mhf h PRO 71 N 4.67 0.00 0.27 2.11 0.11 -1.94 0.25 132.00 137.47 3mhf h PRO 71 Ca -0.52 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3mhf h PRO 71 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mhf h PRO 71 CO 0.61 0.00 -0.13 1.49 -0.21 0.00 0.00 178.00 179.76 3mhf h GLU 72 N 0.00 -0.34 0.00 1.05 4.81 -1.94 -3.40 114.58 114.76 3mhf h GLU 72 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3mhf h GLU 72 Cb 0.15 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3mhf h GLU 72 CO 0.00 -0.23 -1.06 0.66 -0.73 0.00 0.00 179.01 177.65 3mhf n TYR 73 N -4.36 0.00 1.14 0.92 4.01 -1.24 -4.74 117.16 112.89 3mhf n TYR 73 Ca -0.04 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.82 3mhf n TYR 73 Cb 0.14 -0.12 0.20 0.00 -0.31 0.00 0.00 39.34 39.26 3mhf n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mhf n GLY 74 N 1.44 -0.08 0.24 2.72 0.00 0.08 -4.40 105.19 105.18 3mhf n GLY 74 Ca 0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 3mhf n GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mhf h LEU 75 N 2.26 0.75 0.01 0.99 3.38 -1.78 0.83 115.31 121.75 3mhf h LEU 75 Ca 0.00 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3mhf h LEU 75 Cb 0.67 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3mhf h LEU 75 CO 0.00 0.84 -0.12 -0.65 0.09 0.00 0.00 178.44 178.59 3mhf h PRO 76 N 0.64 -0.21 -0.63 1.13 0.11 -1.94 -1.73 132.00 129.38 3mhf h PRO 76 Ca 0.14 0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.42 3mhf h PRO 76 Cb 0.42 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 3mhf h PRO 76 CO 0.01 -0.14 0.44 0.00 -0.21 0.00 0.00 178.00 178.11 3mhf h ALA 77 N 0.74 2.38 0.00 -0.75 0.00 -1.73 -0.18 119.26 119.71 3mhf h ALA 77 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3mhf h ALA 77 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3mhf h ALA 77 CO -0.12 -0.56 -0.50 0.66 0.00 0.00 0.00 179.25 178.74 3mhf h SER 78 N 0.15 0.00 1.65 0.00 4.64 0.08 -2.96 113.55 117.11 3mhf h SER 78 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3mhf h SER 78 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3mhf h SER 78 CO -0.05 0.50 -0.04 0.03 -0.87 0.00 0.00 176.83 176.40 3mhf h ARG 79 N 0.00 0.00 -0.43 4.77 3.08 -0.67 -3.18 114.38 117.95 3mhf h ARG 79 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mhf h ARG 79 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3mhf h ARG 79 CO 0.06 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.29 3mhf n VAL 80 N -2.59 1.94 -1.92 2.04 0.24 -1.12 -4.98 118.33 111.93 3mhf n VAL 80 Ca 0.05 -1.44 -0.32 0.00 -2.04 0.00 0.00 64.34 60.59 3mhf n VAL 80 Cb 0.47 0.02 0.01 0.00 -1.47 0.00 0.00 33.84 32.87 3mhf n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mhf s ARG 81 N -2.14 3.40 0.45 7.34 1.70 -1.19 -3.93 118.95 124.57 3mhf s ARG 81 Ca 0.42 0.95 -0.24 0.00 -0.47 0.00 0.00 55.73 56.39 3mhf s ARG 81 Cb 0.30 -2.05 -0.09 0.00 -0.57 0.00 0.00 34.95 32.54 3mhf s ARG 81 CO 0.16 -0.73 1.23 0.45 -1.08 0.00 0.00 175.30 175.33 3mhf n SER 82 N -2.47 2.29 0.00 -2.89 2.88 -1.26 -4.85 113.62 107.32 3mhf n SER 82 Ca 0.07 1.06 0.06 0.00 -1.33 0.00 0.00 58.87 58.74 3mhf n SER 82 Cb 0.54 -1.48 0.30 0.00 -0.75 0.00 0.00 64.21 62.81 3mhf n SER 82 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3mhf n GLU 83 N -0.13 0.12 0.00 -1.46 -0.58 -1.26 -1.31 120.64 116.01 3mhf n GLU 83 Ca 0.08 0.21 0.09 0.00 -0.42 0.00 0.00 57.16 57.12 3mhf n GLU 83 Cb 0.41 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.83 3mhf n GLU 83 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3mhf n GLU 84 N -1.36 1.60 -3.82 3.49 1.02 -1.26 -4.91 120.64 115.39 3mhf n GLU 84 Ca 0.05 -1.41 -0.35 0.00 -0.02 0.00 0.00 57.16 55.43 3mhf n GLU 84 Cb 0.12 -1.35 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 3mhf n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mhf s ALA 85 N -1.69 3.61 0.85 0.62 0.00 -0.43 -4.82 121.76 119.90 3mhf s ALA 85 Ca 0.20 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 3mhf s ALA 85 Cb 0.15 -2.09 0.10 0.00 0.00 0.00 0.00 23.12 21.29 3mhf s ALA 85 CO 0.29 0.18 1.16 0.20 0.00 0.00 0.00 175.76 177.59 3mhf s GLY 86 N 0.32 1.59 -0.09 0.00 0.00 -0.76 -4.80 107.32 103.58 3mhf s GLY 86 Ca 0.07 -0.59 0.04 0.00 0.00 0.00 0.00 44.72 44.23 3mhf s GLY 86 CO -0.01 -0.08 -0.20 -2.27 0.00 0.00 0.00 173.10 170.54 3mhf s LEU 87 N -5.76 1.96 -0.04 0.66 2.96 -1.26 -1.36 118.68 115.83 3mhf s LEU 87 Ca 0.63 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 3mhf s LEU 87 Cb -0.13 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 3mhf s LEU 87 CO 0.51 0.13 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.82 3mhf s LEU 88 N 0.40 3.10 -0.06 -0.68 1.02 -0.36 0.36 118.68 122.46 3mhf s LEU 88 Ca -0.17 -0.09 0.05 0.00 0.02 0.00 0.00 54.13 53.94 3mhf s LEU 88 Cb -0.17 -1.70 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 3mhf s LEU 88 CO 0.07 0.34 -0.21 -0.76 0.02 0.00 0.00 176.35 175.80 3mhf s LEU 89 N -0.98 2.28 0.41 1.79 1.43 -0.95 -0.91 118.68 121.74 3mhf s LEU 89 Ca 0.14 -0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 3mhf s LEU 89 Cb -0.11 -1.44 -0.09 0.00 0.03 0.00 0.00 46.19 44.58 3mhf s LEU 89 CO 0.03 0.26 1.05 0.00 0.23 0.00 0.00 176.35 177.92 3mhf s ALA 90 N -0.23 3.06 -0.00 4.21 0.00 -0.41 -1.48 121.76 126.91 3mhf s ALA 90 Ca -0.01 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3mhf s ALA 90 Cb -0.13 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 3mhf s ALA 90 CO 0.03 -0.24 0.01 0.98 0.00 0.00 0.00 175.76 176.54 3mhf n TYR 91 N -0.17 0.00 -3.49 0.00 9.36 0.10 -4.36 117.16 118.60 3mhf n TYR 91 Ca 0.05 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.96 3mhf n TYR 91 Cb 0.50 -0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.15 3mhf n TYR 91 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3mhf s GLU 92 N -1.66 3.73 0.39 2.98 1.03 -1.26 -0.74 118.70 123.17 3mhf s GLU 92 Ca -0.00 0.14 -0.26 0.00 0.03 0.00 0.00 54.97 54.88 3mhf s GLU 92 Cb 0.00 -2.71 -0.09 0.00 -0.80 0.00 0.00 34.13 30.53 3mhf s GLU 92 CO 0.01 0.36 1.17 0.15 -1.33 0.00 0.00 175.26 175.62 3mhf s LYS 93 N -2.82 4.10 0.58 -4.83 1.02 -0.01 -4.63 119.74 113.16 3mhf s LYS 93 Ca 0.45 1.85 -0.13 0.00 0.02 0.00 0.00 55.97 58.16 3mhf s LYS 93 Cb -0.11 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 3mhf s LYS 93 CO 0.23 -0.28 1.02 0.95 -0.92 0.00 0.00 175.35 176.35 3mhf s THR 94 N -1.39 4.53 0.00 2.17 -4.23 -1.26 -4.85 115.64 110.62 3mhf s THR 94 Ca 0.56 0.99 0.00 0.00 -1.18 0.00 0.00 61.69 62.06 3mhf s THR 94 Cb -0.31 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 69.79 3mhf s THR 94 CO 0.39 -0.91 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 3mhf n GLY 95 N -2.12 -1.97 3.38 3.99 0.00 -1.26 -5.02 105.19 102.19 3mhf n GLY 95 Ca 0.07 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 3mhf n GLY 95 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mhf s TYR 96 N -0.08 -0.42 -0.48 1.61 -0.85 -1.26 -5.04 117.35 110.83 3mhf s TYR 96 Ca 0.00 0.18 -0.28 0.00 -0.52 0.00 0.00 57.07 56.46 3mhf s TYR 96 Cb 0.00 0.45 -0.01 0.00 0.38 0.00 0.00 41.96 42.78 3mhf s TYR 96 CO 0.00 -0.79 1.65 0.34 -1.52 0.00 0.00 175.55 175.22 3mhf s ASP 97 N -2.74 5.87 0.62 -0.18 -1.08 -1.26 -4.85 116.67 113.05 3mhf s ASP 97 Ca 0.01 0.70 0.36 0.00 -0.52 0.00 0.00 52.55 53.11 3mhf s ASP 97 Cb 0.00 -2.53 2.07 0.00 -1.46 0.00 0.00 42.92 40.99 3mhf s ASP 97 CO -0.12 -1.83 2.30 0.00 0.52 0.00 0.00 175.17 176.03 3mhf h ALA 98 N 12.56 1.29 -0.18 3.66 0.00 -2.04 -2.79 119.26 131.75 3mhf h ALA 98 Ca -0.29 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3mhf h ALA 98 Cb 1.14 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3mhf h ALA 98 CO 1.13 0.01 -0.30 1.79 0.00 0.00 0.00 179.25 181.87 3mhf h THR 99 N 0.00 1.34 -1.52 0.00 1.35 -2.07 -3.46 112.91 108.56 3mhf h THR 99 Ca -0.00 -1.53 -0.47 0.00 -0.55 0.00 0.00 66.41 63.86 3mhf h THR 99 Cb 0.02 1.89 0.05 0.00 -1.73 0.00 0.00 68.15 68.38 3mhf h THR 99 CO 0.00 0.47 -0.03 0.42 -0.25 0.00 0.00 175.52 176.12 3mhf s THR 100 N -4.11 2.28 -0.89 6.82 -4.23 -1.06 -5.05 115.64 109.41 3mhf s THR 100 Ca -0.13 -0.82 0.09 0.00 -1.18 0.00 0.00 61.69 59.65 3mhf s THR 100 Cb 0.06 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.45 3mhf s THR 100 CO 0.80 0.00 0.63 0.35 -0.54 0.00 0.00 174.62 175.86 3mhf n THR 101 N -2.43 0.00 0.07 3.99 -2.24 -1.26 -4.66 114.28 107.75 3mhf n THR 101 Ca 0.14 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 3mhf n THR 101 Cb 0.61 1.12 -0.12 0.00 -2.10 0.00 0.00 70.33 69.84 3mhf n THR 101 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3mhf h SER 102 N 1.15 0.05 -7.00 3.42 4.64 -1.97 -3.45 113.55 110.41 3mhf h SER 102 Ca 0.00 -0.06 -0.61 0.00 -0.47 0.00 0.00 61.79 60.66 3mhf h SER 102 Cb 0.32 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 3mhf h SER 102 CO 0.00 1.04 -1.00 0.54 -0.87 0.00 0.00 176.83 176.54 