#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhf s LEU 4 N 0.00 4.54 0.92 3.22 1.43 -1.26 -5.04 118.68 122.49 3mhf s LEU 4 Ca 0.00 2.19 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 3mhf s LEU 4 Cb 0.00 -3.67 0.15 0.00 0.03 0.00 0.00 46.19 42.70 3mhf s LEU 4 CO 0.00 -0.11 1.09 0.42 0.23 0.00 0.00 176.35 177.98 3mhf s THR 5 N -1.21 2.54 0.16 5.49 -4.23 -1.26 -4.79 115.64 112.34 3mhf s THR 5 Ca 0.45 0.17 -0.17 0.00 -1.18 0.00 0.00 61.69 60.97 3mhf s THR 5 Cb -0.30 -2.60 0.07 0.00 1.34 0.00 0.00 72.50 71.01 3mhf s THR 5 CO 0.38 -0.23 1.69 -0.08 -0.54 0.00 0.00 174.62 175.84 3mhf h GLU 6 N -1.67 0.05 -0.20 3.99 4.81 -1.99 -0.44 114.58 119.13 3mhf h GLU 6 Ca -0.50 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.59 3mhf h GLU 6 Cb 1.29 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3mhf h GLU 6 CO 0.54 0.04 -0.45 -0.91 -0.73 0.00 0.00 179.01 177.49 3mhf h ASN 7 N 0.06 0.53 -0.09 1.04 2.35 -1.92 -1.26 115.58 116.29 3mhf h ASN 7 Ca 0.18 -0.25 -0.13 0.00 -0.55 0.00 0.00 56.30 55.55 3mhf h ASN 7 Cb 0.27 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3mhf h ASN 7 CO -0.35 0.91 -0.38 0.11 -1.65 0.00 0.00 177.43 176.07 3mhf h LYS 8 N 0.40 0.61 -0.42 0.81 1.57 -1.67 -1.55 116.57 116.32 3mhf h LYS 8 Ca 0.03 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 3mhf h LYS 8 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 3mhf h LYS 8 CO 0.08 0.89 0.07 -0.09 -0.57 0.00 0.00 179.45 179.83 3mhf h ARG 9 N 0.50 0.69 -0.70 3.15 2.43 -0.87 0.87 114.38 120.46 3mhf h ARG 9 Ca 0.05 -0.19 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3mhf h ARG 9 Cb 0.89 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.31 3mhf h ARG 9 CO 0.08 0.73 0.43 -0.22 -1.51 0.00 0.00 179.97 179.48 3mhf h LYS 10 N 0.55 0.81 -0.30 0.20 1.63 -1.10 -0.42 116.57 117.94 3mhf h LYS 10 Ca 0.13 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 3mhf h LYS 10 Cb 0.38 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 3mhf h LYS 10 CO 0.01 0.54 -0.06 0.77 -3.45 0.00 0.00 179.45 177.26 3mhf h SER 11 N 0.83 0.57 -0.91 4.20 0.02 -1.04 -2.25 113.55 114.99 3mhf h SER 11 Ca 0.29 -0.35 0.09 0.00 -0.84 0.00 0.00 61.79 60.98 3mhf h SER 11 Cb 0.05 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.36 3mhf h SER 11 CO -0.12 0.79 0.55 0.24 -1.14 0.00 0.00 176.83 177.15 3mhf h MET 12 N 0.34 0.90 -0.76 3.45 2.86 -0.49 -1.71 114.93 119.52 3mhf h MET 12 Ca 0.08 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3mhf h MET 12 Cb 0.53 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 3mhf h MET 12 CO 0.03 0.60 0.35 0.93 1.06 0.00 0.00 176.91 179.87 3mhf h GLU 13 N 0.93 1.10 0.00 1.72 5.08 -0.90 -2.31 114.58 120.21 3mhf h GLU 13 Ca 0.43 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3mhf h GLU 13 Cb 0.34 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3mhf h GLU 13 CO -0.23 0.86 0.00 0.87 -1.00 0.00 0.00 179.01 179.51 3mhf h LYS 14 N 1.09 0.00 -0.01 2.33 1.57 -0.72 -2.83 116.57 118.00 3mhf h LYS 14 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3mhf h LYS 14 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3mhf h LYS 14 CO -0.03 0.00 -0.47 1.28 -0.57 0.00 0.00 179.45 179.66 3mhf n LEU 15 N -2.81 1.26 -4.18 2.94 4.77 -0.89 -2.55 117.00 115.54 3mhf n LEU 15 Ca 0.01 -0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 55.44 3mhf n LEU 15 Cb 0.29 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 3mhf n LEU 15 CO 0.25 0.25 -0.09 -0.94 -1.33 0.00 0.00 177.39 175.53 3mhf s SER 16 N -2.64 0.66 -0.10 -1.43 1.04 -1.07 -4.08 113.70 106.07 3mhf s SER 16 Ca 0.18 -1.45 -0.00 0.00 0.48 0.00 0.00 55.95 55.16 3mhf s SER 16 Cb 0.18 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.83 3mhf s SER 16 CO 0.61 -1.01 -0.07 -0.69 0.98 0.00 0.00 173.24 173.06 3mhf s VAL 17 N -3.77 0.93 -1.53 5.02 1.01 -0.37 -4.81 120.40 116.89 3mhf s VAL 17 Ca 0.36 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 3mhf s VAL 17 Cb 0.04 -0.96 0.08 0.00 0.00 0.00 0.00 36.38 35.53 3mhf s VAL 17 CO 0.17 0.35 0.81 -0.67 0.00 0.00 0.00 175.10 175.76 3mhf n ASP 18 N 4.88 -3.23 0.00 3.32 2.03 -1.26 -1.51 116.55 120.77 3mhf n ASP 18 Ca -0.13 -0.88 0.00 0.00 0.52 0.00 0.00 54.79 54.30 3mhf n ASP 18 Cb 0.50 -3.49 0.00 0.00 -0.72 0.00 0.00 41.12 37.42 3mhf n ASP 18 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mhf n GLY 19 N -1.65 0.56 3.28 0.27 0.00 -1.26 -4.67 105.19 101.72 3mhf n GLY 19 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.32 2.48 -0.43 1.61 1.01 -0.57 -0.57 120.40 121.61 3mhf s VAL 20 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 3mhf s VAL 20 Cb 0.00 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.41 3mhf s VAL 20 CO 0.00 0.54 0.58 -0.63 0.00 0.00 0.00 175.10 175.60 3mhf s ILE 21 N 0.35 4.90 -0.79 2.22 1.01 -0.17 -1.24 121.20 127.48 3mhf s ILE 21 Ca -0.15 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.50 3mhf s ILE 21 Cb -0.17 -4.16 0.27 0.00 0.01 0.00 0.00 42.46 38.41 3mhf s ILE 21 CO 0.07 -0.55 0.99 -1.54 0.00 0.00 0.00 174.94 173.92 3mhf n SER 22 N 6.08 4.66 -4.87 3.58 3.41 -1.26 -0.85 113.62 124.37 3mhf n SER 22 Ca -0.03 -3.44 -0.36 0.00 -0.26 0.00 0.00 58.87 54.78 3mhf n SER 22 Cb 0.48 -0.87 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 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 -2.58 3.81 -0.26 7.33 0.00 -0.86 -1.47 121.76 127.73 3mhf s ALA 23 Ca 0.37 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 3mhf s ALA 23 Cb 0.11 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 3mhf s ALA 23 CO 0.03 0.59 0.37 -1.17 0.00 0.00 0.00 175.76 175.58 3mhf s LEU 24 N -1.37 4.05 -0.31 0.00 2.96 -0.37 -1.76 118.68 121.87 3mhf s LEU 24 Ca 0.23 0.32 -0.17 0.00 -0.22 0.00 0.00 54.13 54.29 3mhf s LEU 24 Cb -0.14 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 3mhf s LEU 24 CO 0.12 -0.17 0.46 0.00 -1.32 0.00 0.00 176.35 175.44 3mhf s ALA 25 N 1.96 3.52 -0.35 5.97 0.00 -0.19 -0.52 121.76 132.16 3mhf s ALA 25 Ca 0.15 -0.91 0.15 0.00 0.00 0.00 0.00 51.96 51.36 3mhf s ALA 25 Cb -0.16 -2.89 0.44 0.00 0.00 0.00 0.00 23.12 20.51 3mhf s ALA 25 CO 0.09 -0.96 1.06 0.34 0.00 0.00 0.00 175.76 176.29 3mhf n PHE 26 N 5.55 0.05 -0.44 0.00 7.35 -0.13 -3.99 117.46 125.84 3mhf n PHE 26 Ca -0.06 -2.57 0.10 0.00 -0.76 0.00 0.00 57.45 54.16 3mhf n PHE 26 Cb 0.50 0.20 0.30 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 -0.19 4.04 -4.72 -2.13 5.75 -1.19 -4.28 116.55 113.82 3mhf n ASP 27 Ca 0.06 -2.18 -0.43 0.00 -0.01 0.00 0.00 54.79 52.23 3mhf n ASP 27 Cb 0.82 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 3mhf n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mhf n GLN 28 N 1.21 2.47 0.00 0.11 3.00 -1.26 -4.55 117.38 118.36 3mhf n GLN 28 Ca 0.23 0.88 0.00 0.00 -0.01 0.00 0.00 57.00 58.10 3mhf n GLN 28 Cb 0.68 -2.63 0.00 0.00 0.00 0.00 0.00 30.24 28.30 3mhf n GLN 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3mhf n ARG 29 N 2.31 0.00 -0.26 -1.09 1.74 -1.26 -4.53 116.66 113.57 3mhf n ARG 29 Ca 0.10 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.26 3mhf n ARG 29 Cb 0.34 0.00 0.32 0.00 -1.02 0.00 0.00 32.46 32.10 3mhf n ARG 29 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3mhf h GLY 30 N 0.00 1.18 1.29 -0.13 0.00 -1.99 -0.86 103.07 102.56 3mhf h GLY 30 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 3mhf h GLY 30 CO 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 176.54 176.71 3mhf h ALA 31 N 1.57 1.01 -0.21 3.60 0.00 -1.97 -1.09 119.26 122.16 3mhf h ALA 31 Ca 0.39 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3mhf h ALA 31 Cb 0.40 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3mhf h ALA 31 CO -0.16 0.61 -0.61 1.25 0.00 0.00 0.00 179.25 180.34 3mhf h LEU 32 N 0.79 0.90 -0.65 0.00 5.85 -1.55 -2.59 115.31 118.07 3mhf h LEU 32 Ca 0.14 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 3mhf h LEU 32 Cb 0.52 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3mhf h LEU 32 CO 0.03 1.32 0.37 0.50 -0.34 0.00 0.00 178.44 180.32 3mhf h LYS 33 N 0.53 0.89 -0.68 1.25 3.64 -0.97 -0.87 116.57 120.37 3mhf h LYS 33 Ca -0.02 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3mhf h LYS 33 Cb 1.23 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 3mhf h LYS 33 CO 0.13 0.66 0.35 0.00 -2.27 0.00 0.00 179.45 178.32 3mhf h ARG 34 N 0.88 0.94 -0.49 1.90 3.08 -1.21 0.31 114.38 119.80 3mhf h ARG 34 Ca 0.23 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3mhf h ARG 34 Cb 0.01 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3mhf h ARG 34 CO -0.04 0.70 0.16 0.52 -1.07 0.00 0.00 179.97 180.24 3mhf h MET 35 N 0.95 0.75 -0.60 0.04 2.86 -0.96 -3.06 114.93 114.91 3mhf h MET 35 Ca 0.24 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3mhf h MET 35 Cb 0.05 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3mhf h MET 35 CO -0.04 0.70 0.15 0.52 1.06 0.00 0.00 176.91 179.31 3mhf h MET 36 N 0.65 0.96 0.00 1.72 2.86 -0.57 -2.72 114.93 117.84 3mhf h MET 36 Ca 0.16 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3mhf h MET 36 Cb 0.26 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3mhf h MET 36 CO -0.01 0.88 0.00 0.00 1.06 0.00 0.00 176.91 178.85 3mhf h ALA 37 N 1.04 1.00 0.00 6.32 0.00 -0.85 -1.31 119.26 125.46 3mhf h ALA 37 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3mhf h ALA 37 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3mhf h ALA 37 CO 0.00 -0.00 -0.04 1.96 0.00 0.00 0.00 179.25 181.18 3mhf h GLN 38 N 0.00 0.00 -0.04 0.00 4.20 -1.46 -3.29 115.11 114.52 3mhf h GLN 38 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3mhf h GLN 38 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3mhf h GLN 38 CO 0.00 0.04 0.00 0.72 -0.67 0.00 0.00 178.83 178.92 3mhf n HIS 39 N -3.17 0.05 -3.92 2.96 8.25 -0.50 -5.01 115.22 113.89 3mhf n HIS 39 Ca -0.00 -0.15 -0.09 0.00 -0.26 0.00 0.00 57.72 57.21 3mhf n HIS 39 Cb 0.27 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.30 3mhf n HIS 39 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3mhf s GLN 40 N -0.53 1.06 -0.12 -0.41 -2.07 -1.24 -4.73 119.66 111.61 3mhf s GLN 40 Ca 0.06 -1.10 -0.18 0.00 -1.82 0.00 0.00 55.36 52.32 3mhf s GLN 40 Cb 0.04 0.37 -0.26 0.00 -1.09 0.00 0.00 33.01 32.06 3mhf s GLN 40 CO 0.05 -0.37 0.55 1.15 -1.32 0.00 0.00 175.29 175.35 3mhf h THR 41 N 2.60 1.10 -4.12 3.63 2.02 -1.94 -3.46 112.91 112.75 3mhf h THR 41 Ca -0.32 -2.38 -0.51 0.00 0.77 0.00 0.00 66.41 63.97 3mhf h THR 41 Cb 1.22 2.73 0.09 0.00 -1.74 0.00 0.00 68.15 70.45 3mhf h THR 41 CO 0.51 0.65 0.43 -1.59 0.37 0.00 0.00 175.52 175.88 3mhf s LYS 42 N -2.44 3.11 0.26 6.66 -2.85 -1.26 -4.96 119.74 118.26 3mhf s LYS 42 Ca -0.21 1.62 -0.31 0.00 -1.00 0.00 0.00 55.97 56.07 3mhf s LYS 42 Cb 0.04 -1.97 -0.13 0.00 -2.06 0.00 0.00 37.83 33.71 3mhf s LYS 42 CO 0.74 -1.05 1.51 -1.91 0.10 0.00 0.00 175.35 174.75 3mhf n GLU 43 N -1.65 2.37 -1.83 1.78 2.13 -1.26 -4.92 120.64 117.26 3mhf n GLU 43 Ca 0.12 0.84 -0.41 0.00 0.66 0.00 0.00 57.16 58.37 