#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfh n SER 2 N 0.00 1.16 0.10 7.83 2.88 -1.22 -4.91 113.62 119.47 3mfh n SER 2 Ca 0.00 0.67 0.12 0.00 -1.33 0.00 0.00 58.87 58.33 3mfh n SER 2 Cb 0.00 -1.50 0.46 0.00 -0.75 0.00 0.00 64.21 62.42 3mfh n SER 2 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3mfh n LYS 3 N -2.57 0.20 -4.18 -1.46 5.02 -1.26 -4.70 118.16 109.20 3mfh n LYS 3 Ca 0.14 0.31 -0.23 0.00 -2.02 0.00 0.00 58.31 56.51 3mfh n LYS 3 Cb 0.50 -1.80 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 3mfh n LYS 3 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3mfh s PHE 4 N -3.20 2.95 0.26 2.13 0.40 -1.26 -5.02 117.98 114.25 3mfh s PHE 4 Ca 0.07 -0.14 0.08 0.00 -0.60 0.00 0.00 56.93 56.34 3mfh s PHE 4 Cb 0.11 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 3mfh s PHE 4 CO 0.47 0.55 0.11 0.95 0.70 0.00 0.00 175.22 178.00 3mfh s THR 5 N -2.12 3.94 0.24 0.64 -4.23 -1.26 -0.69 115.64 112.17 3mfh s THR 5 Ca 0.32 -1.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 3mfh s THR 5 Cb -0.08 -3.14 0.21 0.00 1.34 0.00 0.00 72.50 70.83 3mfh s THR 5 CO 0.22 -0.35 1.76 -0.50 -0.54 0.00 0.00 174.62 175.22 3mfh h TRP 6 N 1.66 0.67 -0.33 3.99 4.06 -1.39 -2.44 115.95 122.17 3mfh h TRP 6 Ca -0.46 0.03 0.07 0.00 2.06 0.00 0.00 58.89 60.59 3mfh h TRP 6 Cb 1.24 -0.18 -0.07 0.00 -1.00 0.00 0.00 29.16 29.16 3mfh h TRP 6 CO 0.61 0.18 -0.11 -0.22 -3.56 0.00 0.00 178.44 175.35 3mfh h LYS 7 N 0.59 -0.03 -0.49 0.49 3.64 -1.10 -0.08 116.57 119.60 3mfh h LYS 7 Ca 0.41 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 3mfh h LYS 7 Cb 0.52 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 3mfh h LYS 7 CO -0.33 -0.02 0.20 0.93 -2.27 0.00 0.00 179.45 177.96 3mfh h GLU 8 N -0.03 0.69 0.09 1.90 5.08 -1.78 -1.04 114.58 119.49 3mfh h GLU 8 Ca 0.16 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3mfh h GLU 8 Cb 0.28 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3mfh h GLU 8 CO -0.36 0.56 -0.04 1.25 -1.00 0.00 0.00 179.01 179.42 3mfh h LEU 9 N 0.69 -0.10 -1.59 1.33 5.85 -0.91 -3.29 115.31 117.29 3mfh h LEU 9 Ca 0.17 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3mfh h LEU 9 Cb 0.13 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3mfh h LEU 9 CO -0.02 0.45 0.04 0.40 -0.34 0.00 0.00 178.44 178.98 3mfh h ILE 10 N -0.71 1.11 0.00 4.05 2.04 -0.94 -1.92 117.51 121.15 3mfh h ILE 10 Ca -0.01 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3mfh h ILE 10 Cb 0.55 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3mfh h ILE 10 CO 0.02 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.31 3mfh n GLN 11 N -4.40 0.07 0.29 2.37 10.64 -0.40 -1.28 117.38 124.66 3mfh n GLN 11 Ca 0.00 0.38 0.14 0.00 -1.83 0.00 0.00 57.00 55.69 3mfh n GLN 11 Cb 0.16 -1.65 0.85 0.00 -0.86 0.00 0.00 30.24 28.73 3mfh n GLN 11 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 3mfh h LEU 12 N 0.00 0.00 -0.02 2.61 3.38 -1.44 -1.26 115.31 118.59 3mfh h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mfh h LEU 12 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3mfh h LEU 12 CO 0.00 0.03 -0.00 0.61 0.09 0.00 0.00 178.44 179.16 3mfh n GLY 13 N -1.23 -1.14 3.41 0.83 0.00 -0.40 -2.74 105.19 103.91 3mfh n GLY 13 Ca -0.03 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3mfh n GLY 13 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mfh s SER 14 N -2.32 5.44 0.41 1.61 0.15 -0.48 -4.91 113.70 113.59 3mfh s SER 14 Ca 0.37 -0.59 0.09 0.00 0.70 0.00 0.00 55.95 56.52 3mfh s SER 14 Cb 0.21 -1.97 0.90 0.00 -1.71 0.00 0.00 66.02 63.45 3mfh s SER 14 CO 0.42 -0.20 2.02 -0.65 1.20 0.00 0.00 173.24 176.03 3mfh h PRO 15 N 8.32 0.52 0.00 5.44 0.11 -1.85 0.14 132.00 144.68 3mfh h PRO 15 Ca -0.32 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.64 3mfh h PRO 15 Cb 1.14 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3mfh h PRO 15 CO 0.61 0.34 -0.59 0.66 -0.21 0.00 0.00 178.00 178.81 3mfh h SER 16 N 0.53 0.00 -0.00 -2.05 4.64 -1.93 -3.37 113.55 111.37 3mfh h SER 16 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3mfh h SER 16 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3mfh h SER 16 CO -0.06 0.59 -0.06 0.29 -0.87 0.00 0.00 176.83 176.73 3mfh n LYS 17 N -3.48 3.89 -0.32 4.77 5.02 -0.98 -4.75 118.16 122.31 3mfh n LYS 17 Ca 0.00 -0.22 0.07 0.00 -2.02 0.00 0.00 58.31 56.14 3mfh n LYS 17 Cb 0.68 -0.75 0.26 0.00 -0.02 0.00 0.00 35.03 35.20 3mfh n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mfh h ALA 18 N 0.31 1.57 -0.04 7.82 0.00 -0.63 -1.96 119.26 126.33 3mfh h ALA 18 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mfh h ALA 18 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3mfh h ALA 18 CO 0.00 0.23 0.06 0.10 0.00 0.00 0.00 179.25 179.65 3mfh h TYR 19 N 0.97 0.00 0.00 0.00 -0.00 -1.84 -2.62 116.97 113.48 3mfh h TYR 19 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.18 3mfh h TYR 19 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.13 