3mhf n ARG 103 N -3.37 -0.29 -2.43 4.77 1.74 -1.26 -4.86 116.66 110.95 3mhf n ARG 103 Ca -0.01 0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.72 3mhf n ARG 103 Cb 0.95 -2.55 -0.04 0.00 -1.02 0.00 0.00 32.46 29.80 3mhf n ARG 103 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mhf s LEU 104 N -7.48 4.54 0.50 0.55 1.43 -1.26 -4.54 118.68 112.41 3mhf s LEU 104 Ca 0.43 2.32 -0.20 0.00 -1.03 0.00 0.00 54.13 55.65 3mhf s LEU 104 Cb -0.24 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.27 3mhf s LEU 104 CO 0.97 -0.19 1.05 -2.16 0.23 0.00 0.00 176.35 176.26 3mhf s PRO 105 N -1.45 3.70 -0.22 1.29 0.04 -1.26 -5.03 135.00 132.07 3mhf s PRO 105 Ca 0.45 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.82 3mhf s PRO 105 Cb -0.33 -2.08 0.11 0.00 0.04 0.00 0.00 34.50 32.24 3mhf s PRO 105 CO 0.42 -0.52 0.44 0.34 0.04 0.00 0.00 177.00 177.72 3mhf s ASP 106 N -2.01 -0.27 0.51 6.66 2.15 -1.26 -5.09 116.67 117.35 3mhf s ASP 106 Ca 0.68 0.89 -0.21 0.00 0.43 0.00 0.00 52.55 54.33 3mhf s ASP 106 Cb -0.17 1.41 -0.06 0.00 -0.30 0.00 0.00 42.92 43.79 3mhf s ASP 106 CO 0.22 -0.24 1.17 0.00 -0.17 0.00 0.00 175.17 176.15 3mhf n LEU 108 N -0.90 1.82 -0.33 0.00 4.77 0.08 -4.66 117.00 117.78 3mhf n LEU 108 Ca 0.10 1.13 0.05 0.00 -0.03 0.00 0.00 56.01 57.25 3mhf n LEU 108 Cb 0.49 -1.24 0.20 0.00 -2.33 0.00 0.00 43.42 40.53 3mhf n LEU 108 CO 0.46 -1.07 1.19 0.44 -1.33 0.00 0.00 177.39 177.08 3mhf h ASP 109 N 4.02 0.81 -0.56 -1.43 3.32 -1.92 -2.50 116.42 118.16 3mhf h ASP 109 Ca -0.45 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.51 3mhf h ASP 109 Cb 1.33 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 3mhf h ASP 109 CO 0.74 0.45 0.13 1.33 -1.72 0.00 0.00 179.24 180.18 3mhf n VAL 110 N -4.67 2.72 -4.43 -1.35 0.24 -1.26 -4.97 118.33 104.61 3mhf n VAL 110 Ca 0.16 -1.82 -0.25 0.00 -2.04 0.00 0.00 64.34 60.40 3mhf n VAL 110 Cb 0.30 -0.32 -0.10 0.00 -1.47 0.00 0.00 33.84 32.25 3mhf n VAL 110 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3mhf s TRP 111 N -2.97 2.36 0.18 6.34 0.52 -0.94 -5.04 118.94 119.39 3mhf s TRP 111 Ca 0.51 -0.32 -0.11 0.00 0.02 0.00 0.00 56.10 56.21 3mhf s TRP 111 Cb 0.41 -1.06 -0.00 0.00 -1.15 0.00 0.00 33.47 31.67 3mhf s TRP 111 CO 0.11 0.65 0.34 -1.54 0.02 0.00 0.00 176.95 176.53 3mhf s SER 112 N -3.33 -0.02 0.27 2.95 1.04 -1.26 -4.85 113.70 108.50 3mhf s SER 112 Ca 0.28 -0.82 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 3mhf s SER 112 Cb -0.06 0.47 0.43 0.00 0.10 0.00 0.00 66.02 66.96 3mhf s SER 112 CO 0.15 -0.94 1.88 0.00 0.98 0.00 0.00 173.24 175.31 3mhf h ALA 113 N 2.47 1.42 -0.43 5.32 0.00 -1.96 -1.41 119.26 124.66 3mhf h ALA 113 Ca -0.31 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.65 3mhf h ALA 113 Cb 1.24 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 3mhf h ALA 113 CO 0.46 0.42 0.11 -0.22 0.00 0.00 0.00 179.25 180.02 3mhf h LYS 114 N 1.16 0.24 -0.25 0.00 3.64 -1.96 -1.23 116.57 118.16 3mhf h LYS 114 Ca 0.44 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.69 3mhf h LYS 114 Cb 0.20 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3mhf h LYS 114 CO -0.18 0.16 -0.31 0.00 -2.27 0.00 0.00 179.45 176.85 3mhf h ARG 115 N 0.25 0.52 -0.44 1.90 3.08 -1.77 0.27 114.38 118.20 3mhf h ARG 115 Ca 0.21 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3mhf h ARG 115 Cb 0.24 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3mhf h ARG 115 CO -0.25 0.78 0.27 0.82 -1.07 0.00 0.00 179.97 180.52 3mhf h ILE 116 N 0.45 1.14 -0.30 2.04 2.04 -0.93 0.11 117.51 122.06 3mhf h ILE 116 Ca 0.06 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3mhf h ILE 116 Cb 0.77 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3mhf h ILE 116 CO 0.06 0.14 0.18 0.50 0.00 0.00 0.00 178.15 179.03 3mhf h LYS 117 N 0.59 0.40 0.00 2.37 3.64 -0.97 -2.16 116.57 120.44 3mhf h LYS 117 Ca 0.16 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3mhf h LYS 117 Cb -0.01 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3mhf h LYS 117 CO -0.03 0.30 -0.05 0.93 -2.27 0.00 0.00 179.45 178.32 3mhf h GLU 118 N 0.39 0.00 0.00 1.90 5.08 -0.44 0.36 114.58 121.87 3mhf h GLU 118 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3mhf h GLU 118 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3mhf h GLU 118 CO -0.02 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 3mhf n ALA 119 N -2.28 2.48 -0.33 3.43 0.00 0.34 -4.88 120.51 119.28 3mhf n ALA 119 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3mhf n ALA 119 Cb 0.16 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3mhf n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mhf n GLY 120 N 0.85 0.83 3.78 0.00 0.00 0.12 -5.07 105.19 105.71 3mhf n GLY 120 Ca 0.18 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3mhf n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhf s ALA 121 N -2.00 2.85 -2.93 4.61 0.00 -1.06 -4.75 121.76 118.48 3mhf s ALA 121 Ca 0.00 0.78 0.24 0.00 0.00 0.00 0.00 51.96 52.98 3mhf s ALA 121 Cb 0.00 -3.33 0.24 0.00 0.00 0.00 0.00 23.12 20.03 3mhf s ALA 121 CO 0.00 -0.56 1.29 0.39 0.00 0.00 0.00 175.76 176.88 3mhf n GLU 122 N -0.88 2.25 -3.53 0.00 4.71 0.16 -4.68 120.64 118.66 3mhf n GLU 122 Ca 0.09 -1.83 -0.17 0.00 -0.01 0.00 0.00 57.16 55.24 3mhf n GLU 122 Cb 0.50 -1.46 -0.06 0.00 -1.01 0.00 0.00 31.44 29.41 3mhf n GLU 122 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mhf s ALA 123 N -2.02 -1.78 -0.24 0.62 0.00 -1.12 -3.98 121.76 113.24 3mhf s ALA 123 Ca 0.28 1.39 -0.15 0.00 0.00 0.00 0.00 51.96 53.49 3mhf s ALA 123 Cb 0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3mhf s ALA 123 CO 0.31 -0.36 0.37 0.08 0.00 0.00 0.00 175.76 176.16 3mhf s VAL 124 N -1.06 5.19 -0.12 0.00 1.01 -0.19 -2.25 120.40 122.99 3mhf s VAL 124 Ca -0.10 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 3mhf s VAL 124 Cb -0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3mhf s VAL 124 CO 0.09 0.20 -0.02 -0.75 0.00 0.00 0.00 175.10 174.62 3mhf s LYS 125 N 1.72 3.30 -0.02 2.72 2.36 -0.55 -0.42 119.74 128.85 3mhf s LYS 125 Ca 0.16 -0.46 0.01 0.00 -2.55 0.00 0.00 55.97 53.12 3mhf s LYS 125 Cb -0.15 -2.85 0.02 0.00 -1.05 0.00 0.00 37.83 33.80 3mhf s LYS 125 CO 0.09 0.48 -0.02 0.12 1.55 0.00 0.00 175.35 177.57 3mhf s PHE 126 N -0.28 0.39 -0.22 4.03 2.19 -0.38 -0.72 117.98 122.99 3mhf s PHE 126 Ca 0.06 -0.05 -0.12 0.00 0.33 0.00 0.00 56.93 57.15 3mhf s PHE 126 Cb -0.12 -0.40 -0.05 0.00 -1.31 0.00 0.00 43.02 41.13 3mhf s PHE 126 CO 0.02 -0.11 0.20 -1.17 1.83 0.00 0.00 175.22 176.00 3mhf s LEU 127 N 0.71 4.15 -0.11 6.12 2.96 -1.26 -0.28 118.68 130.97 3mhf s LEU 127 Ca -0.08 0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3mhf s LEU 127 Cb -0.11 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.40 3mhf s LEU 127 CO -0.01 0.07 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.67 3mhf s LEU 128 N 0.93 1.95 -0.09 -0.68 2.96 0.19 -4.91 118.68 119.03 3mhf s LEU 128 Ca 0.10 -0.51 -0.24 0.00 -0.22 0.00 0.00 54.13 53.26 3mhf s LEU 128 Cb -0.13 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 3mhf s LEU 128 CO 0.04 0.09 0.75 -0.31 -1.32 0.00 0.00 176.35 175.60 3mhf s TYR 129 N 0.67 3.53 -0.04 5.38 2.02 -1.26 -1.40 117.35 126.25 3mhf s TYR 129 Ca -0.12 1.27 0.01 0.00 -0.37 0.00 0.00 57.07 57.86 3mhf s TYR 129 Cb -0.16 -2.88 0.02 0.00 -0.40 0.00 0.00 41.96 38.54 3mhf s TYR 129 CO 0.03 -0.02 -0.03 -0.47 -1.57 0.00 0.00 175.55 173.48 3mhf s TYR 130 N 1.23 0.64 -0.44 2.71 5.04 -0.68 -4.94 117.35 120.90 3mhf s TYR 130 Ca 0.38 -0.15 0.01 0.00 -2.44 0.00 0.00 57.07 54.87 3mhf s TYR 130 Cb -0.18 -0.60 0.12 0.00 0.35 0.00 0.00 41.96 41.65 3mhf s TYR 130 CO 0.17 -0.17 0.20 0.34 -1.34 0.00 0.00 175.55 174.74 3mhf s ASP 131 N 0.94 4.89 0.51 4.32 2.15 -1.26 -2.96 116.67 125.25 3mhf s ASP 131 Ca -0.11 -2.41 0.30 0.00 0.43 0.00 0.00 52.55 50.76 3mhf s ASP 131 Cb -0.14 -1.72 1.41 0.00 -0.30 0.00 0.00 42.92 42.17 3mhf s ASP 131 CO -0.00 -0.39 1.85 -0.29 -0.17 0.00 0.00 175.17 176.16 3mhf h ILE 132 N 6.10 0.52 -0.52 4.11 6.09 -1.85 0.27 117.51 132.23 3mhf h ILE 132 Ca -0.07 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 3mhf h ILE 132 Cb 0.99 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.70 3mhf h ILE 132 CO 0.64 0.02 0.00 0.47 -3.07 0.00 0.00 178.15 176.20 3mhf n ASP 133 N -4.32 3.07 -2.18 2.19 10.43 -1.26 -4.96 116.55 119.53 3mhf n ASP 133 Ca 0.21 -1.97 -0.02 0.00 2.57 0.00 0.00 54.79 55.58 3mhf n ASP 133 Cb 1.00 -0.35 0.01 0.00 1.84 0.00 0.00 41.12 43.63 3mhf n ASP 133 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3mhf n GLY 134 N 1.42 -0.48 3.67 0.44 0.00 0.95 -4.96 105.19 106.23 3mhf n GLY 134 Ca 0.19 -1.78 -0.50 0.00 0.00 0.00 0.00 46.02 43.94 3mhf n GLY 134 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mhf n ASP 135 N -3.04 2.89 0.17 1.61 -0.08 -1.26 -4.88 116.55 111.95 3mhf n ASP 135 Ca 0.01 1.05 0.03 0.00 -1.51 0.00 0.00 54.79 