3mhf n GLU 43 Cb 0.51 -2.57 -0.01 0.00 0.27 0.00 0.00 31.44 29.64 3mhf n GLU 43 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3mhf s PRO 44 N -0.30 4.14 0.39 5.31 0.02 -1.26 -4.99 135.00 138.31 3mhf s PRO 44 Ca 0.67 2.53 0.02 0.00 0.02 0.00 0.00 61.00 64.24 3mhf s PRO 44 Cb -0.58 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 30.92 3mhf s PRO 44 CO 0.48 -0.54 0.58 0.95 -0.33 0.00 0.00 177.00 178.13 3mhf s THR 45 N -0.61 4.43 0.31 0.99 -4.23 -1.26 -4.97 115.64 110.30 3mhf s THR 45 Ca 0.57 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 3mhf s THR 45 Cb -0.46 -3.61 0.28 0.00 1.34 0.00 0.00 72.50 70.05 3mhf s THR 45 CO 0.55 -0.37 1.91 0.58 -0.54 0.00 0.00 174.62 176.75 3mhf h VAL 46 N 0.64 1.04 -0.36 2.29 2.07 -1.99 -1.23 116.25 118.72 3mhf h VAL 46 Ca -0.48 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3mhf h VAL 46 Cb 1.24 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3mhf h VAL 46 CO 0.58 0.18 0.14 -0.33 0.02 0.00 0.00 177.57 178.16 3mhf h GLU 47 N 0.98 0.54 -0.48 1.57 3.07 -1.99 -0.27 114.58 117.99 3mhf h GLU 47 Ca 0.39 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3mhf h GLU 47 Cb 0.25 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 3mhf h GLU 47 CO -0.15 0.53 0.31 1.96 -1.40 0.00 0.00 179.01 180.26 3mhf h GLN 48 N 0.43 0.64 -0.10 2.33 4.20 -1.83 -1.26 115.11 119.52 3mhf h GLN 48 Ca 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3mhf h GLN 48 Cb 0.20 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3mhf h GLN 48 CO -0.01 0.45 0.03 0.82 -0.67 0.00 0.00 178.83 179.45 3mhf h ILE 49 N 0.65 1.19 -0.84 2.54 2.04 -0.97 -1.27 117.51 120.85 3mhf h ILE 49 Ca 0.18 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.48 3mhf h ILE 49 Cb -0.04 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3mhf h ILE 49 CO -0.04 0.17 0.54 -0.33 0.00 0.00 0.00 178.15 178.50 3mhf h GLU 50 N -0.04 1.03 -0.46 2.37 5.08 -1.02 -2.26 114.58 119.28 3mhf h GLU 50 Ca 0.03 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3mhf h GLU 50 Cb 0.24 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3mhf h GLU 50 CO -0.00 0.68 0.06 1.49 -1.00 0.00 0.00 179.01 180.24 3mhf h GLU 51 N 1.06 0.78 -0.55 2.33 4.81 -1.00 -0.85 114.58 121.17 3mhf h GLU 51 Ca 0.33 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 3mhf h GLU 51 Cb -0.01 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3mhf h GLU 51 CO -0.11 0.81 0.04 1.25 -0.73 0.00 0.00 179.01 180.26 3mhf h LEU 52 N 0.64 0.92 -0.40 1.64 5.85 -1.08 -0.17 115.31 122.72 3mhf h LEU 52 Ca 0.14 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3mhf h LEU 52 Cb 0.42 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3mhf h LEU 52 CO 0.01 0.98 0.26 0.11 -0.34 0.00 0.00 178.44 179.46 3mhf h LYS 53 N 0.82 0.52 -0.86 1.25 1.57 -1.32 -1.58 116.57 116.97 3mhf h LYS 53 Ca 0.16 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 3mhf h LYS 53 Cb 0.49 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 3mhf h LYS 53 CO 0.02 0.34 0.54 0.77 -0.57 0.00 0.00 179.45 180.56 3mhf h SER 54 N 0.54 0.87 -0.12 0.86 0.02 -0.76 0.13 113.55 115.09 3mhf h SER 54 Ca 0.15 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3mhf h SER 54 Cb -0.06 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 3mhf h SER 54 CO -0.03 0.57 0.03 -0.07 -1.14 0.00 0.00 176.83 176.19 3mhf h LEU 55 N 1.01 0.17 -0.54 5.07 3.38 -0.79 0.01 115.31 123.63 3mhf h LEU 55 Ca 0.36 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3mhf h LEU 55 Cb 0.11 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3mhf h LEU 55 CO -0.15 0.34 0.35 0.58 0.09 0.00 0.00 178.44 179.64 3mhf h VAL 56 N -0.00 1.14 0.05 1.22 2.07 -1.08 -1.08 116.25 118.58 3mhf h VAL 56 Ca 0.04 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3mhf h VAL 56 Cb 0.23 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3mhf h VAL 56 CO -0.00 0.14 -0.09 -1.28 0.02 0.00 0.00 177.57 176.36 3mhf h SER 57 N 0.72 -0.25 -0.29 0.57 0.87 -0.83 -1.00 113.55 113.35 3mhf h SER 57 Ca 0.20 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 3mhf h SER 57 Cb -0.07 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3mhf h SER 57 CO -0.04 -0.14 0.17 -0.33 -0.53 0.00 0.00 176.83 175.96 3mhf h GLU 58 N -0.18 0.34 0.03 2.24 5.08 -0.77 -2.42 114.58 118.89 3mhf h GLU 58 Ca 0.02 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 3mhf h GLU 58 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3mhf h GLU 58 CO -0.06 0.22 -1.03 0.93 -1.00 0.00 0.00 179.01 178.07 3mhf h GLU 59 N 0.35 0.08 0.00 2.33 4.39 -1.13 -3.40 114.58 117.20 3mhf h GLU 59 Ca 0.12 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 3mhf h GLU 59 Cb 0.00 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3mhf h GLU 59 CO -0.06 1.03 -1.80 1.28 -1.16 0.00 0.00 179.01 178.31 3mhf n LEU 60 N -3.43 0.00 0.30 1.33 4.77 -0.39 -4.50 117.00 115.08 3mhf n LEU 60 Ca -0.02 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.14 3mhf n LEU 60 Cb 0.94 0.11 0.92 0.00 -2.33 0.00 0.00 43.42 43.06 3mhf n LEU 60 CO 0.48 0.11 1.07 0.71 -1.33 0.00 0.00 177.39 178.44 3mhf h THR 61 N 0.00 0.19 0.00 -5.08 1.35 -1.58 -0.43 112.91 107.36 3mhf h THR 61 Ca -0.12 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3mhf h THR 61 Cb 1.08 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3mhf h THR 61 CO 0.01 0.03 0.08 -0.65 -0.25 0.00 0.00 175.52 174.74 3mhf h PRO 62 N 0.00 0.00 -0.33 4.72 0.11 -1.80 -2.28 132.00 132.41 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 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 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 -2.72 0.53 -4.35 0.65 3.72 -0.17 -4.98 117.46 110.14 3mhf n PHE 63 Ca -0.02 -0.55 -0.22 0.00 -0.05 0.00 0.00 57.45 56.60 3mhf n PHE 63 Cb 0.13 -0.07 -0.13 0.00 -0.94 0.00 0.00 39.48 38.47 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 -1.25 1.53 -0.04 4.37 0.00 -0.86 -4.98 121.76 120.53 3mhf s ALA 64 Ca 0.25 -1.07 0.21 0.00 0.00 0.00 0.00 51.96 51.36 3mhf s ALA 64 Cb 0.15 -0.22 0.56 0.00 0.00 0.00 0.00 23.12 23.61 3mhf s ALA 64 CO 0.15 0.30 1.67 0.66 0.00 0.00 0.00 175.76 178.53 3mhf h SER 65 N 4.46 0.00 -5.21 0.00 4.64 -1.53 -3.42 113.55 112.49 3mhf h SER 65 Ca -0.43 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.03 3mhf h SER 65 Cb 1.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.20 3mhf h SER 65 CO 0.41 0.29 0.39 -0.94 -0.87 0.00 0.00 176.83 176.12 3mhf s SER 66 N -6.28 -0.20 -0.02 4.97 1.04 -1.26 -1.56 113.70 110.40 3mhf s SER 66 Ca 0.03 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.98 3mhf s SER 66 Cb 0.09 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.79 3mhf s SER 66 CO 0.68 -1.08 -0.08 -0.51 0.98 0.00 0.00 173.24 173.23 3mhf s ILE 67 N -3.46 0.68 -0.27 -1.02 2.07 -0.41 -1.24 121.20 117.56 3mhf s ILE 67 Ca 0.12 -0.31 -0.13 0.00 -1.41 0.00 0.00 60.65 58.93 3mhf s ILE 67 Cb -0.03 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 3mhf s ILE 67 CO 0.04 0.22 0.26 -0.22 -1.91 0.00 0.00 174.94 173.33 3mhf s LEU 68 N 0.18 4.04 0.32 8.50 2.96 0.33 -0.90 118.68 134.12 3mhf s LEU 68 Ca -0.03 0.14 0.07 0.00 -0.22 0.00 0.00 54.13 54.09 3mhf s LEU 68 Cb -0.08 -2.25 -0.06 0.00 0.50 0.00 0.00 46.19 44.30 3mhf s LEU 68 CO 0.00 -0.09 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.15 3mhf s LEU 69 N 1.77 2.56 -0.09 -0.68 1.43 -0.18 -0.96 118.68 122.52 3mhf s LEU 69 Ca 0.11 -1.25 -0.05 0.00 -1.03 0.00 0.00 54.13 51.91 3mhf s LEU 69 Cb -0.16 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 3mhf s LEU 69 CO 0.10 -0.36 0.10 1.51 0.23 0.00 0.00 176.35 177.93 3mhf s ASP 70 N -3.53 6.01 0.56 2.29 -4.77 -1.26 -1.09 116.67 114.87 3mhf s ASP 70 Ca 0.32 0.35 0.25 0.00 -3.30 0.00 0.00 52.55 50.17 3mhf s ASP 70 Cb 0.05 -1.87 1.59 0.00 -1.09 0.00 0.00 42.92 41.60 3mhf s ASP 70 CO 0.15 0.38 2.19 -0.65 0.70 0.00 0.00 175.17 177.94 3mhf h PRO 71 N 4.87 0.00 0.16 2.11 0.11 -1.93 0.24 132.00 137.56 3mhf h PRO 71 Ca -0.53 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3mhf h PRO 71 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3mhf h PRO 71 CO 0.58 0.02 -0.08 1.49 -0.21 0.00 0.00 178.00 179.81 3mhf h GLU 72 N 0.00 -0.20 0.00 1.05 4.81 -1.94 -3.37 114.58 114.92 3mhf h GLU 72 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3mhf h GLU 72 Cb 0.06 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3mhf h GLU 72 CO 0.00 -0.04 0.00 0.66 -0.73 0.00 0.00 179.01 178.90 3mhf n TYR 73 N -5.13 0.00 1.15 0.92 4.01 -1.23 -4.85 117.16 112.03 3mhf n TYR 73 Ca -0.09 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.78 3mhf n TYR 73 Cb 0.15 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.79 0.68 0.22 2.72 0.00 0.83 -4.44 105.19 105.98 3mhf n GLY 74 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 3.95 0.66 -0.86 0.99 3.38 -1.76 -0.89 115.31 120.78 3mhf h LEU 75 Ca 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3mhf h LEU 75 Cb 0.84 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3mhf h LEU 75 CO 0.00 0.71 0.43 -0.65 0.09 0.00 0.00 178.44 179.02 3mhf h PRO 76 N 0.57 1.22 -0.83 1.13 0.11 -1.93 -2.13 132.00 130.14 3mhf h PRO 76 Ca 0.14 -0.17 0.03 0.00 0.11 0.00 0.00 66.00 66.11 3mhf h PRO 76 Cb 0.31 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 31.15 3mhf h PRO 76 CO 0.00 0.92 0.55 0.00 -0.21 0.00 0.00 178.00 179.26 3mhf h ALA 77 N 1.23 1.48 -0.10 -0.75 0.00 -1.75 -2.02 119.26 117.35 3mhf h ALA 77 Ca 0.30 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3mhf h ALA 77 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3mhf h ALA 77 CO -0.04 0.45 -0.15 0.66 0.00 0.00 0.00 179.25 180.17 3mhf h SER 78 N 1.04 0.15 1.24 0.00 4.64 -0.49 -2.44 113.55 117.69 3mhf h SER 78 Ca 0.33 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3mhf h SER 78 Cb 0.01 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3mhf h SER 78 CO -0.09 0.31 0.00 0.54 -0.87 0.00 0.00 176.83 176.72 3mhf n ARG 79 N -4.29 0.15 -0.24 4.77 1.74 -0.77 -3.27 116.66 114.76 3mhf n ARG 79 Ca -0.01 0.13 0.07 0.00 -0.77 0.00 0.00 57.85 57.27 3mhf n ARG 79 Cb 0.26 -1.68 0.19 0.00 -1.02 0.00 0.00 32.46 30.21 3mhf n ARG 79 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3mhf n VAL 80 N -1.93 1.15 -1.48 1.55 0.24 -0.93 -5.02 118.33 111.90 3mhf n VAL 80 Ca 0.06 -1.09 -0.33 0.00 -2.04 0.00 0.00 64.34 60.94 3mhf n VAL 80 Cb 0.38 0.42 0.08 0.00 -1.47 0.00 0.00 33.84 33.25 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 -1.20 2.34 0.39 7.34 1.70 -1.14 -4.14 118.95 124.24 3mhf s ARG 81 Ca 0.29 1.50 -0.25 0.00 -0.47 0.00 0.00 55.73 56.79 3mhf s ARG 81 Cb 0.16 -1.88 -0.12 0.00 -0.57 0.00 0.00 34.95 32.54 3mhf s ARG 81 CO 0.17 -1.63 0.97 0.45 -1.08 0.00 0.00 175.30 174.19 3mhf n SER 82 N -2.84 1.11 0.15 -2.89 2.88 -1.26 -4.86 113.62 105.92 3mhf n SER 82 Ca 0.11 1.06 0.13 0.00 -1.33 0.00 0.00 58.87 58.84 3mhf n SER 82 Cb 0.52 -1.32 0.52 0.00 -0.75 0.00 0.00 64.21 63.17 3mhf n SER 82 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3mhf h GLU 83 N 1.60 0.00 0.00 -1.46 4.11 -1.94 -1.77 114.58 115.12 3mhf h GLU 83 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 3mhf h GLU 83 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3mhf h GLU 83 CO 0.57 0.00 -0.20 0.39 0.07 0.00 0.00 179.01 179.85 3mhf n GLU 84 N -2.39 0.03 -3.87 1.06 4.71 -1.26 -4.89 120.64 114.04 3mhf n GLU 84 Ca 0.02 0.02 -0.36 0.00 -0.01 0.00 0.00 57.16 56.83 3mhf n GLU 84 Cb 0.26 -1.53 -0.07 0.00 -1.01 0.00 0.00 31.44 29.09 3mhf n GLU 84 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mhf s ALA 85 N -3.02 3.75 0.90 0.62 0.00 -0.67 -4.88 121.76 118.47 3mhf s ALA 85 Ca 0.12 -0.