3mfh h TYR 19 CO -0.00 0.00 -0.59 1.49 -0.00 0.00 0.00 178.16 179.06 3mfh h GLU 20 N 0.00 0.00 -6.82 0.10 4.81 -1.70 -3.44 114.58 107.52 3mfh h GLU 20 Ca 0.02 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.74 3mfh h GLU 20 Cb 0.14 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.55 3mfh h GLU 20 CO -0.00 0.00 0.49 0.45 -0.73 0.00 0.00 179.01 179.22 3mfh s SER 21 N -4.39 7.18 0.60 1.04 0.15 -0.99 -4.92 113.70 112.38 3mfh s SER 21 Ca 0.06 2.31 0.33 0.00 0.70 0.00 0.00 55.95 59.36 3mfh s SER 21 Cb 0.13 -2.63 1.94 0.00 -1.71 0.00 0.00 66.02 63.75 3mfh s SER 21 CO 0.72 -0.21 2.27 0.28 1.20 0.00 0.00 173.24 177.50 3mfh h SER 22 N 3.70 0.00 -0.03 5.45 0.02 -1.89 -1.32 113.55 119.48 3mfh h SER 22 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3mfh h SER 22 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3mfh h SER 22 CO 0.66 0.01 0.00 0.18 -1.14 0.00 0.00 176.83 176.55 3mfh n LEU 23 N -3.62 0.47 -4.54 5.07 4.77 -1.26 -4.90 117.00 112.99 3mfh n LEU 23 Ca -0.03 -0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.37 3mfh n LEU 23 Cb 0.10 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3mfh n LEU 23 CO 0.26 0.09 0.34 0.00 -1.33 0.00 0.00 177.39 176.75 3mfh n ALA 24 N -0.54 -0.55 -3.85 -1.18 0.00 -0.50 -4.88 120.51 109.01 3mfh n ALA 24 Ca 0.18 0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 3mfh n ALA 24 Cb 0.16 -1.95 -0.15 0.00 0.00 0.00 0.00 19.45 17.51 3mfh n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mfh s ILE 26 N 1.40 3.53 0.01 0.00 -1.09 -0.27 -1.07 121.20 123.70 3mfh s ILE 26 Ca 0.06 -1.05 0.06 0.00 -2.23 0.00 0.00 60.65 57.49 3mfh s ILE 26 Cb -0.18 -2.61 -0.02 0.00 -1.58 0.00 0.00 42.46 38.07 3mfh s ILE 26 CO -0.16 0.22 -0.20 0.00 -1.23 0.00 0.00 174.94 173.58 3mfh s ALA 27 N -1.14 1.67 -0.12 9.38 0.00 -0.28 -2.39 121.76 128.88 3mfh s ALA 27 Ca 0.20 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.26 3mfh s ALA 27 Cb -0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3mfh s ALA 27 CO 0.12 0.39 -0.18 -1.58 0.00 0.00 0.00 175.76 174.51 3mfh s HIS 28 N -0.58 2.69 -0.10 0.00 2.46 -0.38 -0.31 115.29 119.08 3mfh s HIS 28 Ca 0.07 -0.88 0.01 0.00 0.47 0.00 0.00 55.06 54.73 3mfh s HIS 28 Cb -0.08 -1.79 0.02 0.00 -0.13 0.00 0.00 32.58 30.60 3mfh s HIS 28 CO 0.00 -0.34 -0.11 0.42 -2.47 0.00 0.00 174.74 172.25 3mfh s ILE 29 N 0.40 1.16 -0.09 0.89 1.01 -0.04 -0.89 121.20 123.64 3mfh s ILE 29 Ca -0.14 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3mfh s ILE 29 Cb -0.17 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.20 3mfh s ILE 29 CO 0.06 0.38 -0.15 -0.62 0.00 0.00 0.00 174.94 174.62 3mfh s ASP 30 N 1.22 2.28 0.20 3.58 -1.08 -0.07 -1.58 116.67 121.21 3mfh s ASP 30 Ca -0.04 -0.39 -0.30 0.00 -0.52 0.00 0.00 52.55 51.30 3mfh s ASP 30 Cb -0.14 -1.02 -0.09 0.00 -1.46 0.00 0.00 42.92 40.21 3mfh s ASP 30 CO -0.03 0.02 1.41 -0.04 0.52 0.00 0.00 175.17 177.05 3mfh s MET 31 N 0.88 4.31 0.08 4.34 -1.94 -0.58 -1.37 119.30 125.01 3mfh s MET 31 Ca -0.09 2.19 -0.31 0.00 -1.71 0.00 0.00 55.69 55.77 3mfh s MET 31 Cb -0.15 -3.17 -0.06 0.00 2.01 0.00 0.00 34.83 33.45 3mfh s MET 31 CO 0.00 -0.40 1.24 -0.80 -0.01 0.00 0.00 175.02 175.06 3mfh s ASN 32 N 0.60 7.03 -1.42 3.03 0.02 -0.30 -4.00 114.94 119.89 3mfh s ASN 32 Ca 0.61 2.10 -0.05 0.00 -1.02 0.00 0.00 52.86 54.49 3mfh s ASN 32 Cb -0.39 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.30 3mfh s ASN 32 CO 0.37 -0.50 0.31 0.00 0.02 0.00 0.00 177.10 177.30 3mfh n ALA 33 N 3.81 -2.12 0.17 0.60 0.00 -1.26 -4.62 120.51 117.10 3mfh n ALA 33 Ca 0.09 -0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 3mfh n ALA 33 Cb 0.45 -1.53 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 3mfh n ALA 33 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3mfh h PHE 34 N -1.91 -1.33 -0.09 0.00 3.57 -1.94 -0.24 116.94 114.99 3mfh h PHE 34 Ca -0.65 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 60.84 3mfh h PHE 34 Cb 1.39 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 40.67 3mfh h PHE 34 CO 0.48 -0.59 -0.10 0.74 -2.23 0.00 0.00 178.31 176.61 3mfh h PHE 35 N -0.79 0.14 -0.31 0.41 -1.00 -1.93 -0.97 116.94 112.49 3mfh h PHE 35 Ca -0.01 -0.01 -0.18 0.00 2.81 0.00 0.00 57.97 60.57 3mfh h PHE 35 Cb 0.76 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 40.28 3mfh h PHE 35 CO -0.35 0.24 -0.53 0.00 -1.61 0.00 0.00 178.31 176.06 3mfh h ALA 36 N 1.77 0.48 -0.68 2.45 0.00 -1.59 -2.27 119.26 119.41 3mfh h ALA 36 Ca 0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 3mfh h ALA 36 Cb 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3mfh h ALA 36 CO 0.01 0.68 0.23 1.96 0.00 0.00 0.00 179.25 182.13 3mfh h GLN 37 N 0.69 1.04 -0.44 0.00 4.20 -0.35 0.06 115.11 120.32 3mfh h GLN 37 Ca 0.02 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3mfh h GLN 37 Cb 1.14 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 3mfh h GLN 37 CO 0.12 0.88 0.27 0.28 -0.67 0.00 0.00 