54.37 3mhf n ASP 135 Cb 0.05 -1.32 0.41 0.00 2.34 0.00 0.00 41.12 42.60 3mhf n ASP 135 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 3mhf h GLN 136 N 7.10 0.11 -0.07 -0.67 4.20 -1.95 -1.22 115.11 122.61 3mhf h GLN 136 Ca -0.47 -0.03 -0.23 0.00 0.06 0.00 0.00 58.65 57.99 3mhf h GLN 136 Cb 1.28 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.06 3mhf h GLN 136 CO 0.90 0.32 -0.86 -0.44 -0.67 0.00 0.00 178.83 178.08 3mhf h ASP 137 N 0.10 0.76 -0.54 1.46 3.32 -1.99 -1.09 116.42 118.45 3mhf h ASP 137 Ca 0.02 -0.55 0.01 0.00 0.02 0.00 0.00 57.03 56.53 3mhf h ASP 137 Cb 0.44 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3mhf h ASP 137 CO 0.03 1.33 0.35 0.58 -1.72 0.00 0.00 179.24 179.81 3mhf h VAL 138 N 0.39 1.12 -0.09 -1.35 2.07 -1.86 -1.55 116.25 114.99 3mhf h VAL 138 Ca -0.07 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 3mhf h VAL 138 Cb 1.49 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3mhf h VAL 138 CO 0.16 0.13 -0.40 0.78 0.02 0.00 0.00 177.57 178.27 3mhf h ASN 139 N 0.70 0.19 -0.69 0.57 2.35 -1.14 -1.25 115.58 116.31 3mhf h ASN 139 Ca 0.20 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3mhf h ASN 139 Cb -0.06 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3mhf h ASN 139 CO -0.06 0.58 0.22 -0.08 -1.65 0.00 0.00 177.43 176.44 3mhf h GLU 140 N 0.16 1.07 -0.71 0.81 4.57 -0.86 0.33 114.58 119.94 3mhf h GLU 140 Ca 0.02 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 3mhf h GLU 140 Cb 0.78 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 3mhf h GLU 140 CO 0.06 0.92 0.23 0.37 -1.18 0.00 0.00 179.01 179.41 3mhf h GLN 141 N 1.00 1.10 -0.49 1.92 4.15 -0.74 -1.09 115.11 120.97 3mhf h GLN 141 Ca 0.22 -0.23 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 3mhf h GLN 141 Cb 0.29 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3mhf h GLN 141 CO -0.01 0.94 -0.03 0.87 -1.93 0.00 0.00 178.83 178.67 3mhf h LYS 142 N 1.05 0.88 -0.55 1.69 1.57 -0.82 -1.32 116.57 119.07 3mhf h LYS 142 Ca 0.23 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3mhf h LYS 142 Cb 0.29 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3mhf h LYS 142 CO -0.01 0.94 0.06 0.87 -0.57 0.00 0.00 179.45 180.73 3mhf h LYS 143 N 0.74 0.93 -0.78 3.15 1.57 -0.75 -1.29 116.57 120.14 3mhf h LYS 143 Ca 0.13 -0.27 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3mhf h LYS 143 Cb 0.56 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 3mhf h LYS 143 CO 0.03 0.91 0.49 0.00 -0.57 0.00 0.00 179.45 180.32 3mhf h ALA 144 N 0.98 1.03 -0.55 3.86 0.00 -1.08 -1.41 119.26 122.10 3mhf h ALA 144 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3mhf h ALA 144 Cb 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3mhf h ALA 144 CO 0.02 0.29 0.11 -0.92 0.00 0.00 0.00 179.25 178.74 3mhf h TYR 145 N 0.95 0.95 -0.19 0.00 3.20 -0.60 -2.41 116.97 118.87 3mhf h TYR 145 Ca 0.32 -0.12 -0.14 0.00 3.14 0.00 0.00 58.73 61.93 3mhf h TYR 145 Cb 0.04 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3mhf h TYR 145 CO -0.03 0.83 -0.46 0.82 -1.64 0.00 0.00 178.16 177.68 3mhf h ILE 146 N 0.79 1.32 -0.57 1.81 1.08 -1.02 -2.64 117.51 118.27 3mhf h ILE 146 Ca 0.17 -1.66 0.07 0.00 -0.39 0.00 0.00 64.86 63.05 3mhf h ILE 146 Cb 0.38 1.68 -0.06 0.00 -3.07 0.00 0.00 36.82 35.75 3mhf h ILE 146 CO 0.01 0.51 0.25 -0.33 -0.69 0.00 0.00 178.15 177.90 3mhf h GLU 147 N 0.38 0.44 -0.02 2.37 5.08 -0.98 0.66 114.58 122.52 3mhf h GLU 147 Ca 0.02 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3mhf h GLU 147 Cb 0.96 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3mhf h GLU 147 CO 0.08 0.29 -0.04 0.00 -1.00 0.00 0.00 179.01 178.34 3mhf h ARG 148 N 0.46 -0.07 -0.53 2.33 3.08 -1.10 0.30 114.38 118.84 3mhf h ARG 148 Ca 0.27 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 3mhf h ARG 148 Cb 0.28 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3mhf h ARG 148 CO -0.24 -0.05 0.22 0.82 -1.07 0.00 0.00 179.97 179.65 3mhf h ILE 149 N -0.07 1.22 -0.70 2.04 2.04 -1.20 0.92 117.51 121.74 3mhf h ILE 149 Ca 0.02 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.28 3mhf h ILE 149 Cb 0.11 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 3mhf h ILE 149 CO -0.06 0.25 0.41 1.23 0.00 0.00 0.00 178.15 179.98 3mhf h GLY 150 N 0.72 1.04 0.92 5.37 0.00 -0.70 -0.08 103.07 110.34 3mhf h GLY 150 Ca 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3mhf h GLY 150 CO -0.02 0.19 0.11 1.76 0.00 0.00 0.00 176.54 178.58 3mhf h SER 151 N 0.75 0.53 -0.36 0.19 0.02 -0.36 -2.13 113.55 112.19 3mhf h SER 151 Ca 0.31 -0.21 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3mhf h SER 151 Cb 0.17 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 3mhf h SER 151 CO -0.17 0.60 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.74 3mhf h GLU 152 N 0.43 0.05 -0.30 3.45 5.08 -0.25 -1.18 114.58 121.86 3mhf h GLU 152 Ca 0.12 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 3mhf h GLU 152 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3mhf h GLU 152 CO -0.00 0.03 -0.21 0.00 -1.00 0.00 0.00 179.01 177.84 3mhf h ARG 154 N 0.51 0.67 -0.42 0.00 2.43 -0.94 0.22 114.38 116.84 3mhf h ARG 154 Ca 0.08 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3mhf h ARG 154 Cb 0.64 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3mhf h ARG 154 CO 0.05 0.51 0.05 0.00 -1.51 0.00 0.00 179.97 179.06 3mhf h ALA 155 N 1.12 0.56 0.00 2.80 0.00 -0.58 -2.53 119.26 120.62 3mhf h ALA 155 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mhf h ALA 155 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3mhf h ALA 155 CO -0.03 0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.91 3mhf n GLU 156 N -4.48 0.17 -3.29 0.00 -0.58 -0.05 -4.93 120.64 107.48 3mhf n GLU 156 Ca -0.00 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.58 3mhf n GLU 156 Cb 0.26 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.71 3mhf n GLU 156 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3mhf n ASP 157 N -1.42 -2.36 -4.03 1.62 2.03 0.64 -5.02 116.55 108.02 3mhf n ASP 157 Ca 0.10 -0.55 -0.21 0.00 0.52 0.00 0.00 54.79 54.65 3mhf n ASP 157 Cb 0.30 -4.62 -0.15 0.00 -0.72 0.00 0.00 41.12 35.92 3mhf n ASP 157 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3mhf s ILE 158 N -3.32 0.89 0.39 5.18 2.07 -0.45 -4.31 121.20 121.64 3mhf s ILE 158 Ca 0.04 -0.43 -0.27 0.00 -1.41 0.00 0.00 60.65 58.59 3mhf s ILE 158 Cb -0.02 -0.78 -0.11 0.00 0.13 0.00 0.00 42.46 41.68 3mhf s ILE 158 CO 0.65 0.27 1.41 -2.65 -1.91 0.00 0.00 174.94 172.71 3mhf n PRO 159 N 3.22 2.40 -3.73 3.50 -0.02 -1.26 -4.56 135.00 134.56 3mhf n PRO 159 Ca -0.18 0.85 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 3mhf n PRO 159 Cb 0.54 -2.56 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 3mhf n PRO 159 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3mhf s PHE 160 N -1.14 3.23 -0.39 6.00 5.36 -1.26 -1.02 117.98 128.76 3mhf s PHE 160 Ca 0.56 -1.25 -0.14 0.00 -0.96 0.00 0.00 56.93 55.14 3mhf s PHE 160 Cb -0.49 -2.29 0.02 0.00 -0.34 0.00 0.00 43.02 39.91 3mhf s PHE 160 CO 0.62 -0.68 0.27 0.71 -1.46 0.00 0.00 175.22 174.68 3mhf s TYR 161 N 1.45 3.24 -0.30 10.12 1.51 0.44 -0.97 117.35 132.83 3mhf s TYR 161 Ca -0.00 -0.60 -0.12 0.00 -1.01 0.00 0.00 57.07 55.33 3mhf s TYR 161 Cb -0.19 -2.54 -0.03 0.00 -0.11 0.00 0.00 41.96 39.08 3mhf s TYR 161 CO 0.03 -0.56 0.24 -1.17 -1.11 0.00 0.00 175.55 172.97 3mhf s LEU 162 N 1.66 4.22 -0.11 -1.29 2.96 -0.46 -1.25 118.68 124.41 3mhf s LEU 162 Ca 0.05 -0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 53.63 3mhf s LEU 162 Cb -0.19 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 3mhf s LEU 162 CO 0.09 -0.15 0.49 -0.70 -1.32 0.00 0.00 176.35 174.77 3mhf s GLU 163 N 1.80 4.33 -0.19 1.98 2.12 0.61 -0.75 118.70 128.61 3mhf s GLU 163 Ca 0.08 0.49 -0.02 0.00 0.36 0.00 0.00 54.97 55.88 3mhf s GLU 163 Cb -0.16 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 3mhf s GLU 163 CO 0.11 0.18 -0.09 0.42 -0.54 0.00 0.00 175.26 175.34 3mhf s ILE 164 N 0.54 3.15 -0.22 -3.70 1.01 -0.26 -0.63 121.20 121.09 3mhf s ILE 164 Ca 0.27 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 3mhf s ILE 164 Cb -0.15 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 3mhf s ILE 164 CO 0.11 0.47 -0.01 -0.76 0.00 0.00 0.00 174.94 174.75 3mhf s LEU 165 N 1.07 3.08 0.47 2.97 1.43 -0.49 -4.20 118.68 123.01 3mhf s LEU 165 Ca 0.00 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 3mhf s LEU 165 Cb -0.15 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3mhf s LEU 165 CO -0.01 -0.00 0.79 0.42 0.23 0.00 0.00 176.35 177.77 3mhf s THR 166 N 1.38 4.88 0.32 5.49 -4.23 -1.26 -1.69 115.64 120.53 3mhf s THR 166 Ca 0.05 0.31 -0.19 0.00 -1.18 0.00 0.00 61.69 60.67 3mhf s THR 166 Cb -0.14 -3.84 0.04 0.00 1.34 0.00 0.00 72.50 69.90 3mhf s THR 166 CO -0.00 -0.79 0.78 -0.72 -0.54 0.00 0.00 174.62 173.35 3mhf s TYR 167 N -2.67 -0.02 -0.10 3.99 -0.85 -1.16 -4.88 117.35 111.66 3mhf s TYR 167 Ca 0.48 -0.54 0.02 0.00 -0.52 0.00 0.00 57.07 56.52 3mhf s TYR 167 Cb -0.10 0.77 0.01 0.00 0.38 0.00 0.00 41.96 43.02 3mhf s TYR 167 CO 0.42 -1.37 -0.17 0.34 -1.52 0.00 0.00 175.55 173.25 3mhf s ASP 168 N -3.02 2.54 0.50 -0.18 -1.08 -1.26 -4.28 116.67 109.88 3mhf s ASP 168 Ca 0.14 -0.45 0.31 0.00 -0.52 0.00 0.00 52.55 52.03 3mhf s ASP 168 Cb -0.05 -1.15 1.42 0.00 -1.46 0.00 0.00 42.92 41.68 3mhf s ASP 168 CO 0.09 0.06 1.78 -0.33 0.52 0.00 0.00 175.17 177.29 3mhf h GLU 169 N 7.16 0.11 -0.01 4.34 5.08 -1.95 -2.12 114.58 127.18 3mhf h GLU 169 Ca -0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3mhf h GLU 169 Cb 1.19 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3mhf h GLU 169 CO 0.49 0.07 -0.26 1.63 -1.00 0.00 0.00 179.01 179.95 3mhf n LYS 170 N -4.33 1.59 -3.96 2.33 5.02 -1.26 -4.88 118.16 112.67 3mhf n LYS 170 Ca 0.26 -1.