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 3mhf s ALA 85 Cb 0.18 -2.00 0.17 0.00 0.00 0.00 0.00 23.12 21.46 3mhf s ALA 85 CO 0.60 0.44 1.25 0.20 0.00 0.00 0.00 175.76 178.25 3mhf s GLY 86 N -0.47 1.75 -0.06 0.00 0.00 -0.60 -4.84 107.32 103.10 3mhf s GLY 86 Ca 0.12 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3mhf s GLY 86 CO 0.02 -0.47 -0.10 -2.27 0.00 0.00 0.00 173.10 170.27 3mhf s LEU 87 N -5.73 1.59 0.03 0.66 2.96 -1.26 -1.28 118.68 115.64 3mhf s LEU 87 Ca 0.71 -0.25 0.06 0.00 -0.22 0.00 0.00 54.13 54.42 3mhf s LEU 87 Cb -0.05 -0.72 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 3mhf s LEU 87 CO 0.51 0.02 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.66 3mhf s LEU 88 N 0.67 2.80 -0.06 -0.68 1.02 -0.08 0.24 118.68 122.60 3mhf s LEU 88 Ca -0.13 -0.33 0.06 0.00 0.02 0.00 0.00 54.13 53.75 3mhf s LEU 88 Cb -0.15 -1.62 -0.01 0.00 0.02 0.00 0.00 46.19 44.42 3mhf s LEU 88 CO 0.03 0.26 -0.24 -0.76 0.02 0.00 0.00 176.35 175.66 3mhf s LEU 89 N -1.44 2.13 0.47 1.79 1.43 -0.92 -1.01 118.68 121.12 3mhf s LEU 89 Ca 0.16 -0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 52.54 3mhf s LEU 89 Cb -0.11 -1.39 -0.07 0.00 0.03 0.00 0.00 46.19 44.65 3mhf s LEU 89 CO 0.06 0.25 1.16 0.00 0.23 0.00 0.00 176.35 178.04 3mhf s ALA 90 N -0.17 2.95 -0.04 4.21 0.00 -0.25 -1.53 121.76 126.92 3mhf s ALA 90 Ca -0.03 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.85 3mhf s ALA 90 Cb -0.14 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 3mhf s ALA 90 CO 0.04 -0.65 0.04 0.98 0.00 0.00 0.00 175.76 176.17 3mhf n TYR 91 N -0.56 0.00 -3.75 0.00 9.36 0.52 -4.42 117.16 118.32 3mhf n TYR 91 Ca 0.08 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.99 3mhf n TYR 91 Cb 0.48 -0.01 -0.04 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 -1.30 3.55 0.46 2.98 1.03 -1.26 -1.00 118.70 123.15 3mhf s GLU 92 Ca 0.00 -0.25 -0.22 0.00 0.03 0.00 0.00 54.97 54.53 3mhf s GLU 92 Cb 0.01 -2.90 -0.08 0.00 -0.80 0.00 0.00 34.13 30.36 3mhf s GLU 92 CO 0.04 0.49 1.11 0.15 -1.33 0.00 0.00 175.26 175.72 3mhf s LYS 93 N -2.79 3.81 0.62 -4.83 1.02 0.40 -4.66 119.74 113.30 3mhf s LYS 93 Ca 0.39 1.60 -0.12 0.00 0.02 0.00 0.00 55.97 57.86 3mhf s LYS 93 Cb -0.12 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.83 3mhf s LYS 93 CO 0.27 -0.47 1.03 0.95 -0.92 0.00 0.00 175.35 176.21 3mhf s THR 94 N -1.69 4.42 0.00 2.17 -4.23 -1.26 -4.82 115.64 110.22 3mhf s THR 94 Ca 0.64 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 3mhf s THR 94 Cb -0.24 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 69.93 3mhf s THR 94 CO 0.29 -0.93 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 3mhf n GLY 95 N -2.17 -1.65 3.39 3.99 0.00 -1.26 -5.02 105.19 102.47 3mhf n GLY 95 Ca 0.07 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 -0.41 -0.20 1.61 -0.85 -1.26 -5.00 117.35 111.24 3mhf s TYR 96 Ca 0.00 0.34 -0.29 0.00 -0.52 0.00 0.00 57.07 56.59 3mhf s TYR 96 Cb 0.00 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.70 3mhf s TYR 96 CO 0.00 -0.71 1.53 0.34 -1.52 0.00 0.00 175.55 175.19 3mhf s ASP 97 N -2.31 6.55 0.16 -0.18 -1.08 -1.26 -4.88 116.67 113.66 3mhf s ASP 97 Ca -0.02 1.67 0.25 0.00 -0.52 0.00 0.00 52.55 53.93 3mhf s ASP 97 Cb -0.00 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.84 3mhf s ASP 97 CO -0.06 -1.11 1.77 0.00 0.52 0.00 0.00 175.17 176.28 3mhf n ALA 98 N 7.86 2.10 0.78 3.66 0.00 -1.26 -2.96 120.51 130.69 3mhf n ALA 98 Ca 0.17 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.73 3mhf n ALA 98 Cb 0.45 -1.43 0.48 0.00 0.00 0.00 0.00 19.45 18.95 3mhf n ALA 98 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mhf n THR 99 N -2.04 0.34 -4.39 0.00 -2.24 -1.26 -4.87 114.28 99.82 3mhf n THR 99 Ca 0.05 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.46 3mhf n THR 99 Cb 0.35 -0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 67.96 3mhf n THR 99 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3mhf s THR 100 N -3.06 0.65 -1.68 4.28 -4.23 -1.16 -5.06 115.64 105.38 3mhf s THR 100 Ca 0.12 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.78 3mhf s THR 100 Cb 0.15 -2.59 0.25 0.00 1.34 0.00 0.00 72.50 71.65 3mhf s THR 100 CO 0.58 0.00 1.15 0.35 -0.54 0.00 0.00 174.62 176.16 3mhf n THR 101 N -0.62 0.42 0.05 3.99 -2.24 -1.26 -4.62 114.28 110.00 3mhf n THR 101 Ca -0.01 -0.71 -0.05 0.00 -2.27 0.00 0.00 64.05 61.00 3mhf n THR 101 Cb 0.66 0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 69.77 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 2.98 0.00 -6.87 3.42 4.64 -1.97 -3.45 113.55 112.30 3mhf h SER 102 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3mhf h SER 102 Cb 0.73 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.76 3mhf h SER 102 CO 0.00 0.88 -0.98 0.54 -0.87 0.00 0.00 176.83 176.39 3mhf n ARG 103 N -3.22 -0.79 -2.45 4.77 1.74 -1.26 -4.87 116.66 110.57 3mhf n ARG 103 Ca -0.04 0.15 -0.39 0.00 -0.77 0.00 0.00 57.85 56.79 3mhf n ARG 103 Cb 0.92 -3.14 -0.04 0.00 -1.02 0.00 0.00 32.46 29.18 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 -7.30 4.41 0.44 0.55 1.43 -1.26 -4.50 118.68 112.44 3mhf s LEU 104 Ca 0.32 2.24 -0.23 0.00 -1.03 0.00 0.00 54.13 55.43 3mhf s LEU 104 Cb -0.17 -3.81 -0.08 0.00 0.03 0.00 0.00 46.19 42.16 3mhf s LEU 104 CO 0.96 -0.31 1.10 -2.16 0.23 0.00 0.00 176.35 176.17 3mhf s PRO 105 N -1.81 3.92 -0.19 1.29 0.04 -1.26 -5.00 135.00 131.99 3mhf s PRO 105 Ca 0.49 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 63.06 3mhf s PRO 105 Cb -0.30 -2.41 0.09 0.00 0.04 0.00 0.00 34.50 31.92 3mhf s PRO 105 CO 0.38 -0.37 0.40 0.34 0.04 0.00 0.00 177.00 177.79 3mhf s ASP 106 N -1.55 -0.19 0.60 6.66 2.15 -1.26 -5.09 116.67 117.99 3mhf s ASP 106 Ca 0.62 0.95 -0.18 0.00 0.43 0.00 0.00 52.55 54.37 3mhf s ASP 106 Cb -0.24 1.27 -0.03 0.00 -0.30 0.00 0.00 42.92 43.62 3mhf s ASP 106 CO 0.29 -0.23 1.14 0.00 -0.17 0.00 0.00 175.17 176.20 3mhf n LEU 108 N -1.79 3.24 -0.22 0.00 4.77 -0.17 -4.62 117.00 118.21 3mhf n LEU 108 Ca 0.11 1.13 0.01 0.00 -0.03 0.00 0.00 56.01 57.23 3mhf n LEU 108 Cb 0.51 -1.45 0.12 0.00 -2.33 0.00 0.00 43.42 40.28 3mhf n LEU 108 CO 0.45 -0.38 1.02 0.44 -1.33 0.00 0.00 177.39 177.59 3mhf h ASP 109 N 4.63 0.33 -0.68 -1.43 3.32 -1.93 -2.43 116.42 118.23 3mhf h ASP 109 Ca -0.45 0.07 -0.31 0.00 0.02 0.00 0.00 57.03 56.37 3mhf h ASP 109 Cb 1.27 0.03 -0.18 0.00 0.22 0.00 0.00 39.33 40.66 3mhf h ASP 109 CO 0.79 0.19 0.29 1.33 -1.72 0.00 0.00 179.24 180.11 3mhf n VAL 110 N -4.94 2.87 -4.43 -1.35 0.24 -1.26 -4.96 118.33 104.50 3mhf n VAL 110 Ca 0.10 -2.12 -0.25 0.00 -2.04 0.00 0.00 64.34 60.03 3mhf n VAL 110 Cb 0.28 -0.38 -0.11 0.00 -1.47 0.00 0.00 33.84 32.16 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 -3.18 2.21 0.17 6.34 0.52 -0.92 -5.05 118.94 119.03 3mhf s TRP 111 Ca 0.52 -0.37 -0.09 0.00 0.02 0.00 0.00 56.10 56.18 3mhf s TRP 111 Cb 0.44 -1.04 -0.01 0.00 -1.15 0.00 0.00 33.47 31.71 3mhf s TRP 111 CO 0.08 0.55 0.28 -1.54 0.02 0.00 0.00 176.95 176.34 3mhf s SER 112 N -3.01 0.05 0.27 2.95 1.04 -1.26 -4.83 113.70 108.91 3mhf s SER 112 Ca 0.24 -0.89 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 3mhf s SER 112 Cb -0.06 0.43 0.48 0.00 0.10 0.00 0.00 66.02 66.97 3mhf s SER 112 CO 0.11 -0.89 1.84 0.00 0.98 0.00 0.00 173.24 175.28 3mhf h ALA 113 N 2.55 1.40 -0.59 5.32 0.00 -1.96 -0.94 119.26 125.04 3mhf h ALA 113 Ca -0.32 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3mhf h ALA 113 Cb 1.23 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3mhf h ALA 113 CO 0.48 0.24 0.34 -0.22 0.00 0.00 0.00 179.25 180.10 3mhf h LYS 114 N 0.99 0.65 -0.18 0.00 3.64 -1.96 -1.02 116.57 118.69 3mhf h LYS 114 Ca 0.46 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.67 3mhf h LYS 114 Cb 0.38 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3mhf h LYS 114 CO -0.24 0.43 -0.45 0.00 -2.27 0.00 0.00 179.45 176.92 3mhf h ARG 115 N 0.67 0.44 -0.64 1.90 3.08 -1.73 -0.15 114.38 117.96 3mhf h ARG 115 Ca 0.24 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3mhf h ARG 115 Cb 0.07 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3mhf h ARG 115 CO -0.12 0.81 0.40 0.82 -1.07 0.00 0.00 179.97 180.81 3mhf h ILE 116 N 0.36 1.18 -0.50 2.04 2.04 -0.82 -0.55 117.51 121.25 3mhf h ILE 116 Ca 0.02 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3mhf h ILE 116 Cb 0.93 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3mhf h ILE 116 CO 0.08 0.18 0.19 0.50 0.00 0.00 0.00 178.15 179.10 3mhf h LYS 117 N 0.87 0.76 0.00 2.37 3.64 -0.90 -2.66 116.57 120.65 3mhf h LYS 117 Ca 0.23 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3mhf h LYS 117 Cb -0.05 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3mhf h LYS 117 CO -0.05 0.69 -0.18 0.93 -2.27 0.00 0.00 179.45 178.57 3mhf h GLU 118 N 0.68 0.00 0.00 1.90 5.08 -0.67 -0.43 114.58 121.14 3mhf h GLU 118 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3mhf h GLU 118 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3mhf h GLU 118 CO -0.01 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.18 3mhf n ALA 119 N -2.37 2.54 -0.42 3.43 0.00 -0.24 -4.88 120.51 118.57 3mhf n ALA 119 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3mhf n ALA 119 Cb 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.67 0.78 3.80 0.00 0.00 -0.17 -5.06 105.19 105.21 3mhf n GLY 120 Ca 0.10 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 3.00 -2.85 4.61 0.00 -1.06 -4.77 121.76 118.70 3mhf s ALA 121 Ca 0.00 0.58 0.24 0.00 0.00 0.00 0.00 51.96 52.77 3mhf s ALA 121 Cb 0.00 -3.23 0.26 0.00 0.00 0.00 0.00 23.12 20.15 3mhf s ALA 121 CO 0.00 -0.13 1.30 0.39 0.00 0.00 0.00 175.76 177.32 3mhf n GLU 122 N -0.49 2.38 -3.61 0.00 4.71 0.14 -4.65 120.64 119.13 3mhf n GLU 122 Ca 0.07 -2.04 -0.15 0.00 -0.01 0.00 0.00 57.16 55.03 3mhf n GLU 122 Cb 0.52 -1.48 -0.07 0.00 -1.01 0.00 0.00 31.44 29.40 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 -1.85 -1.64 -0.24 0.62 0.00 -1.13 -3.98 121.76 113.53 3mhf s ALA 123 Ca 0.31 1.60 -0.17 0.00 0.00 0.00 0.00 51.96 53.70 3mhf s ALA 123 Cb 0.21 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 3mhf s ALA 123 CO 0.31 -0.33 0.45 0.08 0.00 0.00 0.00 175.76 176.27 3mhf s VAL 124 N -0.28 5.13 -0.10 0.00 1.01 -0.09 -2.17 120.40 123.90 3mhf s VAL 124 Ca -0.05 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.68 