178.83 179.71 3mfh h VAL 38 N 1.01 1.13 -0.46 -0.54 2.07 -1.05 -1.30 116.25 117.11 3mfh h VAL 38 Ca 0.22 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 3mfh h VAL 38 Cb 0.27 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3mfh h VAL 38 CO -0.01 0.13 -0.03 -0.33 0.02 0.00 0.00 177.57 177.34 3mfh h GLU 39 N 0.58 0.83 -0.25 1.57 4.39 -1.23 -0.34 114.58 120.14 3mfh h GLU 39 Ca 0.16 -0.28 0.06 0.00 0.34 0.00 0.00 59.36 59.63 3mfh h GLU 39 Cb -0.03 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 3mfh h GLU 39 CO -0.03 0.90 -0.15 0.37 -1.16 0.00 0.00 179.01 178.94 3mfh h GLN 40 N 0.68 -0.13 -0.44 2.33 4.15 -0.88 -0.27 115.11 120.55 3mfh h GLN 40 Ca 0.13 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.43 3mfh h GLN 40 Cb 0.55 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 3mfh h GLN 40 CO 0.03 -0.09 -0.21 0.52 -1.93 0.00 0.00 178.83 177.15 3mfh h MET 41 N -0.14 0.89 -0.66 1.69 2.86 -1.05 0.67 114.93 119.19 3mfh h MET 41 Ca 0.14 -0.37 -0.06 0.00 -2.06 0.00 0.00 59.70 57.35 3mfh h MET 41 Cb 0.34 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3mfh h MET 41 CO -0.33 1.01 0.17 -0.09 1.06 0.00 0.00 176.91 178.73 3mfh h ARG 42 N 0.77 1.03 -0.32 1.72 2.43 -0.74 -2.78 114.38 116.50 3mfh h ARG 42 Ca 0.11 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3mfh h ARG 42 Cb 0.76 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3mfh h ARG 42 CO 0.06 0.91 0.00 0.00 -1.51 0.00 0.00 179.97 179.43 3mfh n GLY 44 N 1.15 0.11 3.97 0.00 0.00 -0.79 -5.01 105.19 104.63 3mfh n GLY 44 Ca 0.15 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 3mfh n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mfh s LEU 45 N -4.41 3.10 0.37 0.99 1.43 0.16 -5.03 118.68 115.28 3mfh s LEU 45 Ca 0.00 -0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 3mfh s LEU 45 Cb 0.00 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 3mfh s LEU 45 CO 0.00 -1.49 0.29 -0.94 0.23 0.00 0.00 176.35 174.44 3mfh s SER 46 N -4.56 5.08 0.56 2.29 1.04 -1.26 -4.64 113.70 112.21 3mfh s SER 46 Ca 0.61 -0.65 0.30 0.00 0.48 0.00 0.00 55.95 56.69 3mfh s SER 46 Cb -0.08 -0.78 1.46 0.00 0.10 0.00 0.00 66.02 66.72 3mfh s SER 46 CO 0.42 -0.46 1.89 0.07 0.98 0.00 0.00 173.24 176.14 3mfh h LYS 47 N 1.22 0.00 0.00 4.02 -0.00 -1.99 -2.01 116.57 117.81 3mfh h LYS 47 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.22 3mfh h LYS 47 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.49 3mfh h LYS 47 CO 0.59 0.00 -0.44 0.93 -0.00 0.00 0.00 179.45 180.53 3mfh h GLU 48 N 0.00 0.00 -6.49 0.07 3.07 -2.00 -3.38 114.58 105.85 3mfh h GLU 48 Ca 0.33 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.65 3mfh h GLU 48 Cb 1.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 3mfh h GLU 48 CO -0.00 0.00 0.57 -0.51 -1.40 0.00 0.00 179.01 177.66 3mfh s ASP 49 N -4.55 7.07 -1.46 1.42 1.01 -0.76 -4.87 116.67 114.52 3mfh s ASP 49 Ca 0.07 2.04 -0.14 0.00 0.71 0.00 0.00 52.55 55.23 3mfh s ASP 49 Cb 0.12 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.51 3mfh s ASP 49 CO 0.69 -0.48 2.25 -0.81 0.21 0.00 0.00 175.17 177.03 3mfh n PRO 50 N 3.88 2.87 -2.65 8.23 -0.04 -1.26 -4.61 135.00 141.42 3mfh n PRO 50 Ca 0.09 -2.59 -0.39 0.00 -0.04 0.00 0.00 63.50 60.57 3mfh n PRO 50 Cb 0.46 -3.28 -0.05 0.00 -0.04 0.00 0.00 33.50 30.59 3mfh n PRO 50 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mfh s VAL 51 N 3.17 3.90 -0.01 0.52 1.01 -1.26 -1.32 120.40 126.40 3mfh s VAL 51 Ca 0.48 1.73 0.03 0.00 0.00 0.00 0.00 61.98 64.22 3mfh s VAL 51 Cb 0.14 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3mfh s VAL 51 CO -0.09 0.28 -0.11 0.68 0.00 0.00 0.00 175.10 175.86 3mfh s VAL 52 N -1.38 0.86 -0.06 2.92 -7.23 -0.74 -1.91 120.40 112.85 3mfh s VAL 52 Ca 0.47 -0.45 -0.21 0.00 -1.81 0.00 0.00 61.98 59.98 3mfh s VAL 52 Cb -0.25 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 3mfh s VAL 52 CO 0.31 0.25 0.59 0.00 -0.31 0.00 0.00 175.10 175.94 3mfh s VAL 54 N 0.40 2.36 -0.27 0.00 1.01 0.56 -0.74 120.40 123.71 3mfh s VAL 54 Ca 0.31 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3mfh s VAL 54 Cb -0.17 -1.88 0.08 0.00 0.00 0.00 0.00 36.38 34.40 3mfh s VAL 54 CO 0.15 0.57 -0.01 -1.58 0.00 0.00 0.00 175.10 174.23 3mfh s GLN 55 N -0.27 1.46 6.72 2.72 0.74 -0.09 -1.42 119.66 129.53 3mfh s GLN 55 Ca 0.00 -1.20 0.00 0.00 0.05 0.00 0.00 55.36 54.21 3mfh s GLN 55 Cb -0.13 -2.63 0.00 0.00 1.10 0.00 0.00 33.01 31.36 3mfh s GLN 55 CO 0.03 -0.73 0.00 0.91 -0.55 0.00 0.00 175.29 174.94 3mfh n TRP 56 N 4.61 0.00 0.19 1.67 5.03 -1.26 -2.00 117.44 125.68 3mfh n TRP 56 Ca -0.07 0.00 0.08 0.00 3.03 0.00 0.00 57.50 60.54 3mfh n TRP 56 Cb 0.43 0.00 0.14 0.00 -1.03 0.00 0.00 31.31 30.85 3mfh n TRP 56 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 3mfh n ASN 57 N 10.72 2.80 -4.81 -0.99 3.02 -1.26 -4.68 115.26 120.07 3mfh n ASN 57 Ca 0.00 -1.83 -0.36 0.00 -0.03 0.00 0.00 54.58 52.37 3mfh n ASN 57 Cb 0.00 