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.20 3mhf n LYS 170 Cb 1.16 -1.30 -0.14 0.00 -0.02 0.00 0.00 35.03 34.73 3mhf n LYS 170 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mhf s ILE 171 N -1.82 2.91 0.12 -0.18 1.01 -0.80 -5.01 121.20 117.44 3mhf s ILE 171 Ca 0.15 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 3mhf s ILE 171 Cb 0.14 -2.41 -0.11 0.00 0.01 0.00 0.00 42.46 40.09 3mhf s ILE 171 CO 0.37 0.29 1.38 0.00 0.00 0.00 0.00 174.94 176.98 3mhf h ALA 172 N 8.03 0.43 -2.90 9.38 0.00 -1.90 -3.40 119.26 128.90 3mhf h ALA 172 Ca -0.36 -0.54 -0.71 0.00 0.00 0.00 0.00 54.91 53.29 3mhf h ALA 172 Cb 1.12 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.60 3mhf h ALA 172 CO 0.59 0.68 -0.53 0.34 0.00 0.00 0.00 179.25 180.33 3mhf s ASP 173 N -7.00 5.62 0.00 0.00 2.15 -1.26 -4.94 116.67 111.23 3mhf s ASP 173 Ca -0.10 -1.08 0.15 0.00 0.43 0.00 0.00 52.55 51.94 3mhf s ASP 173 Cb 0.10 -1.98 0.66 0.00 -0.30 0.00 0.00 42.92 41.40 3mhf s ASP 173 CO 0.89 -0.39 1.48 -0.46 -0.17 0.00 0.00 175.17 176.52 3mhf n ASN 174 N 4.94 0.00 -0.87 -0.34 6.94 -1.26 -1.97 115.26 122.70 3mhf n ASN 174 Ca -0.12 0.44 0.12 0.00 -0.02 0.00 0.00 54.58 55.00 3mhf n ASN 174 Cb 0.45 -0.47 0.23 0.00 -2.36 0.00 0.00 39.78 37.63 3mhf n ASN 174 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mhf n ALA 175 N -1.47 2.48 -1.72 -2.53 0.00 -1.26 -4.61 120.51 111.39 3mhf n ALA 175 Ca 0.04 -0.69 -0.32 0.00 0.00 0.00 0.00 53.44 52.47 3mhf n ALA 175 Cb 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3mhf n ALA 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mhf s SER 176 N -1.86 6.00 0.34 0.00 1.04 -0.83 -4.89 113.70 113.50 3mhf s SER 176 Ca 0.32 1.67 0.04 0.00 0.48 0.00 0.00 55.95 58.47 3mhf s SER 176 Cb 0.21 -2.51 0.68 0.00 0.10 0.00 0.00 66.02 64.49 3mhf s SER 176 CO 0.31 -1.01 1.95 -0.65 0.98 0.00 0.00 173.24 174.81 3mhf h PRO 177 N 0.30 0.81 -0.26 4.02 0.11 -1.93 -0.85 132.00 134.20 3mhf h PRO 177 Ca -0.46 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3mhf h PRO 177 Cb 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3mhf h PRO 177 CO 0.59 0.54 0.16 1.49 -0.21 0.00 0.00 178.00 180.57 3mhf h GLU 178 N 0.84 0.32 -0.34 1.05 4.81 -1.92 -2.32 114.58 117.02 3mhf h GLU 178 Ca 0.33 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.38 3mhf h GLU 178 Cb 0.23 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3mhf h GLU 178 CO -0.11 0.21 -0.43 0.35 -0.73 0.00 0.00 179.01 178.30 3mhf h PHE 179 N 0.33 1.03 -1.04 0.92 3.57 -1.73 -2.86 116.94 117.16 3mhf h PHE 179 Ca 0.10 -0.32 0.26 0.00 3.53 0.00 0.00 57.97 61.54 3mhf h PHE 179 Cb -0.02 -0.21 -0.09 0.00 2.79 0.00 0.00 35.95 38.42 3mhf h PHE 179 CO -0.07 1.13 0.67 0.00 -2.23 0.00 0.00 178.31 177.81 3mhf h ALA 180 N 0.82 2.28 0.00 2.41 0.00 -0.81 0.82 119.26 124.77 3mhf h ALA 180 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3mhf h ALA 180 Cb 1.01 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3mhf h ALA 180 CO 0.10 -0.67 0.00 0.87 0.00 0.00 0.00 179.25 179.55 3mhf h LYS 181 N 0.37 0.00 -0.00 0.00 1.57 -1.18 -3.14 116.57 114.19 3mhf h LYS 181 Ca 0.58 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 3mhf h LYS 181 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.83 3mhf h LYS 181 CO -0.27 0.00 -0.26 1.33 -0.57 0.00 0.00 179.45 179.68 3mhf n VAL 182 N -2.91 0.00 -0.18 0.50 0.24 -0.06 -4.75 118.33 111.16 3mhf n VAL 182 Ca 0.02 -0.37 -0.01 0.00 -2.04 0.00 0.00 64.34 61.95 3mhf n VAL 182 Cb 0.38 1.07 0.08 0.00 -1.47 0.00 0.00 33.84 33.90 3mhf n VAL 182 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3mhf h LYS 183 N 0.67 0.11 -0.61 7.34 3.64 -0.88 -1.24 116.57 125.60 3mhf h LYS 183 Ca 0.00 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3mhf h LYS 183 Cb 0.27 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 3mhf h LYS 183 CO 0.00 0.07 0.26 0.00 -2.27 0.00 0.00 179.45 177.51 3mhf h ALA 184 N 1.51 0.80 0.16 5.00 0.00 -1.67 0.56 119.26 125.61 3mhf h ALA 184 Ca 0.29 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3mhf h ALA 184 Cb 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3mhf h ALA 184 CO -0.48 -0.14 -0.17 1.25 0.00 0.00 0.00 179.25 179.71 3mhf h HIS 185 N 0.47 -0.44 -0.21 0.00 -0.00 -1.58 -0.31 115.15 113.08 3mhf h HIS 185 Ca 0.30 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.71 3mhf h HIS 185 Cb 0.33 0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.88 3mhf h HIS 185 CO -0.14 -0.25 -0.03 0.87 -0.00 0.00 0.00 177.93 178.38 3mhf h LYS 186 N -0.36 0.03 0.11 5.26 1.79 -0.73 -1.66 116.57 121.00 3mhf h LYS 186 Ca 0.01 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3mhf h LYS 186 Cb 0.35 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 3mhf h LYS 186 CO -0.05 0.02 -0.05 0.28 -1.08 0.00 0.00 179.45 178.57 3mhf h VAL 187 N 0.03 1.11 -0.38 0.50 2.07 -0.84 -2.77 116.25 115.97 3mhf h VAL 187 Ca 0.10 -1.04 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 3mhf h VAL 187 Cb 0.14 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3mhf h VAL 187 CO -0.19 0.24 -0.31 0.78 0.02 0.00 0.00 177.57 178.12 3mhf h ASN 188 N -0.65 0.86 -0.32 0.57 2.35 -1.07 -2.30 115.58 115.02 3mhf h ASN 188 Ca -0.01 -0.35 -0.13 0.00 -0.55 0.00 0.00 56.30 55.25 3mhf h ASN 188 Cb 0.51 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3mhf h ASN 188 CO 0.02 1.10 -0.28 -0.33 -1.65 0.00 0.00 177.43 176.29 3mhf h GLU 189 N 0.69 0.83 -0.92 0.81 4.39 -1.41 -2.14 114.58 116.83 3mhf h GLU 189 Ca 0.08 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 3mhf h GLU 189 Cb 0.86 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.44 3mhf h GLU 189 CO 0.07 1.00 0.52 0.00 -1.16 0.00 0.00 179.01 179.44 3mhf h ALA 190 N 0.98 1.17 -0.60 3.43 0.00 -1.42 -1.95 119.26 120.87 3mhf h ALA 190 Ca 0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3mhf h ALA 190 Cb 0.82 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3mhf h ALA 190 CO 0.07 0.67 0.15 0.52 0.00 0.00 0.00 179.25 180.66 3mhf h MET 191 N 1.28 0.94 -0.51 0.00 2.86 -1.19 -2.05 114.93 116.25 3mhf h MET 191 Ca 0.32 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3mhf h MET 191 Cb 0.01 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3mhf h MET 191 CO -0.05 0.83 0.21 0.87 1.06 0.00 0.00 176.91 179.83 3mhf h LYS 192 N 0.90 0.77 0.51 1.72 1.57 -0.95 -1.79 116.57 119.30 3mhf h LYS 192 Ca 0.19 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3mhf h LYS 192 Cb 0.32 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3mhf h LYS 192 CO -0.00 0.67 -0.36 0.28 -0.57 0.00 0.00 179.45 179.47 3mhf h VAL 193 N 0.69 0.27 -0.15 0.50 2.07 -1.03 -3.10 116.25 115.50 3mhf h VAL 193 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3mhf h VAL 193 Cb 0.19 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3mhf h VAL 193 CO -0.02 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.06 3mhf n PHE 194 N -5.48 0.19 0.73 1.57 3.72 -0.80 -2.16 117.46 115.23 3mhf n PHE 194 Ca -0.12 -0.10 0.12 0.00 -0.05 0.00 0.00 57.45 57.31 3mhf n PHE 194 Cb 0.38 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.11 3mhf n PHE 194 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3mhf n SER 195 N -0.06 0.60 -4.76 4.37 7.64 -0.68 -4.64 113.62 116.09 3mhf n SER 195 Ca 0.10 -0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.52 3mhf n SER 195 Cb 0.18 0.25 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 3mhf n SER 195 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3mhf s LYS 196 N -3.11 4.11 0.51 1.43 1.02 -0.92 -4.43 119.74 118.35 3mhf s LYS 196 Ca 0.08 2.59 0.26 0.00 0.02 0.00 0.00 55.97 58.92 3mhf s LYS 196 Cb 0.15 -3.00 1.36 0.00 -0.52 0.00 0.00 37.83 35.82 3mhf s LYS 196 CO 0.72 -0.61 1.93 1.49 -0.92 0.00 0.00 175.35 177.96 3mhf h GLU 197 N 4.08 0.09 0.00 1.68 4.81 -1.91 -2.19 114.58 121.14 3mhf h GLU 197 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3mhf h GLU 197 Cb 1.23 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3mhf