3mhf s VAL 124 Cb -0.03 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3mhf s VAL 124 CO 0.04 0.16 0.00 -0.75 0.00 0.00 0.00 175.10 174.55 3mhf s LYS 125 N 1.91 3.11 -0.07 2.72 2.36 -0.58 -0.30 119.74 128.89 3mhf s LYS 125 Ca 0.20 -0.41 -0.03 0.00 -2.55 0.00 0.00 55.97 53.18 3mhf s LYS 125 Cb -0.15 -2.84 0.04 0.00 -1.05 0.00 0.00 37.83 33.83 3mhf s LYS 125 CO 0.09 0.64 0.14 0.12 1.55 0.00 0.00 175.35 177.89 3mhf s PHE 126 N -0.70 -0.15 -0.18 4.03 2.19 -0.46 -0.35 117.98 122.35 3mhf s PHE 126 Ca 0.11 0.51 -0.17 0.00 0.33 0.00 0.00 56.93 57.71 3mhf s PHE 126 Cb -0.12 -0.19 -0.04 0.00 -1.31 0.00 0.00 43.02 41.37 3mhf s PHE 126 CO 0.02 -0.21 0.45 -1.17 1.83 0.00 0.00 175.22 176.14 3mhf s LEU 127 N 1.70 4.18 -0.11 6.12 2.96 -1.26 -0.62 118.68 131.65 3mhf s LEU 127 Ca -0.03 0.63 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 3mhf s LEU 127 Cb -0.12 -2.60 0.00 0.00 0.50 0.00 0.00 46.19 43.97 3mhf s LEU 127 CO -0.06 -0.08 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.44 3mhf s LEU 128 N 1.22 2.14 -0.03 -0.68 2.96 0.58 -4.92 118.68 119.94 3mhf s LEU 128 Ca 0.22 -0.55 -0.25 0.00 -0.22 0.00 0.00 54.13 53.33 3mhf s LEU 128 Cb -0.15 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 3mhf s LEU 128 CO 0.09 0.15 0.75 -0.31 -1.32 0.00 0.00 176.35 175.71 3mhf s TYR 129 N 0.42 3.63 -0.03 5.38 1.51 -1.26 -1.65 117.35 125.34 3mhf s TYR 129 Ca -0.17 1.36 -0.01 0.00 -1.01 0.00 0.00 57.07 57.25 3mhf s TYR 129 Cb -0.17 -2.85 0.03 0.00 -0.11 0.00 0.00 41.96 38.85 3mhf s TYR 129 CO 0.07 0.12 0.04 -0.47 -1.11 0.00 0.00 175.55 174.20 3mhf s TYR 130 N 0.62 0.08 -0.39 2.71 5.04 -0.40 -4.94 117.35 120.08 3mhf s TYR 130 Ca 0.40 0.16 -0.02 0.00 -2.44 0.00 0.00 57.07 55.16 3mhf s TYR 130 Cb -0.19 -0.36 0.10 0.00 0.35 0.00 0.00 41.96 41.86 3mhf s TYR 130 CO 0.21 -0.14 0.16 0.34 -1.34 0.00 0.00 175.55 174.78 3mhf s ASP 131 N 1.49 5.17 0.52 4.32 2.15 -1.26 -3.06 116.67 126.00 3mhf s ASP 131 Ca -0.04 -1.91 0.23 0.00 0.43 0.00 0.00 52.55 51.26 3mhf s ASP 131 Cb -0.13 -1.80 1.33 0.00 -0.30 0.00 0.00 42.92 42.03 3mhf s ASP 131 CO -0.03 -0.48 2.01 -0.29 -0.17 0.00 0.00 175.17 176.21 3mhf h ILE 132 N 6.39 0.79 -0.12 4.11 6.09 -1.85 0.47 117.51 133.39 3mhf h ILE 132 Ca -0.14 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 3mhf h ILE 132 Cb 1.05 0.73 0.00 0.00 0.47 0.00 0.00 36.82 39.07 3mhf h ILE 132 CO 0.66 0.01 0.00 0.47 -3.07 0.00 0.00 178.15 176.22 3mhf n ASP 133 N -4.41 1.84 -2.16 2.19 8.00 -1.26 -4.96 116.55 115.78 3mhf n ASP 133 Ca 0.08 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.91 3mhf n ASP 133 Cb 0.51 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 3mhf n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mhf n GLY 134 N 1.19 -0.74 3.68 0.44 0.00 0.15 -4.94 105.19 104.97 3mhf n GLY 134 Ca 0.17 -1.71 -0.49 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.33 3.18 -0.00 1.61 -0.08 -1.26 -4.87 116.55 112.80 3mhf n ASP 135 Ca 0.00 1.02 -0.00 0.00 -1.51 0.00 0.00 54.79 54.29 3mhf n ASP 135 Cb 0.00 -1.35 0.29 0.00 2.34 0.00 0.00 41.12 42.40 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 7.98 0.53 -0.16 -0.67 4.20 -1.96 -1.49 115.11 123.54 3mhf h GLN 136 Ca -0.47 -0.11 -0.18 0.00 0.06 0.00 0.00 58.65 57.94 3mhf h GLN 136 Cb 1.27 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 3mhf h GLN 136 CO 0.93 0.56 -0.64 -0.44 -0.67 0.00 0.00 178.83 178.57 3mhf h ASP 137 N 0.51 0.68 -0.58 1.46 3.32 -1.99 -0.94 116.42 118.88 3mhf h ASP 137 Ca 0.11 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 3mhf h ASP 137 Cb 0.33 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3mhf h ASP 137 CO 0.01 1.15 0.36 0.58 -1.72 0.00 0.00 179.24 179.61 3mhf h VAL 138 N 0.44 1.17 -0.05 -1.35 2.07 -1.86 -2.29 116.25 114.37 3mhf h VAL 138 Ca -0.01 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 3mhf h VAL 138 Cb 1.21 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3mhf h VAL 138 CO 0.12 0.17 -0.52 0.78 0.02 0.00 0.00 177.57 178.15 3mhf h ASN 139 N 0.79 0.16 -0.75 0.57 2.35 -1.14 -1.44 115.58 116.11 3mhf h ASN 139 Ca 0.21 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3mhf h ASN 139 Cb -0.03 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 3mhf h ASN 139 CO -0.04 0.65 0.42 -0.08 -1.65 0.00 0.00 177.43 176.73 3mhf h GLU 140 N 0.11 1.05 -0.55 0.81 4.57 -1.02 0.31 114.58 119.86 3mhf h GLU 140 Ca 0.00 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 57.97 3mhf h GLU 140 Cb 0.96 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.32 3mhf h GLU 140 CO 0.08 0.77 -0.03 0.37 -1.18 0.00 0.00 179.01 179.02 3mhf h GLN 141 N 1.04 0.99 -0.22 1.92 4.15 -1.01 -1.69 115.11 120.30 3mhf h GLN 141 Ca 0.27 -0.33 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3mhf h GLN 141 Cb 0.03 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3mhf h GLN 141 CO -0.04 1.01 0.11 0.87 -1.93 0.00 0.00 178.83 178.85 3mhf h LYS 142 N 0.87 0.31 -0.58 1.69 1.57 -0.97 -1.67 116.57 117.79 3mhf h LYS 142 Ca 0.15 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3mhf h LYS 142 Cb 0.58 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 3mhf h LYS 142 CO 0.03 0.31 0.35 0.87 -0.57 0.00 0.00 179.45 180.44 3mhf h LYS 143 N 0.23 0.79 -0.95 3.15 1.57 -0.87 -1.02 116.57 119.48 3mhf h LYS 143 Ca 0.08 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3mhf h LYS 143 Cb 0.10 -0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 3mhf h LYS 143 CO -0.01 0.58 0.62 0.00 -0.57 0.00 0.00 179.45 180.07 3mhf h ALA 144 N 1.17 1.42 -0.41 3.86 0.00 -1.18 -0.84 119.26 123.29 3mhf h ALA 144 Ca 0.21 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3mhf h ALA 144 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3mhf h ALA 144 CO -0.04 0.47 -0.29 -0.92 0.00 0.00 0.00 179.25 178.46 3mhf h TYR 145 N 1.15 1.04 -0.20 0.00 3.20 -0.44 -2.35 116.97 119.36 3mhf h TYR 145 Ca 0.39 -0.27 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 3mhf h TYR 145 Cb 0.09 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3mhf h TYR 145 CO -0.00 1.07 -0.46 0.82 -1.64 0.00 0.00 178.16 177.94 3mhf h ILE 146 N 0.75 1.31 -0.67 1.81 1.08 -0.87 -2.68 117.51 118.24 3mhf h ILE 146 Ca 0.08 -1.67 0.06 0.00 -0.39 0.00 0.00 64.86 62.95 3mhf h ILE 146 Cb 0.86 1.66 -0.06 0.00 -3.07 0.00 0.00 36.82 36.21 3mhf h ILE 146 CO 0.08 0.52 0.37 -0.33 -0.69 0.00 0.00 178.15 178.10 3mhf h GLU 147 N 0.42 0.67 -0.32 2.37 5.08 -0.86 -0.03 114.58 121.90 3mhf h GLU 147 Ca 0.03 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3mhf h GLU 147 Cb 0.97 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3mhf h GLU 147 CO 0.09 0.44 0.21 0.00 -1.00 0.00 0.00 179.01 178.74 3mhf h ARG 148 N 0.69 0.41 -0.43 2.33 3.08 -1.23 -0.89 114.38 118.34 3mhf h ARG 148 Ca 0.30 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.29 3mhf h ARG 148 Cb 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3mhf h ARG 148 CO -0.19 0.27 0.11 0.82 -1.07 0.00 0.00 179.97 179.91 3mhf h ILE 149 N 0.42 1.23 -0.56 2.04 2.04 -1.11 -0.34 117.51 121.23 3mhf h ILE 149 Ca 0.12 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 3mhf h ILE 149 Cb -0.03 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3mhf h ILE 149 CO -0.04 0.28 0.27 1.23 0.00 0.00 0.00 178.15 179.89 3mhf h GLY 150 N 0.56 0.83 0.92 5.37 0.00 -0.91 -1.46 103.07 108.38 3mhf h GLY 150 Ca 0.14 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 3mhf h GLY 150 CO 0.00 0.37 -0.13 1.76 0.00 0.00 0.00 176.54 178.53 3mhf h SER 151 N 0.78 0.66 -0.62 0.19 0.02 -0.75 -1.75 113.55 112.08 3mhf h SER 151 Ca 0.19 -0.40 0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3mhf h SER 151 Cb 0.08 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.36 3mhf h SER 151 CO -0.03 0.91 0.20 -0.33 -1.14 0.00 0.00 176.83 176.45 3mhf h GLU 152 N 0.40 0.35 -0.04 3.45 5.08 -0.53 -1.03 114.58 122.26 3mhf h GLU 152 Ca 0.07 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3mhf h GLU 152 Cb 0.65 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3mhf h GLU 152 CO 0.04 0.23 -0.51 0.00 -1.00 0.00 0.00 179.01 177.78 3mhf h ARG 154 N 0.08 0.53 -0.30 0.00 2.43 -0.74 0.40 114.38 116.79 3mhf h ARG 154 Ca 0.00 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3mhf h ARG 154 Cb 0.93 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3mhf h ARG 154 CO 0.07 0.61 0.10 0.00 -1.51 0.00 0.00 179.97 179.24 3mhf h ALA 155 N 0.89 0.39 -0.00 2.80 0.00 -0.77 -2.83 119.26 119.75 3mhf h ALA 155 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mhf h ALA 155 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mhf h ALA 155 CO 0.01 0.02 -0.04 0.39 0.00 0.00 0.00 179.25 179.62 3mhf n GLU 156 N -4.70 0.60 -3.55 0.00 -0.58 0.22 -4.92 120.64 107.71 3mhf n GLU 156 Ca -0.02 -0.10 -0.20 0.00 -0.42 0.00 0.00 57.16 56.43 3mhf n GLU 156 Cb 0.16 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.59 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 -1.12 -2.32 -3.95 1.62 2.03 0.03 -5.01 116.55 107.84 3mhf n ASP 157 Ca 0.15 -0.74 -0.19 0.00 0.52 0.00 0.00 54.79 54.54 3mhf n ASP 157 Cb 0.24 -4.55 -0.15 0.00 -0.72 0.00 0.00 41.12 35.94 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 -3.51 0.56 0.37 5.18 2.07 -0.57 -4.26 121.20 121.04 3mhf s ILE 158 Ca 0.08 -0.22 -0.28 0.00 -1.41 0.00 0.00 60.65 58.81 3mhf s ILE 158 Cb -0.02 -0.52 -0.11 0.00 0.13 0.00 0.00 42.46 41.94 3mhf s ILE 158 CO 0.78 0.19 1.47 -2.65 -1.91 0.00 0.00 174.94 172.82 3mhf n PRO 159 N 3.44 2.62 -3.50 3.50 -0.02 -1.26 -4.62 135.00 135.16 3mhf n PRO 159 Ca -0.19 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 3mhf n PRO 159 Cb 0.54 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 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 -1.08 3.25 -0.40 6.00 5.36 -1.26 -0.92 117.98 128.93 3mhf s PHE 160 Ca 0.54 -0.77 -0.16 0.00 -0.96 0.00 0.00 56.93 55.58 3mhf s PHE 160 Cb -0.49 -2.60 0.01 0.00 -0.34 0.00 0.00 43.02 39.60 3mhf s PHE 160 CO 0.63 -0.64 0.40 0.71 -1.46 0.00 0.00 175.22 174.86 3mhf s TYR 161 N 1.63 3.19 -0.30 10.12 1.51 0.59 -0.87 117.35 133.23 3mhf s TYR 161 Ca 0.04 -0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 55.70 3mhf s TYR 161 Cb -0.20 -2.79 -0.04 0.00 -0.11 0.00 0.00 41.96 38.83 3mhf s TYR 161 CO 0.08 -0.61 0.20 -1.17 -1.11 0.00 0.00 175.55 172.94 3mhf s LEU 162 N 2.05 4.15 -0.12 -1.29 2.96 -0.18 -1.36 118.68 124.89 3mhf s LEU 162 Ca 0.11 -0.19 -0.18 0.00 -0.22 0.00 0.00 54.13 53.65 3mhf s LEU 162 Cb -0.17 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3mhf s LEU 162 CO 0.13 -0.12 0.49 -0.70 -1.32 0.00 0.00 176.35 174.82 3mhf s GLU 163 N 1.73 4.34 -0.19 1.98 2.12 0.21 -0.68 118.70 128.22 3mhf s GLU 163 Ca 0.06 0.47 -0.02 0.00 0.36 0.00 0.00 54.97 55.84 3mhf s GLU 163 Cb -0.16 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.79 3mhf s GLU 163 CO 0.10 0.15 -0.09 0.42 -0.54 0.00 0.00 175.26 175.30 3mhf s ILE 164 N 0.63 3.04 -0.19 -3.70 1.01 -0.35 -0.31 121.20 121.34 3mhf s ILE 164 Ca 0.26 