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 38.93 3mfh n ASN 57 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3mfh s SER 58 N -1.15 5.93 -0.29 6.41 0.01 -0.85 -1.57 113.70 122.20 3mfh s SER 58 Ca 0.25 0.32 -0.29 0.00 1.31 0.00 0.00 55.95 57.54 3mfh s SER 58 Cb 0.15 -1.82 -0.00 0.00 0.21 0.00 0.00 66.02 64.56 3mfh s SER 58 CO 0.21 0.37 1.31 -0.63 0.41 0.00 0.00 173.24 174.91 3mfh s ILE 59 N -1.02 4.13 -0.13 1.44 -1.09 -0.45 -0.91 121.20 123.16 3mfh s ILE 59 Ca 0.16 1.28 0.19 0.00 -2.23 0.00 0.00 60.65 60.05 3mfh s ILE 59 Cb -0.12 -4.12 -0.20 0.00 -1.58 0.00 0.00 42.46 36.44 3mfh s ILE 59 CO 0.06 -0.45 0.60 0.00 -1.23 0.00 0.00 174.94 173.92 3mfh n ILE 60 N 6.17 0.81 -3.73 2.92 3.06 0.08 -0.88 119.36 127.79 3mfh n ILE 60 Ca 0.15 -0.65 -0.13 0.00 -2.50 0.00 0.00 62.75 59.61 3mfh n ILE 60 Cb 0.46 -0.41 -0.10 0.00 0.54 0.00 0.00 39.64 40.13 3mfh n ILE 60 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3mfh s ALA 61 N -3.07 -0.99 -0.20 1.51 0.00 -1.15 -4.88 121.76 112.98 3mfh s ALA 61 Ca -0.06 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.92 3mfh s ALA 61 Cb 0.10 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.75 3mfh s ALA 61 CO 0.84 -0.21 -0.10 0.54 0.00 0.00 0.00 175.76 176.83 3mfh s VAL 62 N -0.10 1.65 0.77 0.00 0.11 -1.26 -0.65 120.40 120.93 3mfh s VAL 62 Ca -0.03 -1.05 -0.16 0.00 -2.93 0.00 0.00 61.98 57.82 3mfh s VAL 62 Cb -0.03 -1.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 3mfh s VAL 62 CO 0.02 0.14 0.34 -1.54 -3.33 0.00 0.00 175.10 170.73 3mfh n SER 63 N 4.67 -1.97 0.19 3.54 3.41 -0.80 -4.76 113.62 117.90 3mfh n SER 63 Ca -0.14 0.51 0.03 0.00 -0.26 0.00 0.00 58.87 59.01 3mfh n SER 63 Cb 0.46 -1.15 0.39 0.00 -0.26 0.00 0.00 64.21 63.65 3mfh n SER 63 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3mfh h TYR 64 N -0.60 0.01 -0.49 7.33 -1.99 -1.90 -1.79 116.97 117.54 3mfh h TYR 64 Ca -0.45 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.32 3mfh h TYR 64 Cb 1.34 -0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.03 3mfh h TYR 64 CO 0.33 0.33 0.27 0.00 -0.00 0.00 0.00 178.16 179.09 3mfh h ALA 65 N 1.67 0.62 0.00 3.88 0.00 -1.82 -2.94 119.26 120.67 3mfh h ALA 65 Ca -0.00 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3mfh h ALA 65 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3mfh h ALA 65 CO 0.04 -0.06 -0.58 0.00 0.00 0.00 0.00 179.25 178.65 3mfh h ALA 66 N 1.24 0.92 0.00 0.00 0.00 -1.67 -2.90 119.26 116.85 3mfh h ALA 66 Ca 0.21 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3mfh h ALA 66 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mfh h ALA 66 CO -0.12 0.73 -0.10 0.00 0.00 0.00 0.00 179.25 179.75 3mfh h ARG 67 N 0.00 0.00 0.00 0.00 3.08 -1.17 -2.01 114.38 114.28 3mfh h ARG 67 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3mfh h ARG 67 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3mfh h ARG 67 CO 0.08 0.10 0.00 0.87 -1.07 0.00 0.00 179.97 179.95 3mfh h LYS 68 N 0.00 0.00 -0.00 0.04 1.57 -1.44 -1.25 116.57 115.48 3mfh h LYS 68 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mfh h LYS 68 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3mfh h LYS 68 CO 0.01 0.00 -0.29 0.66 -0.57 0.00 0.00 179.45 179.26 3mfh n TYR 69 N -2.56 0.00 -0.22 -1.35 4.02 -0.76 -4.96 117.16 111.33 3mfh n TYR 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3mfh n TYR 69 Cb 0.17 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 3mfh n TYR 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mfh n GLY 70 N 1.41 0.76 3.73 2.72 0.00 -0.47 -4.87 105.19 108.48 3mfh n GLY 70 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3mfh n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mfh s ILE 71 N -2.21 3.56 0.10 -0.61 1.01 -1.23 -5.03 121.20 116.79 3mfh s ILE 71 Ca 0.00 1.26 0.08 0.00 0.00 0.00 0.00 60.65 61.99 3mfh s ILE 71 Cb 0.00 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3mfh s ILE 71 CO 0.00 0.17 -0.21 -0.44 0.00 0.00 0.00 174.94 174.47 3mfh s SER 72 N 0.38 2.54 0.39 3.58 0.01 -1.26 -4.43 113.70 114.92 3mfh s SER 72 Ca 0.55 -0.67 -0.26 0.00 1.31 0.00 0.00 55.95 56.88 3mfh s SER 72 Cb -0.33 -0.15 -0.11 0.00 0.21 0.00 0.00 66.02 65.65 3mfh s SER 72 CO 0.35 0.07 1.20 -1.14 0.41 0.00 0.00 173.24 174.13 3mfh n ARG 73 N 1.15 1.81 -0.89 12.44 0.63 -1.26 -1.65 116.66 128.89 3mfh n ARG 73 Ca -0.19 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 3mfh n ARG 73 Cb 0.53 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.18 3mfh n ARG 73 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 3mfh n MET 74 N 0.22 -0.07 -1.34 -0.14 2.81 -0.06 -5.00 117.12 113.53 3mfh n MET 74 Ca 0.07 0.02 -0.36 0.00 -1.81 0.00 0.00 57.70 55.62 3mfh n MET 74 Cb 0.38 -3.08 0.08 0.00 -0.71 0.00 0.00 33.22 29.90 3mfh n MET 74 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3mfh n ASP 75 N -0.04 0.24 -4.88 7.83 9.92 -0.66 -4.74 116.55 124.23 3mfh n ASP 75 Ca 0.00 0.66 -0.30 0.00 -0.53 0.00 0.00 54.79 54.62 