h GLU 197 CO 0.73 0.06 0.00 0.07 -0.73 0.00 0.00 179.01 179.14 3mhf h ARG 198 N 0.09 0.00 0.00 1.92 0.11 -1.96 -2.05 114.38 112.50 3mhf h ARG 198 Ca 0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.44 3mhf h ARG 198 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 3mhf h ARG 198 CO -0.04 0.00 -0.52 1.19 0.10 0.00 0.00 179.97 180.70 3mhf n PHE 199 N -2.57 0.06 -2.22 4.08 3.72 -0.82 -4.69 117.46 115.03 3mhf n PHE 199 Ca -0.01 0.02 -0.21 0.00 -0.05 0.00 0.00 57.45 57.21 3mhf n PHE 199 Cb 0.14 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 3mhf n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mhf n GLY 200 N 1.48 0.05 3.74 1.37 0.00 -0.77 -4.04 105.19 107.02 3mhf n GLY 200 Ca 0.05 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3mhf n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mhf s VAL 201 N -2.98 4.02 -0.26 1.61 1.01 -1.26 -4.67 120.40 117.87 3mhf s VAL 201 Ca 0.00 1.83 -0.05 0.00 0.00 0.00 0.00 61.98 63.76 3mhf s VAL 201 Cb 0.00 -4.17 -0.16 0.00 0.00 0.00 0.00 36.38 32.06 3mhf s VAL 201 CO 0.00 0.35 -0.24 0.47 0.00 0.00 0.00 175.10 175.68 3mhf n ASP 202 N 2.09 1.98 -3.96 3.32 8.00 -0.15 -4.76 116.55 123.06 3mhf n ASP 202 Ca 0.01 0.07 -0.18 0.00 0.71 0.00 0.00 54.79 55.40 3mhf n ASP 202 Cb 0.47 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.82 3mhf n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mhf s VAL 203 N -2.51 0.55 -0.22 2.53 1.01 -1.02 -4.15 120.40 116.58 3mhf s VAL 203 Ca -0.36 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 3mhf s VAL 203 Cb 0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 3mhf s VAL 203 CO 0.57 0.18 0.12 -0.76 0.00 0.00 0.00 175.10 175.21 3mhf s LEU 204 N 0.16 4.01 -0.36 3.92 1.43 -0.82 -1.36 118.68 125.66 3mhf s LEU 204 Ca -0.02 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.06 3mhf s LEU 204 Cb -0.06 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.11 3mhf s LEU 204 CO -0.00 0.11 0.23 -0.75 0.23 0.00 0.00 176.35 176.16 3mhf s LYS 205 N 0.80 3.13 0.17 1.70 2.20 0.07 -1.08 119.74 126.73 3mhf s LYS 205 Ca 0.06 -0.89 0.04 0.00 -0.36 0.00 0.00 55.97 54.82 3mhf s LYS 205 Cb -0.13 -3.78 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 3mhf s LYS 205 CO 0.02 -0.59 -0.05 0.14 -0.36 0.00 0.00 175.35 174.50 3mhf s VAL 206 N 1.64 1.01 0.68 4.02 -7.23 -0.14 -1.10 120.40 119.27 3mhf s VAL 206 Ca 0.04 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 3mhf s VAL 206 Cb -0.18 -2.02 -0.00 0.00 0.56 0.00 0.00 36.38 34.73 3mhf s VAL 206 CO 0.08 -0.59 1.05 -1.61 -0.31 0.00 0.00 175.10 173.73 3mhf s GLU 207 N -3.82 3.08 0.44 4.82 2.02 -1.26 -1.52 118.70 122.47 3mhf s GLU 207 Ca 0.21 0.93 -0.25 0.00 0.02 0.00 0.00 54.97 55.88 3mhf s GLU 207 Cb 0.04 -2.01 -0.08 0.00 0.10 0.00 0.00 34.13 32.18 3mhf s GLU 207 CO 0.03 -0.98 1.26 0.14 0.02 0.00 0.00 175.26 175.73 3mhf s VAL 208 N -3.03 2.72 -2.00 2.63 -7.23 -1.26 -4.89 120.40 107.34 3mhf s VAL 208 Ca 0.58 0.60 0.04 0.00 -1.81 0.00 0.00 61.98 61.39 3mhf s VAL 208 Cb -0.14 -3.34 0.10 0.00 0.56 0.00 0.00 36.38 33.57 3mhf s VAL 208 CO 0.54 0.05 0.98 -0.81 -0.31 0.00 0.00 175.10 175.55 3mhf n PRO 209 N -0.17 0.83 -3.96 4.82 -0.04 -1.26 -4.74 135.00 130.48 3mhf n PRO 209 Ca 0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.42 3mhf n PRO 209 Cb 0.45 -1.07 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 3mhf n PRO 209 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3mhf s VAL 210 N -2.00 0.12 -0.62 0.52 -7.23 -1.26 -2.15 120.40 107.78 3mhf s VAL 210 Ca 0.05 -1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.99 3mhf s VAL 210 Cb 0.02 -0.57 0.06 0.00 0.56 0.00 0.00 36.38 36.46 3mhf s VAL 210 CO 0.04 -0.56 0.92 0.21 -0.31 0.00 0.00 175.10 175.41 3mhf s ASN 211 N -1.75 6.21 0.61 4.85 3.84 -1.26 -4.90 114.94 122.55 3mhf s ASN 211 Ca -0.11 -0.85 0.37 0.00 0.21 0.00 0.00 52.86 52.48 3mhf s ASN 211 Cb -0.06 -2.41 1.99 0.00 -0.55 0.00 0.00 41.25 40.22 3mhf s ASN 211 CO -0.02 -1.34 2.24 0.24 -2.79 0.00 0.00 177.10 175.43 3mhf h MET 212 N 9.45 0.00 0.00 0.43 2.86 -1.97 -1.82 114.93 123.88 3mhf h MET 212 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3mhf h MET 212 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3mhf h MET 212 CO 1.14 0.02 0.00 1.63 1.06 0.00 0.00 176.91 180.76 3mhf n LYS 213 N -3.33 0.30 -0.04 1.72 5.02 -1.26 -1.41 118.16 119.15 3mhf n LYS 213 Ca -0.02 0.09 0.06 0.00 -2.02 0.00 0.00 58.31 56.42 3mhf n LYS 213 Cb 0.14 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.73 3mhf n LYS 213 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3mhf n PHE 214 N -1.17 0.00 -3.75 2.13 3.01 -0.68 -4.25 117.46 112.74 3mhf n PHE 214 Ca 0.08 -0.80 -0.35 0.00 1.01 0.00 0.00 57.45 57.39 3mhf n PHE 214 Cb 0.09 -0.11 -0.08 0.00 -0.01 0.00 0.00 39.48 39.37 3mhf n PHE 214 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3mhf s VAL 215 N -2.11 5.43 -0.46 -4.37 1.01 -0.50 -1.05 120.40 118.34 3mhf s VAL 215 Ca 0.19 0.20 -0.46 0.00 0.00 0.00 0.00 61.98 61.92 3mhf s VAL 215 Cb 0.17 -3.46 -0.19 0.00 0.00 0.00 0.00 36.38 32.90 3mhf s VAL 215 CO 0.02 0.47 1.66 1.21 0.00 0.00 0.00 175.10 178.46 3mhf n GLU 216 N 3.23 0.21 0.00 2.72 2.13 -0.10 -0.01 120.64 128.82 3mhf n GLU 216 Ca -0.17 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.73 3mhf n GLU 216 Cb 0.53 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.62 3mhf n GLU 216 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mhf n GLY 217 N 4.26 2.99 0.00 8.31 0.00 -1.26 -4.48 105.19 115.01 3mhf n GLY 217 Ca 0.32 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.41 3mhf n GLY 217 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mhf n PHE 218 N -0.05 0.00 -3.27 1.61 3.01 0.99 -4.98 117.46 114.76 3mhf n PHE 218 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 3mhf n PHE 218 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 3mhf n PHE 218 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3mhf s ALA 219 N -2.41 3.51 -0.08 4.37 0.00 -0.32 -4.65 121.76 122.18 3mhf s ALA 219 Ca 0.06 -0.32 0.21 0.00 0.00 0.00 0.00 51.96 51.91 3mhf s ALA 219 Cb 0.11 -2.75 0.55 0.00 0.00 0.00 0.00 23.12 21.04 3mhf s ALA 219 CO 0.61 -0.26 1.67 -0.44 0.00 0.00 0.00 175.76 177.34 3mhf h ASP 220 N 7.17 0.00 0.00 0.00 3.32 -1.92 -3.47 116.42 121.52 3mhf h ASP 220 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3mhf h ASP 220 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3mhf h ASP 220 CO 0.75 0.26 0.00 0.61 -1.72 0.00 0.00 179.24 179.13 3mhf n GLY 221 N 0.69 4.04 3.59 2.75 0.00 -1.26 -5.11 105.19 109.89 3mhf n GLY 221 Ca 0.02 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 3mhf n GLY 221 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3mhf n GLU 222 N 0.00 1.27 -4.09 1.61 2.13 -1.26 -4.99 120.64 115.31 3mhf n GLU 222 Ca 0.00 0.46 -0.34 0.00 0.66 0.00 0.00 57.16 57.93 3mhf n GLU 222 Cb 0.00 -1.98 -0.14 0.00 0.27 0.00 0.00 31.44 29.59 3mhf n GLU 222 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3mhf s VAL 223 N -1.28 3.27 -0.16 6.31 1.01 -1.26 -4.63 120.40 123.66 3mhf s VAL 223 Ca 0.63 -0.54 0.17 0.00 0.00 0.00 0.00 61.98 62.24 3mhf s VAL 223 Cb -0.57 -2.46 -0.24 0.00 0.00 0.00 0.00 36.38 33.10 3mhf s VAL 223 CO 0.57 0.45 0.12 0.18 0.00 0.00 0.00 175.10 176.42 3mhf n LEU 224 N 4.50 0.00 -4.05 3.92 4.77 -0.22 -5.02 117.00 120.90 3mhf n LEU 224 Ca -0.18 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.64 3mhf n LEU 224 Cb 0.51 0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 41.87 3mhf n LEU 224 CO 0.29 0.40 -0.42 -0.36 -1.33 0.00 0.00 177.39 175.97 3mhf s PHE 225 N -2.59 0.76 0.65 -1.77 0.08 -0.89 -5.06 117.98 109.15 3mhf s PHE 225 Ca -0.09 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 3mhf s PHE 225 Cb 0.07 -0.46 -0.02 0.00 -0.57 0.00 0.00 43.02 42.04 3mhf s PHE 225 CO 0.78 -0.03 1.04 0.95 -0.10 0.00 0.00 175.22 177.86 3mhf s THR 226 N -0.84 4.20 0.32 0.64 -4.23 -1.26 -0.93 115.64 113.53 3mhf s THR 226 Ca -0.03 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 61.17 3mhf s THR 226 Cb -0.07 -3.70 0.29 0.00 1.34 0.00 0.00 72.50 70.36 3mhf s THR 226 CO 0.00 -0.91 1.89 0.11 -0.54 0.00 0.00 174.62 175.18 3mhf h LYS 227 N -0.42 0.89 -0.54 3.99 1.57 -1.95 -1.09 116.57 119.02 3mhf h LYS 227 Ca -0.45 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.24 3mhf h LYS 227 Cb 1.22 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 3mhf h LYS 227 CO 0.63 0.59 0.17 1.49 -0.57 0.00 0.00 179.45 181.76 3mhf h GLU 228 N 0.92 0.83 -0.61 3.15 4.57 -1.97 -0.00 114.58 121.47 3mhf h GLU 228 Ca 0.42 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.35 3mhf h GLU 228 Cb 0.39 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3mhf h GLU 228 CO -0.18 0.76 0.11 0.93 -1.18 0.00 0.00 179.01 179.45 3mhf h GLU 229 N 0.74 1.01 -0.68 1.92 5.08 -1.77 -1.72 114.58 119.16 3mhf h GLU 229 Ca 0.17 