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 3mhf s ILE 164 Cb -0.15 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 3mhf s ILE 164 CO 0.11 0.47 -0.06 -0.76 0.00 0.00 0.00 174.94 174.69 3mhf s LEU 165 N 1.19 2.94 0.43 2.97 1.43 -0.66 -4.22 118.68 122.77 3mhf s LEU 165 Ca 0.02 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3mhf s LEU 165 Cb -0.14 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3mhf s LEU 165 CO -0.03 0.06 0.69 0.42 0.23 0.00 0.00 176.35 177.72 3mhf s THR 166 N 0.97 4.82 0.29 5.49 -4.23 -1.26 -1.27 115.64 120.44 3mhf s THR 166 Ca -0.00 -0.15 -0.20 0.00 -1.18 0.00 0.00 61.69 60.16 3mhf s THR 166 Cb -0.15 -3.80 0.05 0.00 1.34 0.00 0.00 72.50 69.94 3mhf s THR 166 CO 0.00 -0.66 0.84 -0.72 -0.54 0.00 0.00 174.62 173.54 3mhf s TYR 167 N -2.57 -0.01 -0.07 3.99 -0.85 -1.17 -4.87 117.35 111.79 3mhf s TYR 167 Ca 0.45 -0.50 0.02 0.00 -0.52 0.00 0.00 57.07 56.52 3mhf s TYR 167 Cb -0.10 0.75 0.01 0.00 0.38 0.00 0.00 41.96 43.00 3mhf s TYR 167 CO 0.41 -1.26 -0.14 0.34 -1.52 0.00 0.00 175.55 173.38 3mhf s ASP 168 N -3.06 1.99 0.56 -0.18 -1.08 -1.26 -4.28 116.67 109.36 3mhf s ASP 168 Ca 0.15 -0.34 0.29 0.00 -0.52 0.00 0.00 52.55 52.13 3mhf s ASP 168 Cb -0.04 -0.92 1.47 0.00 -1.46 0.00 0.00 42.92 41.96 3mhf s ASP 168 CO 0.08 0.05 1.91 -0.33 0.52 0.00 0.00 175.17 177.40 3mhf h GLU 169 N 6.96 0.00 -0.05 4.34 5.08 -1.96 -2.05 114.58 126.90 3mhf h GLU 169 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3mhf h GLU 169 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3mhf h GLU 169 CO 0.47 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.11 3mhf n LYS 170 N -3.99 1.02 -4.00 2.33 5.02 -1.26 -4.87 118.16 112.42 3mhf n LYS 170 Ca 0.11 -1.37 -0.34 0.00 -2.02 0.00 0.00 58.31 54.70 3mhf n LYS 170 Cb 0.74 -1.26 -0.15 0.00 -0.02 0.00 0.00 35.03 34.34 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 -1.11 2.57 0.04 -0.18 1.01 -0.77 -5.00 121.20 117.77 3mhf s ILE 171 Ca 0.17 -1.27 0.19 0.00 0.00 0.00 0.00 60.65 59.74 3mhf s ILE 171 Cb 0.11 -2.37 0.14 0.00 0.01 0.00 0.00 42.46 40.35 3mhf s ILE 171 CO 0.17 0.12 1.66 0.00 0.00 0.00 0.00 174.94 176.89 3mhf h ALA 172 N 7.93 0.89 -3.81 9.38 0.00 -1.89 -3.39 119.26 128.36 3mhf h ALA 172 Ca -0.28 -0.34 -0.66 0.00 0.00 0.00 0.00 54.91 53.63 3mhf h ALA 172 Cb 1.08 -0.06 -0.38 0.00 0.00 0.00 0.00 17.79 18.44 3mhf h ALA 172 CO 0.54 0.46 -0.78 0.34 0.00 0.00 0.00 179.25 179.81 3mhf s ASP 173 N -6.37 4.46 0.49 0.00 -1.08 -1.26 -4.97 116.67 107.93 3mhf s ASP 173 Ca 0.02 -1.53 0.32 0.00 -0.52 0.00 0.00 52.55 50.84 3mhf s ASP 173 Cb 0.10 -1.53 1.42 0.00 -1.46 0.00 0.00 42.92 41.45 3mhf s ASP 173 CO 0.69 -0.23 1.96 -0.55 0.52 0.00 0.00 175.17 177.56 3mhf h ASN 174 N 7.76 0.00 0.15 -0.34 -1.07 -1.97 -2.01 115.58 118.09 3mhf h ASN 174 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.21 3mhf h ASN 174 Cb 1.04 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.29 3mhf h ASN 174 CO 0.47 0.00 -0.05 0.00 0.07 0.00 0.00 177.43 177.92 3mhf n ALA 175 N -2.00 2.70 -1.48 4.14 0.00 -1.26 -4.47 120.51 118.14 3mhf n ALA 175 Ca 0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 3mhf n ALA 175 Cb 0.24 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.20 5.13 0.40 0.00 1.04 -0.76 -4.90 113.70 112.41 3mhf s SER 176 Ca 0.37 1.75 0.10 0.00 0.48 0.00 0.00 55.95 58.64 3mhf s SER 176 Cb 0.21 -2.51 0.83 0.00 0.10 0.00 0.00 66.02 64.64 3mhf s SER 176 CO 0.41 -1.61 1.95 -0.65 0.98 0.00 0.00 173.24 174.31 3mhf h PRO 177 N -0.61 0.26 -0.14 4.02 0.11 -1.91 -1.43 132.00 132.31 3mhf h PRO 177 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3mhf h PRO 177 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3mhf h PRO 177 CO 0.55 0.35 0.09 1.49 -0.21 0.00 0.00 178.00 180.27 3mhf h GLU 178 N 0.26 0.18 -0.47 1.05 4.81 -1.92 -2.56 114.58 115.92 3mhf h GLU 178 Ca 0.06 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 3mhf h GLU 178 Cb 0.29 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3mhf h GLU 178 CO 0.01 0.13 -0.21 0.35 -0.73 0.00 0.00 179.01 178.56 3mhf h PHE 179 N 0.18 1.10 -0.99 0.92 3.57 -1.75 -3.00 116.94 116.97 3mhf h PHE 179 Ca 0.05 -0.26 0.21 0.00 3.53 0.00 0.00 57.97 61.50 3mhf h PHE 179 Cb -0.01 -0.26 -0.10 0.00 2.79 0.00 0.00 35.95 38.37 3mhf h PHE 179 CO -0.07 1.08 0.62 0.00 -2.23 0.00 0.00 178.31 177.71 3mhf h ALA 180 N 0.91 1.89 0.00 2.41 0.00 -1.01 0.11 119.26 123.57 3mhf h ALA 180 Ca 0.11 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3mhf h ALA 180 Cb 0.78 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3mhf h ALA 180 CO 0.06 -0.25 -0.23 0.87 0.00 0.00 0.00 179.25 179.70 3mhf h LYS 181 N 0.62 0.00 -0.02 0.00 1.57 -1.31 -2.92 116.57 114.51 3mhf h LYS 181 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 3mhf h LYS 181 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3mhf h LYS 181 CO -0.33 0.23 -0.02 1.33 -0.57 0.00 0.00 179.45 180.09 3mhf n VAL 182 N -3.49 0.00 -0.09 0.50 0.24 -0.09 -4.73 118.33 110.67 3mhf n VAL 182 Ca -0.00 -0.49 -0.08 0.00 -2.04 0.00 0.00 64.34 61.73 3mhf n VAL 182 Cb 0.40 1.30 -0.00 0.00 -1.47 0.00 0.00 33.84 34.06 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 2.79 0.33 -0.61 7.34 3.64 -0.67 -1.65 116.57 127.75 3mhf h LYS 183 Ca 0.00 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3mhf h LYS 183 Cb 0.61 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 3mhf h LYS 183 CO 0.00 0.22 0.31 0.00 -2.27 0.00 0.00 179.45 177.71 3mhf h ALA 184 N 1.16 0.80 -0.35 5.00 0.00 -1.73 0.32 119.26 124.46 3mhf h ALA 184 Ca 0.13 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3mhf h ALA 184 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3mhf h ALA 184 CO -0.09 -0.05 0.15 1.25 0.00 0.00 0.00 179.25 180.51 3mhf h HIS 185 N 0.57 0.26 -0.05 0.00 -0.00 -1.77 -0.39 115.15 113.77 3mhf h HIS 185 Ca 0.28 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.66 3mhf h HIS 185 Cb 0.22 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.56 3mhf h HIS 185 CO -0.10 0.13 0.02 0.87 -0.00 0.00 0.00 177.93 178.84 3mhf h LYS 186 N 0.31 0.08 0.13 5.26 1.79 -0.34 -2.33 116.57 121.47 3mhf h LYS 186 Ca 0.15 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3mhf h LYS 186 Cb 0.10 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3mhf h LYS 186 CO -0.14 0.21 -0.06 0.28 -1.08 0.00 0.00 179.45 178.66 3mhf h VAL 187 N -0.07 1.03 -0.19 0.50 2.07 -0.91 -2.58 116.25 116.09 3mhf h VAL 187 Ca 0.02 -0.70 -0.17 0.00 0.82 0.00 0.00 66.70 66.66 3mhf h VAL 187 Cb 0.16 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3mhf h VAL 187 CO -0.00 0.17 -0.58 0.78 0.02 0.00 0.00 177.57 177.95 3mhf h ASN 188 N -0.51 0.69 0.09 0.57 2.35 -1.13 -1.50 115.58 116.14 3mhf h ASN 188 Ca -0.02 -0.38 -0.17 0.00 -0.55 0.00 0.00 56.30 55.18 3mhf h ASN 188 Cb 0.40 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 3mhf h ASN 188 CO 0.03 1.12 -0.62 -0.33 -1.65 0.00 0.00 177.43 175.98 3mhf h GLU 189 N 0.46 0.52 -0.61 0.81 4.39 -1.53 -1.76 114.58 116.87 3mhf h GLU 189 Ca 0.00 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.33 3mhf h GLU 189 Cb 1.15 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.82 3mhf h GLU 189 CO 0.11 0.98 0.33 0.00 -1.16 0.00 0.00 179.01 179.27 3mhf h ALA 190 N 0.94 0.78 -0.87 3.43 0.00 -1.31 -1.59 119.26 120.64 3mhf h ALA 190 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3mhf h ALA 190 Cb 1.17 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3mhf h ALA 190 CO 0.11 0.30 0.48 0.52 0.00 0.00 0.00 179.25 180.66 3mhf h MET 191 N 0.83 1.20 -0.55 0.00 2.86 -1.16 -1.42 114.93 116.69 3mhf h MET 191 Ca 0.21 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3mhf h MET 191 Cb 0.05 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 3mhf h MET 191 CO -0.03 0.88 0.32 -0.22 1.06 0.00 0.00 176.91 178.92 3mhf h LYS 192 N 1.21 0.76 -0.08 1.72 3.64 -0.90 -1.04 116.57 121.87 3mhf h LYS 192 Ca 0.31 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3mhf h LYS 192 Cb 0.02 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3mhf h LYS 192 CO -0.05 0.56 0.03 0.28 -2.27 0.00 0.00 179.45 178.00 3mhf h VAL 193 N 0.74 1.17 -0.01 2.00 2.07 -1.02 -3.17 116.25 118.04 3mhf h VAL 193 Ca 0.20 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3mhf h VAL 193 Cb 0.01 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3mhf h VAL 193 CO -0.04 0.14 0.00 0.49 0.02 0.00 0.00 177.57 178.19 3mhf n PHE 194 N -4.92 0.01 1.31 1.57 3.72 -0.56 -2.04 117.46 116.54 3mhf n PHE 194 Ca -0.06 -0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.47 3mhf n PHE 194 Cb 0.13 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.17 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 -0.70 0.67 -4.78 4.37 7.64 -0.41 -4.68 113.62 115.74 3mhf n SER 195 Ca 0.22 -0.64 -0.41 0.00 1.01 0.00 0.00 58.87 59.05 3mhf n SER 195 Cb 0.16 0.01 -0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 -2.53 4.07 0.41 1.43 1.02 -0.87 -4.88 119.74 118.40 3mhf s LYS 196 Ca 0.26 2.50 0.16 0.00 0.02 0.00 0.00 55.97 58.91 3mhf s LYS 196 Cb 0.20 -2.93 1.04 0.00 -0.52 0.00 0.00 37.83 35.62 3mhf s LYS 196 CO 0.50 -0.54 1.87 1.49 -0.92 0.00 0.00 175.35 177.76 3mhf h GLU 197 N 2.94 0.43 0.00 1.68 4.81 -1.91 -1.98 114.58 120.56 3mhf h GLU 197 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3mhf h GLU 197 Cb 1.24 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3mhf h GLU 197 CO 0.64 0.29 0.00 0.07 -0.73 0.00 0.00 179.01 179.27 3mhf h ARG 198 N 0.44 0.00 0.00 1.92 0.11 -1.95 -2.35 114.38 112.55 3mhf h ARG 198 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 3mhf h ARG 198 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 3mhf h ARG 198 CO -0.17 0.00 -0.58 1.19 0.10 0.00 0.00 179.97 180.51 3mhf n PHE 199 N -2.32 0.16 -1.62 4.08 3.72 -0.74 -4.66 117.46 116.09 3mhf n PHE 199 Ca 0.00 0.05 -0.14 0.00 -0.05 0.00 0.00 57.45 57.30 3mhf n PHE 199 Cb 0.13 -0.37 -0.05 0.00 -0.94 0.00 0.00 39.48 38.25 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 1.45 1.08 3.73 1.37 0.00 -0.89 -3.98 105.19 107.95 3mhf n GLY 200 Ca 0.05 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.58 3.96 -0.20 1.61 1.01 -1.26 -4.64 120.40 118.30 3mhf s VAL 201 Ca 0.00 1.64 0.02 0.00 0.00 0.00 0.00 61.98 63.64 3mhf s VAL 201 Cb 0.00 -4.05 -0.21 0.00 0.00 0.00 0.00 36.38 32.12 3mhf s VAL 201 CO 0.00 0.26 0.03 0.47 0.00 0.00 0.00 175.10 175.86 3mhf n ASP 202 N 2.64 1.69 -3.81 3.32 8.00 -0.04 -4.96 116.55 123.37 3mhf n ASP 202 Ca 0.04 0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.41 3mhf n ASP 202 Cb 0.47 -0.33 -0.15 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.53 -0.03 -0.19 2.53 1.01 -0.87 -4.20 120.40 116.12 3mhf s VAL 203 Ca -0.26 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 3mhf s VAL 203 Cb 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.32 3mhf s VAL 203 CO 0.69 0.04 0.29 -0.76 0.00 0.00 0.00 175.10 175.37 3mhf s LEU 204 N 0.55 4.20 -0.33 3.92 1.43 -0.61 -1.01 118.68 126.82 3mhf s LEU 