3mfh n ASP 75 Cb 0.02 -1.38 -0.02 0.00 -0.64 0.00 0.00 41.12 39.10 3mfh n ASP 75 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3mfh s THR 76 N -1.83 4.76 0.47 -3.53 -4.23 -1.26 -1.35 115.64 108.67 3mfh s THR 76 Ca 0.72 0.66 0.13 0.00 -1.18 0.00 0.00 61.69 62.02 3mfh s THR 76 Cb -0.35 -3.78 0.28 0.00 1.34 0.00 0.00 72.50 69.99 3mfh s THR 76 CO 0.51 -0.73 2.10 -0.29 -0.54 0.00 0.00 174.62 175.67 3mfh h ILE 77 N 0.63 1.03 0.27 2.99 6.09 -1.62 -2.11 117.51 124.78 3mfh h ILE 77 Ca -0.47 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 62.94 3mfh h ILE 77 Cb 1.19 0.76 -0.01 0.00 0.47 0.00 0.00 36.82 39.24 3mfh h ILE 77 CO 0.63 0.04 -0.18 1.56 -3.07 0.00 0.00 178.15 177.13 3mfh h GLN 78 N 0.24 -0.43 -0.60 2.19 7.50 -1.93 -1.95 115.11 120.13 3mfh h GLN 78 Ca 0.08 0.03 0.05 0.00 0.50 0.00 0.00 58.65 59.31 3mfh h GLN 78 Cb 0.04 0.10 -0.05 0.00 0.05 0.00 0.00 27.48 27.62 3mfh h GLN 78 CO -0.02 -0.29 0.34 0.93 -1.50 0.00 0.00 178.83 178.29 3mfh h GLU 79 N -0.45 0.62 -0.88 1.46 5.08 -1.84 -2.47 114.58 116.10 3mfh h GLU 79 Ca -0.02 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3mfh h GLU 79 Cb 0.38 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 3mfh h GLU 79 CO 0.01 0.41 0.57 0.00 -1.00 0.00 0.00 179.01 179.00 3mfh h ALA 80 N 1.30 1.18 -0.30 3.43 0.00 -1.15 -2.62 119.26 121.10 3mfh h ALA 80 Ca 0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3mfh h ALA 80 Cb 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3mfh h ALA 80 CO -0.15 0.40 -0.05 -0.07 0.00 0.00 0.00 179.25 179.37 3mfh h LEU 81 N 1.09 0.45 -0.47 0.00 3.38 -0.88 -2.07 115.31 116.81 3mfh h LEU 81 Ca 0.36 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3mfh h LEU 81 Cb 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3mfh h LEU 81 CO -0.13 0.56 0.30 0.11 0.09 0.00 0.00 178.44 179.37 3mfh h LYS 82 N 0.45 0.63 0.00 1.13 1.79 -1.29 -3.11 116.57 116.18 3mfh h LYS 82 Ca 0.09 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.44 3mfh h LYS 82 Cb 0.38 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 3mfh h LYS 82 CO 0.02 0.43 -0.35 0.87 -1.08 0.00 0.00 179.45 179.34 3mfh h LYS 83 N 0.63 0.00 -2.14 3.15 1.57 -1.25 -3.42 116.57 115.11 3mfh h LYS 83 Ca 0.17 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 3mfh h LYS 83 Cb -0.05 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 31.96 3mfh h LYS 83 CO -0.03 0.35 -0.48 0.00 -0.57 0.00 0.00 179.45 178.72 3mfh h SER 85 N 8.20 0.15 -0.23 0.00 4.64 -1.83 -2.96 113.55 121.51 3mfh h SER 85 Ca -0.18 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3mfh h SER 85 Cb 1.14 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3mfh h SER 85 CO 0.24 0.80 0.00 -0.46 -0.87 0.00 0.00 176.83 176.54 3mfh n ASN 86 N -3.76 2.06 -4.63 4.97 0.23 -1.26 -4.97 115.26 107.91 3mfh n ASN 86 Ca -0.02 -2.17 -0.44 0.00 -0.53 0.00 0.00 54.58 51.42 3mfh n ASN 86 Cb 0.69 -0.37 -0.02 0.00 -2.08 0.00 0.00 39.78 37.99 3mfh n ASN 86 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3mfh n LEU 87 N 0.25 2.47 -4.04 -4.53 7.94 -1.12 -4.71 117.00 113.26 3mfh n LEU 87 Ca 0.09 1.18 -0.34 0.00 -1.11 0.00 0.00 56.01 55.84 3mfh n LEU 87 Cb 0.41 -1.36 -0.09 0.00 0.53 0.00 0.00 43.42 42.91 3mfh n LEU 87 CO 0.09 -0.99 0.13 -0.63 -1.11 0.00 0.00 177.39 174.87 3mfh s ILE 88 N -0.85 3.69 -0.10 1.96 1.01 -0.44 -5.03 121.20 121.44 3mfh s ILE 88 Ca 0.60 -3.66 -0.30 0.00 0.00 0.00 0.00 60.65 57.30 3mfh s ILE 88 Cb -0.67 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 3mfh s ILE 88 CO 0.59 -0.98 1.11 -2.16 0.00 0.00 0.00 174.94 173.49 3mfh s PRO 89 N -0.92 4.36 -0.14 2.79 0.04 -1.26 -1.80 135.00 138.07 3mfh s PRO 89 Ca 0.23 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.81 3mfh s PRO 89 Cb -0.12 -3.58 0.02 0.00 0.04 0.00 0.00 34.50 30.86 3mfh s PRO 89 CO -0.10 -0.44 -0.16 0.42 0.04 0.00 0.00 177.00 176.77 3mfh s ILE 90 N 2.34 1.68 0.40 0.56 1.01 -0.11 -4.96 121.20 122.12 3mfh s ILE 90 Ca 0.52 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 60.23 3mfh s ILE 90 Cb -0.21 -1.55 -0.11 0.00 0.01 0.00 0.00 42.46 40.61 3mfh s ILE 90 CO 0.18 0.48 0.95 -2.28 0.00 0.00 0.00 174.94 174.27 3mfh s HIS 91 N 1.30 3.40 0.80 3.97 2.46 -1.26 -0.32 115.29 125.63 3mfh s HIS 91 Ca 0.02 1.65 -0.15 0.00 0.47 0.00 0.00 55.06 57.05 3mfh s HIS 91 Cb -0.13 -2.87 0.02 0.00 -0.13 0.00 0.00 32.58 29.47 3mfh s HIS 91 CO -0.08 -0.04 0.78 0.25 -2.47 0.00 0.00 174.74 173.18 3mfh n THR 92 N -0.35 1.64 -0.73 0.89 -2.24 -0.50 -4.84 114.28 108.15 3mfh n THR 92 Ca 0.06 -0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.23 3mfh n THR 92 Cb 0.53 -0.91 0.15 0.00 -2.10 0.00 0.00 70.33 68.00 3mfh n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mfh n ALA 93 N -2.94 -1.37 -2.71 6.98 0.00 -1.26 -4.76 120.51 114.46 3mfh n ALA 93 Ca 0.11 -0.57 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 3mfh n ALA 93 Cb 0.51 -2.07 -0.08 0.00 0.00 0.00 0.00 19.45 17.81 3mfh n ALA 