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 3mhf h GLU 229 Cb 0.27 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3mhf h GLU 229 CO -0.01 0.94 0.26 0.00 -1.00 0.00 0.00 179.01 179.21 3mhf h ALA 230 N 1.03 0.88 -0.68 3.43 0.00 -0.94 -2.84 119.26 120.14 3mhf h ALA 230 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mhf h ALA 230 Cb 0.41 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3mhf h ALA 230 CO 0.01 0.51 0.44 0.00 0.00 0.00 0.00 179.25 180.21 3mhf h ALA 231 N 1.12 0.87 -0.47 0.00 0.00 -0.71 -2.48 119.26 117.57 3mhf h ALA 231 Ca 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3mhf h ALA 231 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3mhf h ALA 231 CO -0.02 0.30 0.16 0.37 0.00 0.00 0.00 179.25 180.07 3mhf h GLN 232 N 0.92 0.69 -0.41 0.00 5.75 -1.12 -1.53 115.11 119.41 3mhf h GLN 232 Ca 0.25 -0.11 -0.04 0.00 -0.15 0.00 0.00 58.65 58.60 3mhf h GLN 232 Cb -0.09 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 3mhf h GLN 232 CO -0.05 0.59 0.08 0.00 -2.65 0.00 0.00 178.83 176.80 3mhf h ALA 233 N 1.50 1.38 -0.37 3.38 0.00 -1.22 0.68 119.26 124.61 3mhf h ALA 233 Ca 0.16 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3mhf h ALA 233 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3mhf h ALA 233 CO -0.01 0.44 -0.35 0.74 0.00 0.00 0.00 179.25 180.07 3mhf h PHE 234 N 0.60 1.06 -0.30 0.00 0.04 -1.09 -0.65 116.94 116.60 3mhf h PHE 234 Ca 0.14 -0.31 -0.11 0.00 2.80 0.00 0.00 57.97 60.48 3mhf h PHE 234 Cb 0.26 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 3mhf h PHE 234 CO 0.01 1.13 -0.28 0.00 -0.60 0.00 0.00 178.31 178.56 3mhf h ARG 235 N 0.69 0.61 -0.60 1.51 3.08 -1.06 -1.13 114.38 117.48 3mhf h ARG 235 Ca 0.06 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 3mhf h ARG 235 Cb 0.94 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 3mhf h ARG 235 CO 0.09 0.83 0.26 -0.44 -1.07 0.00 0.00 179.97 179.64 3mhf h ASP 236 N 0.53 0.81 -0.03 7.04 3.32 -0.73 -0.83 116.42 126.52 3mhf h ASP 236 Ca 0.07 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3mhf h ASP 236 Cb 0.76 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3mhf h ASP 236 CO 0.06 0.73 -0.05 -0.61 -1.72 0.00 0.00 179.24 177.66 3mhf h GLN 237 N 0.82 -0.07 -0.93 3.56 4.15 -0.87 -1.40 115.11 120.38 3mhf h GLN 237 Ca 0.20 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.76 3mhf h GLN 237 Cb 0.16 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.79 3mhf h GLN 237 CO -0.02 -0.05 0.59 1.49 -1.93 0.00 0.00 178.83 178.92 3mhf h GLU 238 N -0.07 0.78 -0.00 1.69 4.57 -0.99 0.56 114.58 121.11 3mhf h GLU 238 Ca 0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3mhf h GLU 238 Cb 0.11 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 3mhf h GLU 238 CO -0.07 0.52 -0.03 0.00 -1.18 0.00 0.00 179.01 178.24 3mhf n ALA 239 N -2.40 2.64 1.07 2.92 0.00 -0.34 -3.63 120.51 120.78 3mhf n ALA 239 Ca 0.18 -0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3mhf n ALA 239 Cb 0.42 -1.43 0.30 0.00 0.00 0.00 0.00 19.45 18.74 3mhf n ALA 239 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mhf n SER 240 N -0.98 0.62 -3.66 0.00 7.64 0.19 -4.92 113.62 112.51 3mhf n SER 240 Ca 0.18 -0.40 -0.15 0.00 1.01 0.00 0.00 58.87 59.51 3mhf n SER 240 Cb 0.22 0.19 -0.07 0.00 -1.01 0.00 0.00 64.21 63.54 3mhf n SER 240 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3mhf s THR 241 N -2.86 0.04 -1.81 0.44 -1.32 -1.24 -3.49 115.64 105.40 3mhf s THR 241 Ca 0.15 -0.32 0.15 0.00 -1.21 0.00 0.00 61.69 60.46 3mhf s THR 241 Cb 0.18 -0.83 0.11 0.00 -1.51 0.00 0.00 72.50 70.46 3mhf s THR 241 CO 0.64 -0.17 0.96 0.47 -2.21 0.00 0.00 174.62 174.31 3mhf n ASP 242 N 0.93 2.20 -4.86 8.08 8.00 -1.26 -4.93 116.55 124.71 3mhf n ASP 242 Ca -0.20 -1.60 -0.31 0.00 0.71 0.00 0.00 54.79 53.39 3mhf n ASP 242 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 3mhf n ASP 242 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3mhf s LEU 243 N -1.22 3.58 0.51 0.64 1.43 -1.26 -4.61 118.68 117.76 3mhf s LEU 243 Ca 0.17 1.42 -0.23 0.00 -1.03 0.00 0.00 54.13 54.46 3mhf s LEU 243 Cb 0.12 -4.37 -0.06 0.00 0.03 0.00 0.00 46.19 41.91 3mhf s LEU 243 CO 0.18 -0.61 1.38 -2.65 0.23 0.00 0.00 176.35 174.89 3mhf n PRO 244 N -1.80 1.89 -3.92 1.29 -0.02 -1.26 -4.91 135.00 126.27 3mhf n PRO 244 Ca 0.05 0.69 -0.10 0.00 -2.02 0.00 0.00 63.50 62.12 3mhf n PRO 244 Cb 0.54 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 3mhf n PRO 244 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3mhf s TYR 245 N -1.25 0.15 0.11 6.00 -0.85 -1.26 -1.94 117.35 118.30 3mhf s TYR 245 Ca 0.68 -0.32 0.05 0.00 -0.52 0.00 0.00 57.07 56.95 3mhf s TYR 245 Cb -0.43 -0.12 -0.04 0.00 0.38 0.00 0.00 41.96 41.76 3mhf s TYR 245 CO 0.52 -0.24 -0.11 0.96 -1.52 0.00 0.00 175.55 175.16 3mhf s ILE 246 N -1.43 1.10 0.02 -3.49 -4.36 -0.24 -0.39 121.20 112.41 3mhf s ILE 246 Ca -0.15 -1.72 -0.07 0.00 -0.26 0.00 0.00 60.65 58.44 3mhf s ILE 246 Cb -0.09 -1.48 -0.05 0.00 1.25 0.00 0.00 42.46 42.09 3mhf s ILE 246 CO 0.00 -0.54 0.30 -0.31 0.24 0.00 0.00 174.94 174.63 3mhf s TYR 247 N -2.46 3.58 0.14 1.37 2.02 -0.77 -0.97 117.35 120.25 3mhf s TYR 247 Ca 0.08 0.62 0.02 0.00 -0.37 0.00 0.00 57.07 57.42 3mhf s TYR 247 Cb -0.03 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 3mhf s TYR 247 CO 0.01 0.59 0.27 -0.48 -1.57 0.00 0.00 175.55 174.38 3mhf s LEU 248 N -1.80 4.34 -0.10 -1.29 0.05 -0.57 -1.71 118.68 117.60 3mhf s LEU 248 Ca 0.29 0.19 -0.15 0.00 0.05 0.00 0.00 54.13 54.51 3mhf s LEU 248 Cb -0.13 -2.92 -0.05 0.00 -2.05 0.00 0.00 46.19 41.03 3mhf s LEU 248 CO 0.17 0.07 0.36 -0.55 -0.55 0.00 0.00 176.35 175.84 3mhf s SER 249 N -3.12 6.60 -0.17 1.48 0.15 -1.26 -4.56 113.70 112.82 3mhf s SER 249 Ca 0.35 0.72 -0.08 0.00 0.70 0.00 0.00 55.95 57.63 3mhf s SER 249 Cb -0.11 -2.22 0.07 0.00 -1.71 0.00 0.00 66.02 62.05 3mhf s SER 249 CO 0.28 0.17 0.39 0.00 1.20 0.00 0.00 173.24 175.29 3mhf s ALA 250 N -0.10 -1.02 -0.94 5.45 0.00 -1.26 -4.93 121.76 118.96 3mhf s ALA 250 Ca 0.21 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3mhf s ALA 250 Cb -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.90 3mhf s ALA 250 CO 0.08 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.77 3mhf n GLY 251 N 4.78 0.96 3.17 0.00 0.00 -1.26 -4.98 105.19 107.87 3mhf n GLY 251 Ca -0.16 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 3mhf n GLY 251 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mhf s VAL 252 N -2.03 0.95 0.94 1.61 -7.23 -1.26 -5.04 120.40 108.35 3mhf s VAL 252 Ca 0.00 -1.60 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 3mhf s VAL 252 Cb 0.00 -1.32 0.16 0.00 0.56 0.00 0.00 36.38 35.78 3mhf s VAL 252 CO 0.00 -0.53 1.09 -0.94 -0.31 0.00 0.00 175.10 174.42 3mhf s SER 253 N -2.37 3.08 0.20 4.85 1.04 -1.26 -4.77 113.70 114.47 3mhf s SER 253 Ca 0.05 1.35 -0.10 0.00 0.48 0.00 0.00 55.95 57.72 3mhf s SER 253 Cb -0.04 -2.02 0.14 0.00 0.10 0.00 0.00 66.02 64.20 3mhf s SER 253 CO 0.00 -2.87 1.84 0.00 0.98 0.00 0.00 173.24 173.19 3mhf h ALA 254 N -1.71 0.93 -0.59 5.32 0.00 -1.99 -0.15 119.26 121.07 3mhf h ALA 254 Ca -0.52 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3mhf h ALA 254 Cb 1.30 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3mhf h ALA 254 CO 0.56 0.41 0.37 0.87 0.00 0.00 0.00 179.25 181.46 3mhf h LYS 255 N 1.00 0.79 -0.36 0.00 1.79 -2.00 -1.99 116.57 115.80 3mhf h LYS 255 Ca 0.26 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 58.51 3mhf h LYS 255 Cb -0.01 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.46 3mhf h LYS 255 CO -0.05 0.55 -0.39 1.25 -1.08 0.00 0.00 179.45 179.74 3mhf h LEU 256 N 0.79 0.97 -0.44 2.94 5.85 -1.80 -1.33 115.31 122.28 3mhf h LEU 256 Ca 0.21 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.49 3mhf h LEU 256 Cb -0.05 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 3mhf h LEU 256 CO -0.04 1.24 0.24 0.15 -0.34 0.00 0.00 178.44 179.69 3mhf h PHE 257 N 0.71 0.44 -0.81 1.25 3.57 -0.95 0.12 116.94 121.26 3mhf h PHE 257 Ca 0.05 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3mhf h PHE 257 Cb 0.98 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 3mhf h PHE 257 CO 0.07 0.24 0.50 1.96 -2.23 0.00 0.00 178.31 178.84 3mhf h GLN 258 N 0.48 1.10 -0.25 1.11 4.20 -1.18 -0.27 115.11 120.31 3mhf h GLN 258 Ca 0.18 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3mhf h GLN 258 Cb 0.06 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3mhf h GLN 258 CO -0.11 0.77 0.04 -0.44 -0.67 0.00 0.00 178.83 178.42 3mhf h ASP 259 N 1.12 0.32 -0.41 1.46 3.32 -0.67 -2.21 116.42 119.34 3mhf h ASP 259 Ca 0.29 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 3mhf h ASP 259 Cb -0.05 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3mhf h ASP 259 CO -0.06 0.35 -0.31 0.74 -1.72 0.00 0.00 179.24 178.24 3mhf h THR 260 N 0.35 1.27 -0.42 0.35 2.02 0.63 -1.08 112.91 116.03 3mhf h THR 260 Ca 0.08 -1.48 0.05 0.00 0.77 0.00 0.00 66.41 65.83 3mhf h THR 260 Cb 0.17 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3mhf h THR 260 CO -0.00 0.50 0.17 -0.07 0.37 0.00 0.00 175.52 176.49 3mhf h LEU 261 N 0.76 0.21 -0.05 2.58 3.38 -0.68 0.28 115.31 121.80 3mhf h LEU 261 Ca 0.08 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3mhf h LEU 261 Cb 0.90 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3mhf h LEU 261 CO 0.08 0.16 -0.01 0.58 0.09 0.00 0.00 178.44 179.34 3mhf h VAL 262 N 0.35 0.96 -0.89 1.22 2.07 -1.24 -2.10 116.25 116.63 3mhf h VAL 262 Ca 0.19 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.74 3mhf h VAL 262 Cb 0.16 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3mhf h VAL 262 CO -0.18 0.00 0.58 0.15 0.02 0.00 0.00 177.57 178.14 3mhf h PHE 263 N 0.01 1.08 0.03 1.57 3.57 -0.79 -0.92 116.94 121.49 3mhf h PHE 263 Ca 0.02 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3mhf h PHE 263 Cb 0.03 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.37 3mhf h PHE 263 CO -0.11 0.63 -0.21 0.00 -2.23 0.00 0.00 178.31 176.40 3mhf h ALA 264 N 1.36 -0.29 -0.61 2.41 0.00 -0.17 0.14 119.26 122.09 3mhf h ALA 264 Ca 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3mhf h ALA 264 Cb -0.02 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3mhf h ALA 264 CO -0.11 -0.71 0.31 0.00 0.00 0.00 0.00 179.25 178.73 3mhf h ALA 265 N 0.51 0.79 -0.87 0.00 0.00 -1.08 -0.38 119.26 118.22 3mhf h ALA 265 Ca 0.05 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3mhf h ALA 265 Cb 0.41 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3mhf h ALA 265 CO -0.17 0.34 0.58 0.93 0.00 0.00 0.00 179.25 180.93 3mhf h GLU 266 N 0.84 1.14 0.00 0.00 5.08 -0.88 -2.41 114.58 118.36 3mhf h GLU 266 Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3mhf h GLU 266 Cb 0.10 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3mhf h GLU 266 CO -0.03 0.76 0.00 0.77 -1.00 0.00 0.00 179.01 179.51 3mhf h SER 267 N 1.18 0.00 0.00 1.42 0.02 -0.23 -3.46 113.55 112.48 3mhf h SER 267 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3mhf h SER 267 Cb -0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3mhf h SER 267 CO -0.07 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.23 3mhf n GLY 268 N 0.14 1.07 3.73 -3.77 0.00 -0.90 -4.63 105.19 100.83 3mhf n GLY 268 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3mhf n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mhf s ALA 269 N -2.00 3.66 -0.94 4.61 0.00 -0.20 -4.91 121.76 121.99 3mhf s ALA 269 Ca 0.00 1.27 -0.00 0.00 0.00 0.00 0.00 51.96 53.22 3mhf s ALA 269 Cb 0.00 -3.57 0.32 0.00 0.00 0.00 0.00 23.12 19.87 3mhf s ALA 269 CO 0.00 -0.70 1.51 1.17 0.00 0.00 0.00 175.76 177.74 3mhf n LYS 270 N 3.33 4.62 -2.45 0.00 3.00 -1.26 -4.34 118.16 121.05 3mhf n LYS 270 Ca 0.10 -4.68 -0.31 0.00 -0.00 0.00 0.00 58.31 53.43 3mhf n LYS 270 Cb 0.40 -2.42 -0.02 0.00 0.00 0.00 0.00 35.03 32.99 3mhf n LYS 270 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.40 176.81 3mhf s PHE 271 N -3.68 3.51 -0.18 5.64 -0.12 -1.26 -4.79 117.98 117.10 3mhf s PHE 271 Ca 0.39 1.21 0.17 0.00 -0.05 0.00 0.00 56.93 58.65 3mhf s PHE 271 Cb 0.17 -2.60 0.49 0.00 -0.63 0.00 0.00 43.02 40.45 3mhf s PHE 271 CO -0.06 -0.35 1.38 0.09 -0.05 0.00 0.00 175.22 176.24 3mhf n ASN 272 N -1.84 3.56 0.00 1.98 4.13 0.47 -0.06 115.26 123.50 3mhf n ASN 272 Ca 0.04 -3.08 0.00 0.00 1.68 0.00 0.00 54.58 53.22 3mhf n ASN 272 Cb 0.54 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 38.25 3mhf n ASN 272 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mhf n GLY 273 N -0.70 0.77 3.17 7.41 0.00 -1.26 -0.91 105.19 113.68 3mhf n GLY 273 Ca 0.21 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 3mhf n GLY 273 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mhf s VAL 274 N -1.60 0.12 -0.49 1.61 -7.23 0.38 -1.84 120.40 111.35 3mhf s VAL 274 Ca 0.00 -1.02 0.08 0.00 -1.81 0.00 0.00 61.98 59.23 3mhf s VAL 274 Cb 0.00 -1.01 0.33 0.00 0.56 0.00 0.00 36.38 36.26 3mhf s VAL 274 CO 0.00 -0.57 0.82 -0.11 -0.31 0.00 0.00 175.10 174.93 3mhf n LEU 275 N 0.53 2.71 0.00 1.32 7.94 -0.69 -1.82 117.00 126.99 3mhf n LEU 275 Ca -0.18 -5.34 -0.25 0.00 -1.11 0.00 0.00 56.01 49.14 3mhf n LEU 275 Cb 0.60 0.02 -0.03 0.00 0.53 0.00 0.00 43.42 44.53 3mhf n LEU 275 CO 0.22 2.29 -0.07 0.00 -1.11 0.00 0.00 177.39 178.73 3mhf n GLY 277 N -0.38 -0.00 0.35 0.00 0.00 -1.26 -2.10 105.19 101.80 3mhf n GLY 277 Ca -0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 3mhf n GLY 277 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mhf n ARG 278 N -1.04 -0.29 0.10 1.61 0.63 -1.26 0.65 116.66 117.06 3mhf n ARG 278 Ca 0.00 1.34 0.20 0.00 -0.92 0.00 0.00 57.85 58.46 3mhf n ARG 278 Cb 0.00 -1.98 0.76 0.00 0.45 0.00 0.00 32.46 31.69 3mhf n ARG 278 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mhf h ALA 279 N 0.87 2.11 -0.16 5.13 0.00 -1.97 0.42 119.26 125.65 3mhf h ALA 279 Ca 0.23 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3mhf h ALA 279 Cb 0.45 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3mhf h ALA 279 CO -0.85 -0.58 -0.42 1.15 0.00 0.00 0.00 179.25 178.55 3mhf h THR 280 N 0.00 1.34 -0.20 0.00 2.02 -0.16 -3.35 112.91 112.56 3mhf h THR 280 Ca 0.18 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.67 3mhf h THR 280 Cb 0.94 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 3mhf h THR 280 CO -0.00 0.52 0.00 -2.67 0.37 0.00 0.00 175.52 173.73 3mhf n TRP 281 N -4.26 0.44 0.13 3.16 4.27 -0.01 -4.57 117.44 116.60 3mhf n TRP 281 Ca -0.07 -0.68 -0.13 0.00 -3.89 0.00 0.00 57.50 52.73 3mhf n TRP 281 Cb 0.55 -0.13 -0.08 0.00 -1.36 0.00 0.00 31.31 30.29 3mhf n TRP 281 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3mhf h ALA 282 N 1.26 -0.36 0.00 -1.67 0.00 -0.41 -3.14 119.26 114.94 3mhf h ALA 282 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3mhf h ALA 282 Cb 0.93 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3mhf h ALA 282 CO 0.06 -0.50 0.04 0.41 0.00 0.00 0.00 179.25 179.26 3mhf n GLY 283 N -0.15 -0.32 0.08 0.00 0.00 -1.26 -1.02 105.19 102.53 3mhf n GLY 283 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 3mhf n GLY 283 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mhf n SER 284 N -1.30 0.78 -0.19 1.61 3.41 -1.19 -4.16 113.62 112.58 3mhf n SER 284 Ca 0.00 0.37 0.09 0.00 -0.26 0.00 0.00 58.87 59.07 3mhf n SER 284 Cb 0.04 0.07 0.38 0.00 -0.26 0.00 0.00 64.21 64.44 3mhf n SER 284 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3mhf h VAL 285 N 0.00 0.95 -0.00 -3.33 3.04 -1.17 0.23 116.25 115.97 3mhf h VAL 285 Ca -0.31 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 3mhf h VAL 285 Cb 2.02 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 3mhf h VAL 285 CO 0.07 0.13 -0.00 1.17 -1.01 0.00 0.00 177.57 177.93 3mhf n LYS 286 N -4.50 0.86 -0.04 4.17 4.81 -1.26 -3.67 118.16 118.53 3mhf n LYS 286 Ca 0.12 -0.02 -0.04 0.00 -0.87 0.00 0.00 58.31 57.51 3mhf n LYS 286 Cb 0.32 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.85 3mhf n LYS 286 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3mhf n VAL 287 N -1.05 0.71 -1.39 3.15 0.31 0.71 -4.63 118.33 116.14 3mhf n VAL 287 Ca 0.21 0.34 -0.44 0.00 -0.01 0.00 0.00 64.34 64.45 3mhf n VAL 287 Cb 0.15 -1.92 -0.01 0.00 -0.91 0.00 0.00 33.84 31.16 3mhf n VAL 287 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mhf n TYR 288 N -3.43 -1.04 0.00 3.52 4.19 -0.59 0.13 117.16 119.95 3mhf n TYR 288 Ca -0.06 0.71 0.00 0.00 3.31 0.00 0.00 57.90 61.87 3mhf n TYR 288 Cb 0.21 -1.91 0.00 0.00 0.49 0.00 0.00 39.34 38.13 3mhf n TYR 288 CO 0.00 0.00 0.00 0.44 0.91 0.00 0.00 176.86 178.21 3mhf n ILE 289 N -0.64 0.00 0.80 2.97 -5.35 -1.26 -4.52 119.36 111.36 3mhf n ILE 289 Ca 0.13 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.72 3mhf n ILE 289 Cb 0.35 0.00 0.10 0.00 -1.74 0.00 0.00 39.64 38.36 3mhf n ILE 289 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3mhf n GLU 290 N 0.00 0.14 0.00 6.28 2.13 0.12 -4.44 120.64 124.86 3mhf n GLU 290 Ca 0.00 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.83 3mhf n GLU 290 Cb 0.00 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.16 3mhf n GLU 290 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3mhf n GLU 291 N -1.73 1.48 0.00 5.31 1.02 0.11 -5.02 120.64 121.80 3mhf n GLU 291 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3mhf n GLU 291 Cb 0.38 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 3mhf n GLU 291 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mhf n GLY 292 N 0.00 2.62 0.22 0.62 0.00 -1.25 -4.47 105.19 102.92 3mhf n GLY 292 Ca 0.00 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 3mhf n GLY 292 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mhf h PRO 293 N 0.00 0.07 -0.98 1.61 0.11 -1.95 0.22 132.00 131.08 3mhf h PRO 293 Ca 0.00 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.16 3mhf