204 Ca -0.04 0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 3mhf s LEU 204 Cb -0.06 -2.36 -0.00 0.00 0.03 0.00 0.00 46.19 43.80 3mhf s LEU 204 CO -0.02 0.05 0.18 -0.75 0.23 0.00 0.00 176.35 176.04 3mhf s LYS 205 N 0.79 3.27 0.15 1.70 2.20 0.15 -0.47 119.74 127.53 3mhf s LYS 205 Ca 0.15 -0.77 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 3mhf s LYS 205 Cb -0.13 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 3mhf s LYS 205 CO 0.05 -0.48 -0.02 0.14 -0.36 0.00 0.00 175.35 174.68 3mhf s VAL 206 N 1.62 0.72 0.57 4.02 -7.23 -0.14 -1.21 120.40 118.75 3mhf s VAL 206 Ca 0.04 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 58.08 3mhf s VAL 206 Cb -0.17 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 3mhf s VAL 206 CO 0.07 -0.59 1.04 -1.61 -0.31 0.00 0.00 175.10 173.70 3mhf s GLU 207 N -3.88 3.51 0.48 4.82 2.02 -1.26 -1.69 118.70 122.70 3mhf s GLU 207 Ca 0.21 1.12 -0.23 0.00 0.02 0.00 0.00 54.97 56.09 3mhf s GLU 207 Cb 0.06 -2.06 -0.07 0.00 0.10 0.00 0.00 34.13 32.16 3mhf s GLU 207 CO 0.02 -0.65 1.31 0.14 0.02 0.00 0.00 175.26 176.10 3mhf s VAL 208 N -2.52 2.42 -2.01 2.63 -7.23 -1.26 -4.89 120.40 107.54 3mhf s VAL 208 Ca 0.62 0.34 0.07 0.00 -1.81 0.00 0.00 61.98 61.20 3mhf s VAL 208 Cb -0.14 -3.18 0.20 0.00 0.56 0.00 0.00 36.38 33.82 3mhf s VAL 208 CO 0.36 0.02 1.26 -0.81 -0.31 0.00 0.00 175.10 175.61 3mhf n PRO 209 N -0.53 1.07 -4.10 4.82 -0.04 -1.26 -4.76 135.00 130.19 3mhf n PRO 209 Ca 0.07 -0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 3mhf n PRO 209 Cb 0.45 -1.12 -0.12 0.00 -0.04 0.00 0.00 33.50 32.67 3mhf n PRO 209 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mhf s VAL 210 N -1.97 0.63 -0.80 0.52 1.01 -1.26 -2.62 120.40 115.91 3mhf s VAL 210 Ca 0.11 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 3mhf s VAL 210 Cb 0.05 -0.66 0.11 0.00 0.00 0.00 0.00 36.38 35.88 3mhf s VAL 210 CO 0.09 -0.29 1.03 0.21 0.00 0.00 0.00 175.10 176.14 3mhf s ASN 211 N -1.41 6.43 0.64 3.32 3.84 -1.26 -4.90 114.94 121.60 3mhf s ASN 211 Ca -0.07 -1.64 0.33 0.00 0.21 0.00 0.00 52.86 51.69 3mhf s ASN 211 Cb -0.09 -2.39 1.79 0.00 -0.55 0.00 0.00 41.25 40.01 3mhf s ASN 211 CO 0.01 -1.19 2.05 0.24 -2.79 0.00 0.00 177.10 175.42 3mhf h MET 212 N 9.10 0.00 0.00 0.43 2.86 -1.97 -0.39 114.93 124.97 3mhf h MET 212 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3mhf h MET 212 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3mhf h MET 212 CO 1.13 0.00 0.00 0.87 1.06 0.00 0.00 176.91 179.97 3mhf h LYS 213 N 0.00 0.00 -0.34 1.72 1.57 -1.90 -2.16 116.57 115.45 3mhf h LYS 213 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3mhf h LYS 213 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3mhf h LYS 213 CO -0.00 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.07 3mhf n PHE 214 N -2.52 0.74 -3.97 -1.35 3.01 -0.15 -3.98 117.46 109.23 3mhf n PHE 214 Ca -0.01 -0.65 -0.36 0.00 1.01 0.00 0.00 57.45 57.45 3mhf n PHE 214 Cb 0.13 -0.15 -0.08 0.00 -0.01 0.00 0.00 39.48 39.36 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 -1.75 5.11 -0.05 -4.37 1.01 -0.81 -0.54 120.40 119.00 3mhf s VAL 215 Ca 0.33 0.07 -0.38 0.00 0.00 0.00 0.00 61.98 61.99 3mhf s VAL 215 Cb 0.22 -3.25 -0.17 0.00 0.00 0.00 0.00 36.38 33.18 3mhf s VAL 215 CO 0.14 0.54 1.45 1.21 0.00 0.00 0.00 175.10 178.45 3mhf n GLU 216 N 2.68 1.02 0.00 2.72 4.07 0.17 -0.66 120.64 130.64 3mhf n GLU 216 Ca -0.18 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 3mhf n GLU 216 Cb 0.54 -2.01 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 3mhf n GLU 216 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mhf n GLY 217 N 3.01 2.70 0.03 8.31 0.00 -1.26 -4.49 105.19 113.49 3mhf n GLY 217 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 0.00 -2.34 1.61 3.01 0.05 -5.03 117.46 112.76 3mhf n PHE 218 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.10 3mhf n PHE 218 Cb 0.00 -0.33 -0.01 0.00 -0.01 0.00 0.00 39.48 39.13 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 -2.27 2.84 -0.07 4.37 0.00 0.17 -4.81 121.76 122.00 3mhf s ALA 219 Ca -0.04 0.80 0.13 0.00 0.00 0.00 0.00 51.96 52.85 3mhf s ALA 219 Cb 0.03 -3.34 -0.19 0.00 0.00 0.00 0.00 23.12 19.62 3mhf s ALA 219 CO 0.31 -0.59 0.18 -0.40 0.00 0.00 0.00 175.76 175.26 3mhf n ASP 220 N -0.89 1.85 0.00 0.00 5.68 -1.26 -5.00 116.55 116.94 3mhf n ASP 220 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 3mhf n ASP 220 Cb 0.50 1.24 0.00 0.00 -1.14 0.00 0.00 41.12 41.73 3mhf n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mhf n GLY 221 N 1.95 2.65 3.59 6.12 0.00 -1.26 -5.06 105.19 113.19 3mhf n GLY 221 Ca -0.11 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 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 1.34 -3.90 1.61 2.13 -1.26 -4.98 120.64 115.58 3mhf n GLU 222 Ca 0.00 0.47 -0.35 0.00 0.66 0.00 0.00 57.16 57.94 3mhf n GLU 222 Cb 0.00 -1.93 -0.14 0.00 0.27 0.00 0.00 31.44 29.64 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 -1.19 3.13 -0.09 6.31 1.01 -1.26 -4.60 120.40 123.70 3mhf s VAL 223 Ca 0.61 -1.10 0.15 0.00 0.00 0.00 0.00 61.98 61.63 3mhf s VAL 223 Cb -0.62 -2.68 -0.23 0.00 0.00 0.00 0.00 36.38 32.86 3mhf s VAL 223 CO 0.59 0.05 0.53 0.18 0.00 0.00 0.00 175.10 176.45 3mhf n LEU 224 N 4.69 0.64 -4.14 3.92 4.77 0.30 -4.95 117.00 122.23 3mhf n LEU 224 Ca -0.15 0.30 -0.20 0.00 -0.03 0.00 0.00 56.01 55.93 3mhf n LEU 224 Cb 0.46 0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.65 3mhf n LEU 224 CO 0.28 0.38 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.89 3mhf s PHE 225 N -2.63 1.21 0.77 -1.77 0.08 -0.79 -5.05 117.98 109.80 3mhf s PHE 225 Ca -0.06 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 3mhf s PHE 225 Cb 0.08 -0.72 0.06 0.00 -0.57 0.00 0.00 43.02 41.86 3mhf s PHE 225 CO 0.83 0.03 1.14 0.95 -0.10 0.00 0.00 175.22 178.07 3mhf s THR 226 N -0.86 2.48 0.27 0.64 -4.23 -1.26 -0.65 115.64 112.03 3mhf s THR 226 Ca 0.01 0.12 -0.04 0.00 -1.18 0.00 0.00 61.69 60.60 3mhf s THR 226 Cb -0.08 -3.15 0.22 0.00 1.34 0.00 0.00 72.50 70.84 3mhf s THR 226 CO 0.01 -0.19 1.90 0.11 -0.54 0.00 0.00 174.62 175.91 3mhf h LYS 227 N -0.89 1.12 -0.51 3.99 1.57 -1.94 -1.32 116.57 118.59 3mhf h LYS 227 Ca -0.46 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.13 3mhf h LYS 227 Cb 1.31 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 3mhf h LYS 227 CO 0.65 0.81 0.01 1.49 -0.57 0.00 0.00 179.45 181.84 3mhf h GLU 228 N 1.13 0.85 -0.08 3.15 4.57 -1.97 0.24 114.58 122.46 3mhf h GLU 228 Ca 0.29 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3mhf h GLU 228 Cb 0.01 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 3mhf h GLU 228 CO -0.05 0.84 0.02 0.93 -1.18 0.00 0.00 179.01 179.57 3mhf h GLU 229 N 0.79 0.13 -0.48 1.92 5.08 -1.83 -0.91 114.58 119.29 3mhf h GLU 229 Ca 0.15 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3mhf h GLU 229 Cb 0.46 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3mhf h GLU 229 CO 0.02 0.33 0.25 0.00 -1.00 0.00 0.00 179.01 178.62 3mhf h ALA 230 N 0.80 0.61 -0.88 3.43 0.00 -0.95 -2.17 119.26 120.09 3mhf h ALA 230 Ca 0.03 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3mhf h ALA 230 Cb 0.26 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3mhf h ALA 230 CO 0.00 -0.08 0.58 0.00 0.00 0.00 0.00 179.25 179.75 3mhf h ALA 231 N 1.24 1.42 0.00 0.00 0.00 -0.41 -1.44 119.26 120.08 3mhf h ALA 231 Ca 0.20 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3mhf h ALA 231 Cb 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3mhf h ALA 231 CO -0.13 0.50 -0.33 0.37 0.00 0.00 0.00 179.25 179.67 3mhf h GLN 232 N 1.13 0.00 -0.23 0.00 5.75 -0.55 -1.92 115.11 119.29 3mhf h GLN 232 Ca 0.34 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.74 3mhf h GLN 232 Cb -0.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3mhf h GLN 232 CO -0.10 0.33 -0.30 0.00 -2.65 0.00 0.00 178.83 176.11 3mhf h ALA 233 N 1.67 1.06 -0.39 3.38 0.00 -0.78 -0.21 119.26 123.98 3mhf h ALA 233 Ca -0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 3mhf h ALA 233 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3mhf h ALA 233 CO 0.04 0.58 -0.24 0.74 0.00 0.00 0.00 179.25 180.37 3mhf h PHE 234 N 0.40 1.00 -0.36 0.00 0.04 -1.16 -1.25 116.94 115.61 3mhf h PHE 234 Ca 0.05 -0.26 -0.08 0.00 2.80 0.00 0.00 57.97 60.48 3mhf h PHE 234 Cb 0.73 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 3mhf h PHE 234 CO 0.02 1.05 -0.09 0.00 -0.60 0.00 0.00 178.31 178.69 3mhf h ARG 235 N 0.66 0.62 -0.55 1.51 3.08 -1.13 -1.03 114.38 117.54 3mhf h ARG 235 Ca 0.08 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3mhf h ARG 235 Cb 0.81 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 3mhf h ARG 235 CO 0.07 0.70 0.08 -0.44 -1.07 0.00 0.00 179.97 179.31 3mhf h ASP 236 N 0.57 0.89 -0.11 7.04 3.32 -0.96 -0.64 116.42 126.53 3mhf h ASP 236 Ca 0.11 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3mhf h ASP 236 Cb 0.50 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3mhf h ASP 236 CO 0.03 0.93 0.07 -0.61 -1.72 0.00 0.00 179.24 177.93 3mhf h GLN 237 N 0.81 0.14 -0.71 3.56 4.15 -0.90 -1.42 115.11 120.75 3mhf h GLN 237 Ca 0.17 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.65 3mhf h GLN 237 Cb 0.43 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 3mhf h GLN 237 CO 0.01 0.09 0.47 1.49 -1.93 0.00 0.00 178.83 178.96 3mhf h GLU 238 N 0.14 0.70 -0.00 1.69 4.57 -1.06 -0.31 114.58 120.31 3mhf h GLU 238 Ca 0.04 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3mhf h GLU 238 Cb -0.01 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 3mhf h GLU 238 CO -0.02 0.46 -0.00 0.00 -1.18 0.00 0.00 179.01 178.27 3mhf n ALA 239 N -2.45 2.65 0.64 2.92 0.00 -0.26 -3.59 120.51 120.42 3mhf n ALA 239 Ca 0.10 -0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3mhf n ALA 239 Cb 0.24 -1.50 0.10 0.00 0.00 0.00 0.00 19.45 18.29 3mhf n ALA 239 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mhf n SER 240 N -1.02 0.63 -3.69 0.00 3.41 -0.13 -4.95 113.62 107.89 3mhf n SER 240 Ca 0.22 -0.13 -0.14 0.00 -0.26 0.00 0.00 58.87 58.56 3mhf n SER 240 Cb 0.14 0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 64.54 3mhf n SER 240 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3mhf s THR 241 N -3.15 0.04 -1.59 6.66 -1.32 -1.24 -3.69 115.64 111.35 3mhf s THR 241 Ca 0.06 -0.37 0.15 0.00 -1.21 0.00 0.00 61.69 60.32 3mhf s THR 241 Cb 0.15 -0.77 0.29 0.00 -1.51 0.00 0.00 72.50 70.65 3mhf s THR 241 CO 0.76 -0.20 1.19 -0.67 -2.21 0.00 0.00 174.62 173.49 3mhf n ASP 242 N 1.03 2.83 -4.85 8.08 2.03 -1.26 -4.91 116.55 119.50 3mhf n ASP 242 Ca -0.20 -1.84 -0.32 0.00 0.52 0.00 0.00 54.79 52.95 3mhf n ASP 242 Cb 0.57 -0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.76 3mhf n ASP 242 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3mhf s LEU 243 N -1.13 3.66 0.37 -2.67 1.43 -1.26 -5.02 118.68 114.06 3mhf s LEU 243 Ca 0.26 1.51 -0.27 0.00 -1.03 0.00 0.00 54.13 54.59 3mhf s LEU 243 Cb 