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3mfh s VAL 94 N -2.54 0.13 -0.10 0.00 -7.23 -0.70 -1.45 120.40 108.51 3mfh s VAL 94 Ca 0.64 -1.05 -0.06 0.00 -1.81 0.00 0.00 61.98 59.70 3mfh s VAL 94 Cb -0.23 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 3mfh s VAL 94 CO 0.61 -0.58 0.13 -0.36 -0.31 0.00 0.00 175.10 174.59 3mfh s PHE 95 N -3.07 3.55 -0.14 2.82 0.08 0.44 -1.57 117.98 120.10 3mfh s PHE 95 Ca -0.01 0.47 -0.13 0.00 0.12 0.00 0.00 56.93 57.38 3mfh s PHE 95 Cb 0.01 -1.91 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 3mfh s PHE 95 CO -0.07 0.70 0.29 0.21 -0.10 0.00 0.00 175.22 176.25 3mfh s LYS 96 N -1.14 4.13 0.20 0.44 2.20 -1.26 -1.02 119.74 123.28 3mfh s LYS 96 Ca 0.16 0.10 -0.32 0.00 -0.36 0.00 0.00 55.97 55.55 3mfh s LYS 96 Cb -0.12 -3.38 -0.14 0.00 -1.51 0.00 0.00 37.83 32.69 3mfh s LYS 96 CO 0.06 0.35 1.49 1.17 -0.36 0.00 0.00 175.35 178.06 3mfh n LYS 97 N 3.19 2.10 0.00 4.03 4.81 0.27 -0.54 118.16 132.01 3mfh n LYS 97 Ca -0.13 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 3mfh n LYS 97 Cb 0.52 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.11 3mfh n LYS 97 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mfh n GLY 98 N 2.74 1.02 3.65 3.14 0.00 -1.26 -5.02 105.19 109.47 3mfh n GLY 98 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3mfh n GLY 98 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mfh s GLU 99 N -0.75 2.09 -0.15 1.61 2.02 0.29 -5.07 118.70 118.74 3mfh s GLU 99 Ca 0.00 -1.82 0.15 0.00 0.02 0.00 0.00 54.97 53.32 3mfh s GLU 99 Cb 0.00 -1.90 0.33 0.00 0.10 0.00 0.00 34.13 32.66 3mfh s GLU 99 CO 0.00 0.05 1.17 -0.40 0.02 0.00 0.00 175.26 176.10 3mfh n ASP 100 N -1.01 1.97 -3.78 -0.19 3.85 -1.26 -4.70 116.55 111.42 3mfh n ASP 100 Ca -0.04 -3.29 -0.12 0.00 -0.71 0.00 0.00 54.79 50.63 3mfh n ASP 100 Cb 0.63 -0.45 -0.08 0.00 -1.35 0.00 0.00 41.12 39.87 3mfh n ASP 100 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 3mfh s PHE 101 N -2.78 -0.08 0.26 2.11 -0.12 -1.26 -4.76 117.98 111.35 3mfh s PHE 101 Ca 0.33 0.00 0.06 0.00 -0.05 0.00 0.00 56.93 57.27 3mfh s PHE 101 Cb 0.30 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 3mfh s PHE 101 CO -0.01 -0.44 0.30 1.67 -0.05 0.00 0.00 175.22 176.68 3mfh s TRP 102 N -2.10 3.25 0.07 3.49 1.48 -1.26 -4.34 118.94 119.53 3mfh s TRP 102 Ca -0.08 -0.09 -0.26 0.00 -1.06 0.00 0.00 56.10 54.60 3mfh s TRP 102 Cb -0.03 -1.55 0.08 0.00 -1.16 0.00 0.00 33.47 30.82 3mfh s TRP 102 CO -0.01 0.42 0.84 1.14 -4.06 0.00 0.00 176.95 175.28 3mfh s GLN 103 N -3.94 1.04 0.14 3.25 -2.07 -0.61 -4.95 119.66 112.51 3mfh s GLN 103 Ca 0.35 -0.44 -0.27 0.00 -1.82 0.00 0.00 55.36 53.17 3mfh s GLN 103 Cb -0.08 0.44 -0.07 0.00 -1.09 0.00 0.00 33.01 32.21 3mfh s GLN 103 CO 0.27 -0.46 0.86 0.71 -1.32 0.00 0.00 175.29 175.35 3mfh s TYR 104 N -3.32 3.86 -0.91 9.60 1.51 -1.26 -1.72 117.35 125.11 3mfh s TYR 104 Ca 0.06 1.70 -0.00 0.00 -1.01 0.00 0.00 57.07 57.82 3mfh s TYR 104 Cb -0.01 -2.90 0.28 0.00 -0.11 0.00 0.00 41.96 39.22 3mfh s TYR 104 CO -0.07 0.36 1.17 0.72 -1.11 0.00 0.00 175.55 176.62 3mfh n HIS 105 N 2.19 2.93 -2.24 2.71 8.25 -1.26 -5.01 115.22 122.79 3mfh n HIS 105 Ca -0.02 -3.27 -0.40 0.00 -0.26 0.00 0.00 57.72 53.76 3mfh n HIS 105 Cb 0.49 -0.99 -0.03 0.00 1.12 0.00 0.00 29.99 30.58 3mfh n HIS 105 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3mfh s ASP 106 N -1.92 6.93 0.00 0.41 1.01 -1.26 -1.96 116.67 119.88 3mfh s ASP 106 Ca 0.34 2.54 0.00 0.00 0.71 0.00 0.00 52.55 56.14 3mfh s ASP 106 Cb 0.08 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.37 3mfh s ASP 106 CO 0.05 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 175.63 3mfh n GLY 107 N 0.92 1.62 3.65 0.21 0.00 -1.26 -5.07 105.19 105.26 3mfh n GLY 107 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3mfh n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mfh n GLY 109 N 0.62 0.58 0.26 0.00 0.00 -1.06 -4.65 105.19 100.94 3mfh n GLY 109 Ca -0.12 -1.17 0.17 0.00 0.00 0.00 0.00 46.02 44.91 3mfh n GLY 109 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mfh h SER 110 N 0.00 0.00 0.00 1.61 4.64 -1.83 -3.40 113.55 114.57 3mfh h SER 110 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mfh h SER 110 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mfh h SER 110 CO 0.00 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.29 3mfh n TRP 111 N -2.85 0.00 0.00 4.77 2.14 -1.26 -5.11 117.44 115.13 3mfh n TRP 111 Ca -0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 3mfh n TRP 111 Cb 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.70 3mfh n TRP 111 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 3mfh n VAL 112 N 0.00 0.00 0.00 -1.67 0.31 -1.26 -4.99 118.33 110.71 3mfh n VAL 112 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3mfh n VAL 112 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3mfh n VAL 112 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3mfh n PRO 115 N 5.27 0.00 -1.39 5.55 -0.04 -1.26 -5.02 135.00 138.10 3mfh n PRO 115 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 3mfh n PRO 115 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 3mfh n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mfh n ALA 116 N -0.78 6.46 -2.78 0.55 0.00 -1.26 -4.53 120.51 118.16 3mfh n ALA 116 Ca 0.00 -2.81 -0.10 0.00 0.00 0.00 0.00 53.44 50.53 3mfh n ALA 116 Cb 0.00 -2.21 0.08 0.00 0.00 0.00 0.00 19.45 17.31 3mfh n ALA 116 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3mfh n LYS 117 N 1.28 1.08 -0.00 0.00 -0.00 -1.26 -5.01 118.16 114.24 3mfh n LYS 117 Ca 0.48 -2.22 0.03 0.00 -0.00 0.00 0.00 58.31 56.59 3mfh n LYS 117 Cb 0.62 -0.84 -0.04 0.00 -0.00 0.00 0.00 35.03 34.77 3mfh n LYS 117 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3mfh n GLN 118 N 0.02 0.54 -3.35 -1.58 -0.06 -1.26 -2.55 117.38 109.13 3mfh n GLN 118 Ca 0.06 -0.04 -0.20 0.00 -2.00 0.00 0.00 57.00 54.82 3mfh n GLN 118 Cb 0.75 -1.09 0.01 0.00 -4.06 0.00 0.00 30.24 25.85 3mfh n GLN 118 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 3mfh n ILE 119 N -1.64 -6.71 -2.23 1.69 5.41 -1.26 -3.67 119.36 110.95 3mfh n ILE 119 Ca -0.01 0.16 -0.41 0.00 1.00 0.00 0.00 62.75 63.49 3mfh n ILE 119 Cb 0.13 -4.94 -0.03 0.00 -0.71 0.00 0.00 39.64 34.09 3mfh n ILE 119 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3mfh s SER 120 N -2.48 6.92 0.58 4.38 0.15 -1.26 -4.88 113.70 117.11 3mfh s SER 120 Ca 0.16 2.45 0.36 0.00 0.70 0.00 0.00 55.95 59.62 3mfh s SER 120 Cb -0.03 -2.62 1.75 0.00 -1.71 0.00 0.00 66.02 63.41 3mfh s SER 120 CO 0.83 -0.47 2.14 1.62 1.20 0.00 0.00 173.24 178.56 3mfh h VAL 121 N 3.49 0.14 -0.03 4.45 3.04 -1.91 -2.81 116.25 122.62 3mfh h VAL 121 Ca -0.46 -0.35 -0.17 0.00 -1.01 0.00 0.00 66.70 64.71 3mfh h VAL 121 Cb 1.22 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 3mfh h VAL 121 CO 0.73 0.03 -0.74 -0.33 -1.01 0.00 0.00 177.57 176.26 3mfh h GLU 122 N 0.00 0.18 -0.04 4.17 3.07 -1.91 -3.37 114.58 116.67 3mfh h GLU 122 Ca -0.00 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 3mfh h GLU 122 Cb 0.30 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3mfh h GLU 122 CO 0.00 0.83 0.00 -0.25 -1.40 0.00 0.00 179.01 178.20 3mfh n ASP 123 N -3.75 1.69 -4.20 1.42 10.43 -1.10 -4.90 116.55 116.14 3mfh n ASP 123 Ca -0.03 -1.40 -0.13 0.00 2.57 0.00 0.00 54.79 55.80 3mfh n ASP 123 Cb 0.71 -0.03 -0.10 0.00 1.84 0.00 0.00 41.12 43.54 3mfh n ASP 123 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 3mfh s HIS 124 N -0.59 1.09 0.17 1.24 3.76 -1.08 -0.57 115.29 119.30 3mfh s HIS 124 Ca 0.08 -0.78 0.09 0.00 -0.15 0.00 0.00 55.06 54.30 3mfh s HIS 124 Cb 0.05 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 3mfh s HIS 124 CO 0.07 -0.01 -0.20 -1.59 -0.85 0.00 0.00 174.74 172.16 3mfh s LYS 125 N -3.50 1.33 0.42 1.40 -2.85 -0.19 -4.84 119.74 111.51 3mfh s LYS 125 Ca 0.12 -1.41 -0.24 0.00 -1.00 0.00 0.00 55.97 53.44 3mfh s LYS 125 Cb 0.02 -1.48 -0.08 0.00 -2.06 0.00 0.00 37.83 34.22 3mfh s LYS 125 CO -0.01 0.31 1.13 0.08 0.10 0.00 0.00 175.35 176.96 3mfh s VAL 126 N -1.84 3.33 -0.22 1.79 1.01 -1.26 -0.42 120.40 122.80 3mfh s VAL 126 Ca 0.16 1.04 -0.03 0.00 0.00 0.00 0.00 61.98 63.15 3mfh s VAL 126 Cb -0.07 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3mfh s VAL 126 CO 0.07 0.02 -0.06 -0.55 0.00 0.00 0.00 175.10 174.59 3mfh s SER 127 N -1.37 4.22 0.00 3.32 0.15 -0.53 -4.67 113.70 114.82 3mfh s SER 127 Ca 0.60 -0.52 0.20 0.00 0.70 0.00 0.00 55.95 56.93 3mfh s SER 127 Cb -0.27 -1.71 0.60 0.00 -1.71 0.00 0.00 66.02 62.94 3mfh s SER 127 CO 0.33 -0.05 1.47 0.18 1.20 0.00 0.00 173.24 176.37 3mfh n LEU 128 N 4.76 2.22 0.06 3.45 4.77 -1.26 -4.00 117.00 127.00 3mfh n LEU 128 Ca -0.18 -0.97 0.05 0.00 -0.03 0.00 0.00 56.01 54.88 3mfh n LEU 128 Cb 0.50 -0.17 0.48 0.00 -2.33 0.00 0.00 43.42 41.89 3mfh n LEU 128 CO 0.28 0.49 1.14 -0.08 -1.33 0.00 0.00 177.39 177.89 3mfh h GLU 129 N 2.81 0.41 -0.30 3.23 4.57 -1.96 -1.01 114.58 122.33 3mfh h GLU 129 Ca 0.00 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3mfh h GLU 129 Cb 0.62 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 3mfh h GLU 129 CO 0.00 0.27 0.12 -1.35 -1.18 0.00 0.00 179.01 176.87 3mfh h PRO 130 N 0.42 0.42 -0.11 0.92 0.11 -2.01 -0.14 132.00 131.60 3mfh h PRO 130 Ca 0.11 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.97 3mfh h PRO 130 Cb -0.04 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 30.99 3mfh h PRO 130 CO -0.02 0.35 -0.72 1.88 -0.21 0.00 0.00 178.00 179.28 3mfh h TYR 131 N 0.42 0.95 -0.76 0.65 -1.99 -1.55 -2.86 116.97 111.83 3mfh h TYR 131 Ca 0.11 -0.44 -0.05 0.00 2.00 0.00 0.00 58.73 60.35 3mfh h TYR 131 Cb 0.09 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 38.65 3mfh h TYR 131 CO 0.00 1.25 0.27 0.00 -0.00 0.00 0.00 178.16 179.69 3mfh h ARG 132 N 0.38 1.15 -0.44 4.88 3.08 -1.09 -0.53 114.38 121.80 3mfh h ARG 132 Ca -0.06 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.78 