h PRO 293 Cb 0.00 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.03 3mhf h PRO 293 CO 0.00 0.05 0.64 0.37 -0.21 0.00 0.00 178.00 178.84 3mhf h GLN 294 N 0.07 1.15 0.58 1.05 -0.00 -1.99 -0.41 115.11 115.57 3mhf h GLN 294 Ca 0.29 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.84 3mhf h GLN 294 Cb 0.46 -0.26 0.01 0.00 0.00 0.00 0.00 27.48 27.69 3mhf h GLN 294 CO -0.52 0.76 -0.28 0.00 0.00 0.00 0.00 178.83 178.79 3mhf h ALA 295 N 1.45 -0.78 -0.24 3.38 0.00 -1.20 -2.17 119.26 119.69 3mhf h ALA 295 Ca 0.41 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3mhf h ALA 295 Cb 0.09 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3mhf h ALA 295 CO -0.14 -0.92 0.17 0.00 0.00 0.00 0.00 179.25 178.36 3mhf h ALA 296 N -0.42 2.17 -0.50 0.00 0.00 -1.03 -0.97 119.26 118.52 3mhf h ALA 296 Ca -0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3mhf h ALA 296 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3mhf h ALA 296 CO 0.13 -0.23 0.07 -0.09 0.00 0.00 0.00 179.25 179.13 3mhf h ARG 297 N 0.05 0.83 0.00 0.00 2.43 -0.68 -1.12 114.38 115.89 3mhf h ARG 297 Ca 0.11 -0.23 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 3mhf h ARG 297 Cb 0.39 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3mhf h ARG 297 CO -0.01 0.83 -0.46 1.49 -1.51 0.00 0.00 179.97 180.31 3mhf h GLU 298 N 0.70 0.00 -0.35 0.20 4.57 -0.59 -1.77 114.58 117.35 3mhf h GLU 298 Ca 0.15 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 3mhf h GLU 298 Cb 0.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3mhf h GLU 298 CO 0.01 0.46 0.12 2.35 -1.18 0.00 0.00 179.01 180.76 3mhf h TRP 299 N 0.00 0.55 -0.26 0.92 7.01 -0.95 -2.85 115.95 120.37 3mhf h TRP 299 Ca -0.00 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 60.90 3mhf h TRP 299 Cb 0.85 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 3mhf h TRP 299 CO 0.00 0.53 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.10 3mhf h LEU 300 N 0.41 0.37 -0.34 0.65 3.38 -0.73 -1.37 115.31 117.67 3mhf h LEU 300 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3mhf h LEU 300 Cb 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3mhf h LEU 300 CO -0.01 0.44 0.00 0.03 0.09 0.00 0.00 178.44 179.00 3mhf h ARG 301 N 0.38 0.00 0.00 1.13 3.08 -1.16 -0.22 114.38 117.60 3mhf h ARG 301 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3mhf h ARG 301 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3mhf h ARG 301 CO 0.01 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.16 3mhf n THR 302 N -2.30 0.00 -0.26 2.04 -2.24 -0.87 -4.43 114.28 106.22 3mhf n THR 302 Ca 0.04 0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 3mhf n THR 302 Cb 0.34 -0.69 0.14 0.00 -2.10 0.00 0.00 70.33 68.03 3mhf n THR 302 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3mhf h GLU 303 N 0.00 1.10 0.63 -0.78 4.39 -1.51 -0.88 114.58 117.52 3mhf h GLU 303 Ca 0.00 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 3mhf h GLU 303 Cb 0.00 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.44 3mhf h GLU 303 CO 0.00 0.83 -0.36 0.78 -1.16 0.00 0.00 179.01 179.11 3mhf h GLY 304 N 1.13 -0.99 0.60 -3.84 0.00 -1.26 -0.02 103.07 98.70 3mhf h GLY 304 Ca 0.27 0.40 0.06 0.00 0.00 0.00 0.00 47.33 48.05 3mhf h GLY 304 CO -0.04 -0.36 0.19 -2.75 0.00 0.00 0.00 176.54 173.58 3mhf h PHE 305 N -0.93 0.33 -0.18 5.60 3.57 -0.95 -0.46 116.94 123.93 3mhf h PHE 305 Ca -0.08 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.49 3mhf h PHE 305 Cb 0.74 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 3mhf h PHE 305 CO -0.07 0.13 -0.11 -0.22 -2.23 0.00 0.00 178.31 175.81 3mhf h LYS 306 N 0.37 -0.10 -0.05 1.11 3.64 -1.04 0.32 116.57 120.81 3mhf h LYS 306 Ca 0.22 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3mhf h LYS 306 Cb 0.21 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3mhf h LYS 306 CO -0.21 -0.06 -0.08 -0.91 -2.27 0.00 0.00 179.45 175.91 3mhf h ASN 307 N -0.10 -0.24 -0.05 4.20 2.35 -0.42 -0.55 115.58 120.76 3mhf h ASN 307 Ca 0.10 0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 3mhf h ASN 307 Cb 0.26 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 3mhf h ASN 307 CO -0.24 -0.11 -0.34 -0.29 -1.65 0.00 0.00 177.43 174.79 3mhf h ILE 308 N -0.11 1.29 -0.57 2.81 2.10 -0.85 -2.45 117.51 119.72 3mhf h ILE 308 Ca 0.05 -1.46 -0.07 0.00 1.08 0.00 0.00 64.86 64.46 3mhf h ILE 308 Cb 0.18 1.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.36 3mhf h ILE 308 CO -0.12 0.46 0.08 -0.78 -1.08 0.00 0.00 178.15 176.71 3mhf h ASP 309 N 0.46 0.88 0.50 2.19 3.58 -0.09 -0.40 116.42 123.53 3mhf h ASP 309 Ca 0.05 -0.20 -0.13 0.00 0.42 0.00 0.00 57.03 57.17 3mhf h ASP 309 Cb 0.81 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 3mhf h ASP 309 CO 0.07 0.89 -0.59 -0.33 -2.88 0.00 0.00 179.24 176.40 3mhf h GLU 310 N 0.87 0.09 -0.13 0.28 5.08 -0.95 -1.70 114.58 118.13 3mhf h GLU 310 Ca 0.18 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3mhf h GLU 310 Cb 0.40 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3mhf h GLU 310 CO 0.01 0.66 -0.07 1.25 -1.00 0.00 0.00 179.01 179.86 3mhf h LEU 311 N 0.07 0.29 -0.72 1.33 5.85 -1.14 -2.63 115.31 118.36 3mhf h LEU 311 Ca -0.01 -0.42 0.10 0.00 0.84 0.00 0.00 57.88 58.40 3mhf h LEU 311 Cb 1.06 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 3mhf h LEU 311 CO 0.08 0.65 0.35 0.78 -0.34 0.00 0.00 178.44 179.96 3mhf h ASN 312 N -0.07 0.43 -0.76 1.25 2.35 -0.95 0.70 115.58 118.52 3mhf h ASN 312 Ca 0.03 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3mhf h ASN 312 Cb 0.54 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 3mhf h ASN 312 CO 0.02 0.23 0.31 0.11 -1.65 0.00 0.00 177.43 176.45 3mhf h LYS 313 N 0.57 1.14 -0.65 0.81 1.57 -1.30 -0.02 116.57 118.68 3mhf h LYS 313 Ca 0.37 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3mhf h LYS 313 Cb 0.43 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3mhf h LYS 313 CO -0.30 0.92 0.31 0.28 -0.57 0.00 0.00 179.45 180.09 3mhf h VAL 314 N 1.10 1.22 -0.93 0.50 2.07 -0.94 -2.88 116.25 116.39 3mhf h VAL 314 Ca 0.26 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3mhf h VAL 314 Cb 0.20 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 3mhf h VAL 314 CO -0.02 0.26 0.57 -0.07 0.02 0.00 0.00 177.57 178.33 3mhf h LEU 315 N 0.90 1.11 -2.31 2.57 3.38 -0.12 -2.36 115.31 118.48 3mhf h LEU 315 Ca 0.22 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.17 3mhf h LEU 315 Cb 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3mhf h LEU 315 CO -0.03 0.84 0.18 0.44 0.09 0.00 0.00 178.44 179.96 3mhf h ASP 316 N 1.28 0.00 -0.07 -0.43 3.32 -0.80 -1.14 116.42 118.59 3mhf h ASP 316 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3mhf h ASP 316 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3mhf h ASP 316 CO -0.06 0.00 0.00 2.29 -1.72 0.00 0.00 179.24 179.75 3mhf n LYS 317 N -3.63 0.83 0.00 3.56 2.85 -0.93 -4.77 118.16 116.07 3mhf n LYS 317 Ca 0.00 -1.24 0.00 0.00 -1.05 0.00 0.00 58.31 56.02 3mhf n LYS 317 Cb 0.28 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 3mhf n LYS 317 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3mhf n THR 318 N 0.49 0.00 -2.13 0.58 -2.24 -0.68 -5.04 114.28 105.25 3mhf n THR 318 Ca 0.06 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.51 3mhf n THR 318 Cb 0.27 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 3mhf n THR 318 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mhf s ALA 319 N -1.94 2.78 0.15 6.98 0.00 -0.52 -4.70 121.76 124.51 3mhf s ALA 319 Ca 0.00 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.44 3mhf s ALA 319 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 3mhf s ALA 319 CO 0.00 -0.71 -0.03 -1.12 0.00 0.00 0.00 175.76 173.90 3mhf s SER 320 N -2.69 4.65 0.15 0.00 0.01 0.91 -4.93 113.70 111.79 3mhf s SER 320 Ca 0.64 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 57.21 3mhf s SER 320 Cb -0.16 -0.96 -0.08 0.00 0.21 0.00 0.00 66.02 65.03 3mhf s SER 320 CO 0.34 0.12 1.26 -2.84 0.41 0.00 0.00 173.24 172.54 3mhf s PRO 321 N -2.68 4.42 0.49 12.44 0.02 -1.26 -4.08 135.00 144.35 3mhf s PRO 321 Ca 0.26 1.93 0.25 0.00 0.02 0.00 0.00 61.00 63.46 3mhf s PRO 321 Cb -0.10 -3.25 1.26 0.00 0.02 0.00 0.00 34.50 32.43 3mhf s PRO 321 CO 0.17 -0.23 2.00 0.11 -0.33 0.00 0.00 177.00 178.71 3mhf h TRP 322 N 5.93 0.00 -0.03 6.54 5.08 -1.11 0.37 115.95 132.73 3mhf h TRP 322 Ca -0.43 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.54 3mhf h TRP 322 Cb 1.21 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3mhf h TRP 322 CO 0.64 0.17 0.07 1.79 -1.28 0.00 0.00 178.44 179.83 3mhf h THR 323 N 0.00 0.19 0.00 0.12 1.35 -1.91 -3.47 112.91 109.19 3mhf h THR 323 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3mhf h THR 323 Cb 0.45 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3mhf h THR 323 CO 0.02 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.67