0.15 -4.44 -0.11 0.00 0.03 0.00 0.00 46.19 41.82 3mhf s LEU 243 CO 0.21 -0.56 1.34 -2.65 0.23 0.00 0.00 176.35 174.92 3mhf n PRO 244 N -1.52 2.21 -3.94 1.29 -0.02 -1.26 -4.89 135.00 126.87 3mhf n PRO 244 Ca 0.06 0.78 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 3mhf n PRO 244 Cb 0.54 -2.43 -0.11 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.13 0.18 0.08 6.00 -0.85 -1.26 -1.58 117.35 118.80 3mhf s TYR 245 Ca 0.56 -0.39 0.04 0.00 -0.52 0.00 0.00 57.07 56.77 3mhf s TYR 245 Cb -0.53 -0.14 -0.03 0.00 0.38 0.00 0.00 41.96 41.64 3mhf s TYR 245 CO 0.61 -0.21 -0.11 0.96 -1.52 0.00 0.00 175.55 175.28 3mhf s ILE 246 N -1.36 0.98 0.04 -3.49 -4.36 0.38 -0.38 121.20 113.01 3mhf s ILE 246 Ca -0.15 -1.47 -0.10 0.00 -0.26 0.00 0.00 60.65 58.67 3mhf s ILE 246 Cb -0.09 -1.18 -0.05 0.00 1.25 0.00 0.00 42.46 42.38 3mhf s ILE 246 CO -0.00 -0.42 0.36 -0.31 0.24 0.00 0.00 174.94 174.82 3mhf s TYR 247 N -1.90 3.61 0.16 1.37 2.02 -0.73 -0.96 117.35 120.91 3mhf s TYR 247 Ca 0.01 0.77 0.04 0.00 -0.37 0.00 0.00 57.07 57.52 3mhf s TYR 247 Cb -0.06 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 3mhf s TYR 247 CO 0.01 0.57 0.22 -0.48 -1.57 0.00 0.00 175.55 174.30 3mhf s LEU 248 N -1.69 4.09 -0.14 -1.29 0.05 -0.68 -1.44 118.68 117.59 3mhf s LEU 248 Ca 0.29 0.03 -0.06 0.00 0.05 0.00 0.00 54.13 54.44 3mhf s LEU 248 Cb -0.14 -2.68 -0.04 0.00 -2.05 0.00 0.00 46.19 41.28 3mhf s LEU 248 CO 0.16 0.06 0.09 -0.55 -0.55 0.00 0.00 176.35 175.56 3mhf s SER 249 N -3.18 5.90 -0.16 1.48 0.15 -1.26 -4.48 113.70 112.15 3mhf s SER 249 Ca 0.33 0.26 -0.19 0.00 0.70 0.00 0.00 55.95 57.04 3mhf s SER 249 Cb -0.11 -1.92 0.05 0.00 -1.71 0.00 0.00 66.02 62.34 3mhf s SER 249 CO 0.26 0.30 0.52 0.00 1.20 0.00 0.00 173.24 175.52 3mhf s ALA 250 N -0.40 -1.29 0.00 5.45 0.00 -1.26 -4.94 121.76 119.32 3mhf s ALA 250 Ca 0.10 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.38 3mhf s ALA 250 Cb -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.36 3mhf s ALA 250 CO 0.02 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3mhf n GLY 251 N 2.39 0.40 3.17 0.00 0.00 -1.26 -4.97 105.19 104.92 3mhf n GLY 251 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.08 0.88 0.73 1.61 -7.23 -1.26 -5.03 120.40 108.02 3mhf s VAL 252 Ca 0.00 -1.70 -0.12 0.00 -1.81 0.00 0.00 61.98 58.35 3mhf s VAL 252 Cb 0.00 -1.41 0.03 0.00 0.56 0.00 0.00 36.38 35.56 3mhf s VAL 252 CO 0.00 -0.63 1.10 -0.94 -0.31 0.00 0.00 175.10 174.32 3mhf s SER 253 N -2.57 4.73 0.28 4.85 1.04 -1.26 -4.80 113.70 115.97 3mhf s SER 253 Ca 0.07 1.90 0.02 0.00 0.48 0.00 0.00 55.95 58.42 3mhf s SER 253 Cb -0.01 -2.53 0.63 0.00 0.10 0.00 0.00 66.02 64.20 3mhf s SER 253 CO -0.01 -1.88 1.78 0.00 0.98 0.00 0.00 173.24 174.11 3mhf h ALA 254 N -0.67 1.50 -0.52 5.32 0.00 -1.99 -0.36 119.26 122.54 3mhf h ALA 254 Ca -0.45 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 3mhf h ALA 254 Cb 1.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3mhf h ALA 254 CO 0.52 -0.01 -0.14 -0.22 0.00 0.00 0.00 179.25 179.40 3mhf h LYS 255 N 0.76 1.02 -0.45 0.00 1.63 -1.99 -1.47 116.57 116.07 3mhf h LYS 255 Ca 0.52 -0.40 -0.11 0.00 -0.85 0.00 0.00 60.65 59.81 3mhf h LYS 255 Cb 0.73 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.29 3mhf h LYS 255 CO -0.35 1.08 -0.18 1.25 -3.45 0.00 0.00 179.45 177.80 3mhf h LEU 256 N 0.89 0.88 -0.38 5.20 5.85 -1.65 0.70 115.31 126.80 3mhf h LEU 256 Ca 0.13 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3mhf h LEU 256 Cb 0.72 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3mhf h LEU 256 CO 0.05 1.04 0.20 0.15 -0.34 0.00 0.00 178.44 179.54 3mhf h PHE 257 N 0.76 0.53 -0.70 1.25 3.57 -0.96 0.40 116.94 121.80 3mhf h PHE 257 Ca 0.11 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3mhf h PHE 257 Cb 0.71 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3mhf h PHE 257 CO 0.04 0.43 0.42 1.96 -2.23 0.00 0.00 178.31 178.92 3mhf h GLN 258 N 0.48 0.96 -0.33 1.11 4.20 -1.06 -0.57 115.11 119.89 3mhf h GLN 258 Ca 0.13 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3mhf h GLN 258 Cb 0.08 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3mhf h GLN 258 CO -0.02 0.68 0.04 -0.44 -0.67 0.00 0.00 178.83 178.43 3mhf h ASP 259 N 0.96 0.45 -0.51 1.46 3.32 -0.41 -2.29 116.42 119.41 3mhf h ASP 259 Ca 0.25 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3mhf h ASP 259 Cb -0.02 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3mhf h ASP 259 CO -0.05 0.49 -0.04 0.74 -1.72 0.00 0.00 179.24 178.66 3mhf h THR 260 N 0.48 1.27 -0.92 0.35 2.02 0.52 0.06 112.91 116.69 3mhf h THR 260 Ca 0.11 -1.15 0.03 0.00 0.77 0.00 0.00 66.41 66.16 3mhf h THR 260 Cb 0.25 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 3mhf h THR 260 CO 0.00 0.40 0.60 -0.07 0.37 0.00 0.00 175.52 176.83 3mhf h LEU 261 N 0.78 1.01 -0.30 2.58 3.38 -0.77 0.49 115.31 122.49 3mhf h LEU 261 Ca 0.14 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3mhf h LEU 261 Cb 0.58 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3mhf h LEU 261 CO 0.03 0.71 0.00 0.58 0.09 0.00 0.00 178.44 179.85 3mhf h VAL 262 N 1.18 1.26 -0.76 1.22 2.07 -1.13 -1.95 116.25 118.14 3mhf h VAL 262 Ca 0.36 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3mhf h VAL 262 Cb -0.05 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3mhf h VAL 262 CO -0.10 0.30 0.30 0.15 0.02 0.00 0.00 177.57 178.24 3mhf h PHE 263 N 0.31 1.15 -0.36 1.57 3.57 -0.39 -1.11 116.94 121.68 3mhf h PHE 263 Ca 0.08 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3mhf h PHE 263 Cb 0.43 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3mhf h PHE 263 CO 0.04 0.87 0.21 0.00 -2.23 0.00 0.00 178.31 177.20 3mhf h ALA 264 N 1.22 0.46 -0.62 2.41 0.00 0.09 -0.39 119.26 122.42 3mhf h ALA 264 Ca 0.25 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3mhf h ALA 264 Cb 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3mhf h ALA 264 CO -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 179.25 179.21 3mhf h ALA 265 N 1.08 0.87 -0.00 0.00 0.00 -1.09 -1.38 119.26 118.74 3mhf h ALA 265 Ca 0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3mhf h ALA 265 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3mhf h ALA 265 CO -0.02 0.67 -0.23 0.93 0.00 0.00 0.00 179.25 180.59 3mhf h GLU 266 N 0.98 0.01 0.00 0.00 5.08 -0.94 -2.79 114.58 116.93 3mhf h GLU 266 Ca 0.18 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3mhf h GLU 266 Cb 0.53 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3mhf h GLU 266 CO 0.03 0.24 0.00 0.77 -1.00 0.00 0.00 179.01 179.05 3mhf h SER 267 N 0.01 0.00 0.00 1.42 0.02 -0.58 -3.47 113.55 110.95 3mhf h SER 267 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mhf h SER 267 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3mhf h SER 267 CO 0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 3mhf n GLY 268 N 1.10 0.99 3.69 -3.77 0.00 -1.05 -4.59 105.19 101.56 3mhf n GLY 268 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 3.52 -0.97 4.61 0.00 -0.56 -4.91 121.76 121.44 3mhf s ALA 269 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 3mhf s ALA 269 Cb 0.00 -3.54 0.33 0.00 0.00 0.00 0.00 23.12 19.91 3mhf s ALA 269 CO 0.00 -0.76 1.80 1.63 0.00 0.00 0.00 175.76 178.43 3mhf n LYS 270 N 4.99 4.94 -1.52 0.00 4.76 -1.26 -4.34 118.16 125.72 3mhf n LYS 270 Ca 0.11 -4.52 -0.31 0.00 -2.87 0.00 0.00 58.31 50.72 3mhf n LYS 270 Cb 0.45 -2.43 0.06 0.00 -1.84 0.00 0.00 35.03 31.27 3mhf n LYS 270 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3mhf s PHE 271 N -4.25 2.83 -0.25 2.13 -0.12 -1.26 -4.66 117.98 112.40 3mhf s PHE 271 Ca 0.41 1.50 0.16 0.00 -0.05 0.00 0.00 56.93 58.95 3mhf s PHE 271 Cb 0.23 -3.00 0.42 0.00 -0.63 0.00 0.00 43.02 40.05 3mhf s PHE 271 CO -0.17 -1.50 1.32 0.09 -0.05 0.00 0.00 175.22 174.91 3mhf n ASN 272 N -3.07 3.31 0.00 1.98 4.13 0.49 -0.64 115.26 121.46 3mhf n ASN 272 Ca 0.09 -2.86 0.00 0.00 1.68 0.00 0.00 54.58 53.48 3mhf n ASN 272 Cb 0.53 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 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 -0.61 0.88 3.05 7.41 0.00 -1.26 -1.00 105.19 113.66 3mhf n GLY 273 Ca 0.18 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.13 0.17 -0.42 1.61 -7.23 -0.03 -1.77 120.40 110.60 3mhf s VAL 274 Ca 0.00 -1.41 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 3mhf s VAL 274 Cb 0.00 -0.99 0.12 0.00 0.56 0.00 0.00 36.38 36.07 3mhf s VAL 274 CO 0.00 -0.78 0.18 -0.22 -0.31 0.00 0.00 175.10 173.97 3mhf s LEU 275 N -2.30 3.56 0.03 1.32 0.20 -0.52 -2.03 118.68 118.95 3mhf s LEU 275 Ca -0.03 -2.46 0.04 0.00 0.69 0.00 0.00 54.13 52.38 3mhf s LEU 275 Cb 0.00 -1.32 -0.02 0.00 -0.43 0.00 0.00 46.19 44.43 3mhf s LEU 275 CO -0.06 -0.31 -0.13 0.00 -0.29 0.00 0.00 176.35 175.56 3mhf n GLY 277 N 1.96 -0.65 0.27 0.00 0.00 -1.26 -1.02 105.19 104.49 3mhf n GLY 277 Ca -0.18 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.19 -0.23 -0.33 1.61 0.63 -1.26 0.81 116.66 116.71 3mhf n ARG 278 Ca 0.00 1.01 0.29 0.00 -0.92 0.00 0.00 57.85 58.23 3mhf n ARG 278 Cb 0.00 -1.49 0.62 0.00 0.45 0.00 0.00 32.46 32.04 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 0.61 2.65 0.20 5.13 0.00 -1.97 0.18 119.26 126.07 3mhf h ALA 279 Ca 0.17 0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.76 3mhf h ALA 279 Cb 0.33 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.21 3mhf h ALA 279 CO -0.64 -1.04 -1.59 1.15 0.00 0.00 0.00 179.25 177.12 3mhf h THR 280 N 0.20 1.08 -0.00 0.00 2.02 0.03 -3.39 112.91 112.86 3mhf h THR 280 Ca 0.60 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 65.21 3mhf h THR 280 Cb 1.90 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 71.19 3mhf h THR 280 CO -0.18 0.82 -0.27 -2.67 0.37 0.00 0.00 175.52 173.59 3mhf n TRP 281 N -3.69 0.00 -0.22 3.16 4.27 -1.02 -4.57 117.44 115.38 3mhf n TRP 281 Ca -0.22 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.35 3mhf n TRP 281 Cb 1.06 0.00 0.02 0.00 -1.36 0.00 0.00 31.31 31.03 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 1.56 0.03 -0.03 -1.67 0.00 -0.84 -0.20 119.26 118.11 3mhf h ALA 282 Ca 0.00 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3mhf h ALA 282 Cb 0.29 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3mhf h ALA 282 CO 0.00 -0.64 0.13 0.78 0.00 0.00 0.00 179.25 179.52 3mhf h GLY 283 N -0.13 0.00 2.00 0.00 0.00 -1.85 -1.46 103.07 101.63 3mhf h GLY 283 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 3mhf h GLY 283 CO -0.71 0.00 -0.11 1.48 0.00 0.00 0.00 176.54 177.20 3mhf h SER 284 N 0.00 0.00 0.03 0.19 4.64 -1.37 -3.29 113.55 113.74 3mhf h SER 284 Ca 0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3mhf h SER 284 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3mhf h SER 284 CO -0.00 0.11 -0.01 0.58 -0.87 0.00 0.00 176.83 176.64 3mhf h VAL 285 N 0.00 1.04 -0.45 0.95 2.07 -1.35 0.22 116.25 118.74 3mhf h VAL 285 Ca -0.00 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3mhf h VAL 285 Cb 0.85 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 3mhf h VAL 285 CO 0.01 0.05 0.24 0.50 0.02 0.00 0.00 177.57 178.40 3mhf h LYS 286 N -0.13 0.47 -0.67 1.57 3.64 -1.74 -1.75 116.57 117.96 3mhf h LYS 286 Ca -0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3mhf h LYS 286 Cb 0.11 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3mhf h LYS 286 CO 0.01 0.31 0.27 0.28 -2.27 0.00 0.00 179.45 178.04 3mhf h VAL 287 N 0.48 1.24 -0.48 2.00 2.07 -1.56 -0.96 116.25 119.04 3mhf h VAL 287 Ca 0.19 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3mhf h VAL 287 Cb 0.07 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3mhf h VAL 287 CO -0.11 0.30 0.29 0.22 0.02 0.00 0.00 177.57 178.28 3mhf h TYR 288 N 0.95 0.64 -0.35 1.57 3.20 -0.25 0.21 116.97 122.93 3mhf h TYR 288 Ca 0.22 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.97 3mhf h TYR 288 Cb 0.21 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3mhf h TYR 288 CO 0.01 0.45 -0.25 0.82 -1.64 0.00 0.00 178.16 177.55 3mhf h ILE 289 N 0.65 1.29 0.08 1.81 1.08 -1.07 -2.30 117.51 119.04 3mhf h ILE 289 Ca 0.17 -1.40 -0.33 0.00 -0.39 0.00 0.00 64.86 62.92 3mhf h ILE 289 Cb -0.00 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 3mhf h ILE 289 CO -0.03 0.46 -1.78 -0.33 -0.69 0.00 0.00 178.15 175.78 3mhf h GLU 290 N 0.57 0.17 0.00 2.37 5.08 -1.09 -3.41 114.58 118.28 3mhf h GLU 290 Ca 0.07 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3mhf h GLU 290 Cb 0.81 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3mhf h GLU 290 CO 0.07 0.95 -0.71 0.39 -1.00 0.00 0.00 179.01 178.70 3mhf n GLU 291 N -3.33 2.87 0.00 2.33 1.02 0.70 -5.08 120.64 119.16 3mhf n GLU 291 Ca -0.23 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 3mhf n GLU 291 Cb 1.05 -0.92 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 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 1.63 0.94 0.45 0.62 0.00 -0.87 -4.51 105.19 103.45 3mhf n GLY 292 Ca 0.00 -2.10 -0.16 0.00 0.00 0.00 0.00 46.02 43.76 3mhf n GLY 292 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mhf h PRO 293 N 0.00 -0.90 -0.85 1.61 0.13 -1.88 -1.07 132.00 129.04 3mhf h PRO 293 Ca 0.00 0.06 0.16 0.00 -0.87 0.00 0.00 66.00 65.35 3mhf h PRO 293 Cb 0.00 0.20 -0.10 0.00 0.13 0.00 0.00 31.00 31.24 3mhf h PRO 293 CO 0.00 -0.60 0.42 0.37 -0.23 0.00 0.00 178.00 177.96 3mhf h GLN 294 N -0.93 0.55 -0.68 0.86 5.75 -1.97 0.54 115.11 119.23 3mhf h GLN 294 Ca -0.07 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 3mhf h GLN 294 Cb 0.79 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.17 3mhf h GLN 294 CO -0.02 0.37 0.43 0.00 -2.65 0.00 0.00 178.83 176.95 3mhf h ALA 295 N 1.58 0.89 -0.54 3.38 0.00 -1.75 -1.66 119.26 121.17 3mhf h ALA 295 Ca 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 3mhf h ALA 295 Cb 0.71 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3mhf h ALA 295 CO -0.39 0.19 0.30 0.00 0.00 0.00 0.00 179.25 179.36 3mhf h ALA 296 N 1.30 0.69 -0.52 0.00 0.00 0.13 -0.79 119.26 120.07 3mhf h ALA 296 Ca 0.28 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3mhf h ALA 296 Cb 0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 3mhf h ALA 296 CO -0.11 0.20 0.15 0.00 0.00 0.00 0.00 179.25 179.49 3mhf h ARG 297 N 0.72 0.30 -0.56 0.00 3.08 -0.54 -0.75 114.38 116.64 3mhf h ARG 297 Ca 0.19 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 3mhf h ARG 297 Cb 0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3mhf h ARG 297 CO -0.03 0.20 0.20 1.49 -1.07 0.00 0.00 179.97 180.76 3mhf h GLU 298 N 0.31 0.85 -0.39 0.04 4.57 -0.56 0.11 114.58 119.52 3mhf h GLU 298 Ca 0.26 -0.17 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 3mhf h GLU 298 Cb 0.32 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3mhf h GLU 298 CO -0.29 0.75 0.23 2.35 -1.18 0.00 0.00 179.01 180.87 3mhf h TRP 299 N 0.78 0.42 -0.84 0.92 7.01 -0.84 -2.48 115.95 120.92 3mhf h TRP 299 Ca 0.18 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 3mhf h TRP 299 Cb 0.24 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.12 3mhf h TRP 299 CO 0.01 0.25 0.39 -0.07 -2.79 0.00 0.00 178.44 176.23 3mhf h LEU 300 N 0.46 1.10 -1.00 0.65 3.38 -0.58 0.22 115.31 119.55 3mhf h LEU 300 Ca 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3mhf h LEU 300 Cb 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3mhf h LEU 300 CO -0.07 0.93 0.00 0.03 0.09 0.00 0.00 178.44 179.42 3mhf h ARG 301 N 1.20 0.00 0.00 1.13 3.08 -0.55 0.27 114.38 119.51 3mhf h ARG 301 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3mhf h ARG 301 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3mhf h ARG 301 CO -0.03 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.12 3mhf n THR 302 N -2.48 0.00 -0.20 2.04 -2.24 -0.80 -4.48 114.28 106.13 3mhf n THR 302 Ca 0.01 0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 3mhf n THR 302 Cb 0.23 -0.88 0.02 0.00 -2.10 0.00 0.00 70.33 67.60 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 1.04 0.21 -0.78 4.39 -0.81 -1.83 114.58 116.79 3mhf h GLU 303 Ca 0.00 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 3mhf h GLU 303 Cb 0.00 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3mhf h GLU 303 CO 0.00 1.06 -0.17 0.78 -1.16 0.00 0.00 179.01 179.52 3mhf h GLY 304 N 0.93 -0.39 0.95 -3.84 0.00 -1.04 -1.74 103.07 97.93 3mhf h GLY 304 Ca 0.15 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 3mhf h GLY 304 CO 0.04 -0.17 0.10 -2.75 0.00 0.00 0.00 176.54 173.76 3mhf h PHE 305 N -0.39 0.24 -0.95 5.60 3.57 -0.91 -1.61 116.94 122.50 3mhf h PHE 305 Ca -0.01 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.65 3mhf h PHE 305 Cb 0.35 -0.08 -0.10 0.00 2.79 0.00 0.00 35.95 38.91 3mhf h PHE 305 CO -0.12 0.22 0.55 -0.22 -2.23 0.00 0.00 178.31 176.52 3mhf h LYS 306 N 0.19 0.74 -0.15 1.11 3.64 -1.26 0.23 116.57 121.07 3mhf h LYS 306 Ca 0.06 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3mhf h LYS 306 Cb 0.06 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3mhf h LYS 306 CO -0.01 0.49 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.70 3mhf h ASN 307 N 0.76 0.31 0.28 4.20 2.35 -0.68 -2.51 115.58 120.30 3mhf h ASN 307 Ca 0.52 -0.38 -0.14 0.00 -0.55 0.00 0.00 56.30 55.76 3mhf h ASN 307 Cb 0.73 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3mhf h ASN 307 CO -0.35 0.62 -0.54 -0.29 -1.65 0.00 0.00 177.43 175.22 3mhf h ILE 308 N -0.01 1.36 -0.56 2.81 2.10 -0.77 -2.86 117.51 119.57 3mhf h ILE 308 Ca 0.04 -1.82 -0.03 0.00 1.08 0.00 0.00 64.86 64.12 3mhf h ILE 308 Cb 0.49 1.88 -0.02 0.00 -1.09 0.00 0.00 36.82 38.07 3mhf h ILE 308 CO 0.02 0.54 0.22 -0.78 -1.08 0.00 0.00 178.15 177.07 3mhf h ASP 309 N 0.21 0.78 -0.46 2.19 3.58 -0.54 0.02 116.42 122.20 3mhf h ASP 309 Ca 0.00 -0.17 -0.12 0.00 0.42 0.00 0.00 57.03 57.16 3mhf h ASP 309 Cb 1.02 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 3mhf h ASP 309 CO 0.09 0.73 -0.17 -0.33 -2.88 0.00 0.00 179.24 176.68 3mhf h GLU 310 N 0.77 0.95 -0.29 0.28 4.39 -1.37 -1.54 114.58 117.78 3mhf h GLU 310 Ca 0.19 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 3mhf h GLU 310 Cb 0.20 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3mhf h GLU 310 CO -0.02 1.04 0.14 1.25 -1.16 0.00 0.00 179.01 180.26 3mhf h LEU 311 N 0.84 0.38 -0.80 1.33 5.85 -1.31 -2.52 115.31 119.07 3mhf h LEU 311 Ca 0.12 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3mhf h LEU 311 Cb 0.72 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3mhf h LEU 311 CO 0.06 0.40 0.50 0.78 -0.34 0.00 0.00 178.44 179.84 3mhf h ASN 312 N 0.33 0.82 -0.69 1.25 2.35 -0.73 0.20 115.58 119.12 3mhf h ASN 312 Ca 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3mhf h ASN 312 Cb 0.12 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3mhf h ASN 312 CO -0.01 0.55 0.32 0.11 -1.65 0.00 0.00 177.43 176.75 3mhf h LYS 313 N 0.96 1.00 -0.05 0.81 1.57 -1.12 0.21 116.57 119.95 3mhf h LYS 313 Ca 0.33 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3mhf h LYS 313 Cb 0.07 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3mhf h LYS 313 CO -0.13 0.80 0.01 0.28 -0.57 0.00 0.00 179.45 179.84 3mhf h VAL 314 N 0.96 1.18 -0.88 0.50 2.07 -0.97 -2.83 116.25 116.28 3mhf h VAL 314 Ca 0.23 -0.53 0.14 0.00 0.82 0.00 0.00 66.70 67.36 3mhf h VAL 314 Cb 0.14 1.45 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 3mhf h VAL 314 CO -0.03 0.14 0.48 -0.07 0.02 0.00 0.00 177.57 178.12 3mhf h LEU 315 N -0.13 0.63 -2.36 2.57 3.38 -0.74 -0.96 115.31 117.70 3mhf h LEU 315 Ca 0.01 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3mhf h LEU 315 Cb 0.22 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3mhf h LEU 315 CO -0.00 0.29 0.03 -0.78 0.09 0.00 0.00 178.44 178.07 3mhf h ASP 316 N 0.71 0.00 -0.17 -0.43 3.58 -0.71 0.05 116.42 119.45 3mhf h ASP 316 Ca 0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 3mhf h ASP 316 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 3mhf h ASP 316 CO -0.33 0.00 0.00 2.29 -2.88 0.00 0.00 179.24 178.32 3mhf n LYS 317 N -3.96 1.75 0.00 0.28 2.85 -0.45 -4.72 118.16 113.91 3mhf n LYS 317 Ca -0.02 -1.58 0.00 0.00 -1.05 0.00 0.00 58.31 55.66 3mhf n LYS 317 Cb 0.11 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 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 0.45 0.00 -2.32 0.58 -2.24 -0.72 -5.07 114.28 104.97 3mhf n THR 318 Ca 0.08 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.52 3mhf n THR 318 Cb 0.33 -0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 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 -1.78 2.77 0.10 6.98 0.00 -0.07 -4.73 121.76 125.03 3mhf s ALA 319 Ca 0.00 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.64 3mhf s ALA 319 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3mhf s ALA 319 CO 0.00 -0.60 0.01 -1.12 0.00 0.00 0.00 175.76 174.05 3mhf s SER 320 N -2.10 5.07 0.17 0.00 0.01 0.19 -4.96 113.70 112.08 3mhf s SER 320 Ca 0.68 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 57.47 3mhf s SER 320 Cb -0.19 -1.22 -0.07 0.00 0.21 0.00 0.00 66.02 64.75 3mhf s SER 320 CO 0.26 0.17 0.98 -2.16 0.41 0.00 0.00 173.24 172.90 3mhf s PRO 321 N -2.38 4.73 0.48 12.44 0.04 -1.26 -4.00 135.00 145.05 3mhf s PRO 321 Ca 0.26 1.52 0.32 0.00 0.04 0.00 0.00 61.00 63.15 3mhf s PRO 321 Cb -0.12 -3.32 1.43 0.00 0.04 0.00 0.00 34.50 32.54 3mhf s PRO 321 CO 0.19 0.29 1.96 0.11 0.04 0.00 0.00 177.00 179.59 3mhf h TRP 322 N 4.94 0.00 0.00 0.56 5.08 -1.14 -3.31 115.95 122.08 3mhf h TRP 322 Ca -0.44 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.42 3mhf h TRP 322 Cb 1.21 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.33 3mhf h TRP 322 CO 0.63 0.00 0.10 0.25 -1.28 0.00 0.00 178.44 178.14 3mhf n THR 323 N -2.83 1.59 -0.81 0.12 -2.24 -1.26 -4.98 114.28 103.88 3mhf n THR 323 Ca 0.00 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3mhf n THR 323 Cb 0.23 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 3mhf n THR 323 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71