3mfh h ARG 132 Cb 1.37 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 3mfh h ARG 132 CO 0.15 0.95 0.29 0.00 -1.07 0.00 0.00 179.97 180.29 3mfh h ARG 133 N 1.12 0.57 -0.16 0.04 3.08 -1.03 -1.48 114.38 116.51 3mfh h ARG 133 Ca 0.25 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.14 3mfh h ARG 133 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3mfh h ARG 133 CO -0.01 0.38 -0.43 0.93 -1.07 0.00 0.00 179.97 179.76 3mfh h GLU 134 N 0.59 0.37 -0.96 0.04 4.39 -1.25 -1.87 114.58 115.90 3mfh h GLU 134 Ca 0.17 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3mfh h GLU 134 Cb -0.05 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 3mfh h GLU 134 CO -0.05 0.74 0.59 1.03 -1.16 0.00 0.00 179.01 180.16 3mfh h SER 135 N 0.31 1.14 0.37 1.42 0.87 -0.74 -1.88 113.55 115.03 3mfh h SER 135 Ca 0.02 -0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.36 3mfh h SER 135 Cb 0.89 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3mfh h SER 135 CO 0.07 0.86 -0.69 0.03 -0.53 0.00 0.00 176.83 176.58 3mfh h ARG 136 N 1.31 0.28 -0.27 2.24 3.08 -0.83 -0.82 114.38 119.38 3mfh h ARG 136 Ca 0.34 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3mfh h ARG 136 Cb -0.08 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3mfh h ARG 136 CO -0.07 0.86 0.11 0.87 -1.07 0.00 0.00 179.97 180.67 3mfh h LYS 137 N 0.20 0.40 -0.26 0.04 1.57 -1.16 -1.46 116.57 115.88 3mfh h LYS 137 Ca -0.02 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3mfh h LYS 137 Cb 1.23 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3mfh h LYS 137 CO 0.11 0.42 0.06 0.00 -0.57 0.00 0.00 179.45 179.48 3mfh h ALA 138 N 0.95 0.28 -0.63 3.86 0.00 -1.23 -2.65 119.26 119.84 3mfh h ALA 138 Ca 0.09 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3mfh h ALA 138 Cb 0.17 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3mfh h ALA 138 CO -0.01 -0.35 0.26 1.25 0.00 0.00 0.00 179.25 180.41 3mfh h LEU 139 N 0.17 0.30 -1.06 0.00 5.85 -0.93 -0.62 115.31 119.01 3mfh h LEU 139 Ca 0.12 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.01 3mfh h LEU 139 Cb 0.11 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 3mfh h LEU 139 CO -0.15 0.18 0.62 0.00 -0.34 0.00 0.00 178.44 178.76 3mfh h ALA 140 N 1.41 1.53 -0.12 1.25 0.00 -1.06 0.25 119.26 122.51 3mfh h ALA 140 Ca 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3mfh h ALA 140 Cb 0.35 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3mfh h ALA 140 CO -0.28 0.27 -0.13 0.82 0.00 0.00 0.00 179.25 179.92 3mfh h ILE 141 N 1.01 1.36 -0.47 0.00 2.04 -0.89 -1.92 117.51 118.64 3mfh h ILE 141 Ca 0.46 -1.31 0.02 0.00 1.00 0.00 0.00 64.86 65.03 3mfh h ILE 141 Cb 0.39 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 3mfh h ILE 141 CO -0.22 0.38 0.29 -0.26 0.00 0.00 0.00 178.15 178.34 3mfh h PHE 142 N -0.09 0.55 -0.06 1.37 0.05 -0.88 -2.36 116.94 115.51 3mfh h PHE 142 Ca 0.02 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.74 3mfh h PHE 142 Cb 0.67 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 38.42 3mfh h PHE 142 CO 0.09 0.33 -0.33 0.87 -0.18 0.00 0.00 178.31 179.09 3mfh h LYS 143 N 0.59 0.12 -0.18 1.51 1.57 -0.96 -0.63 116.57 118.58 3mfh h LYS 143 Ca 0.18 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 3mfh h LYS 143 Cb -0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3mfh h LYS 143 CO -0.07 0.44 -0.22 2.35 -0.57 0.00 0.00 179.45 181.39 3mfh h TRP 144 N 0.11 0.35 0.00 -1.35 7.01 -1.09 -3.17 115.95 117.80 3mfh h TRP 144 Ca 0.01 -0.06 -0.09 0.00 2.11 0.00 0.00 58.89 60.87 3mfh h TRP 144 Cb 0.64 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 3mfh h TRP 144 CO 0.01 0.52 -0.88 0.00 -2.79 0.00 0.00 178.44 175.30 3mfh h ALA 145 N 1.49 0.67 -3.27 2.65 0.00 -0.87 -3.47 119.26 116.45 3mfh h ALA 145 Ca 0.05 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 3mfh h ALA 145 Cb 0.55 0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.14 3mfh h ALA 145 CO 0.04 0.49 -0.53 0.00 0.00 0.00 0.00 179.25 179.25 3mfh n ASP 147 N 3.37 0.00 -3.44 0.00 5.75 -1.26 -4.40 116.55 116.57 3mfh n ASP 147 Ca -0.17 0.03 -0.18 0.00 -0.01 0.00 0.00 54.79 54.46 3mfh n ASP 147 Cb 0.57 -0.34 -0.11 0.00 -1.03 0.00 0.00 41.12 40.21 3mfh n ASP 147 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3mfh s LEU 148 N -2.67 -0.13 -0.07 -2.12 2.96 -1.26 -5.09 118.68 110.29 3mfh s LEU 148 Ca 0.23 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3mfh s LEU 148 Cb 0.18 0.41 0.02 0.00 0.50 0.00 0.00 46.19 47.30 3mfh s LEU 148 CO 0.44 -0.37 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.30 3mfh s VAL 149 N 2.33 1.09 -0.25 1.68 1.01 -1.26 -1.70 120.40 123.30 3mfh s VAL 149 Ca 0.09 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 3mfh s VAL 149 Cb -0.15 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3mfh s VAL 149 CO -0.25 0.35 0.02 -0.70 0.00 0.00 0.00 175.10 174.52 3mfh s GLU 150 N 0.85 3.37 -0.36 2.72 2.12 -0.37 -4.40 118.70 122.63 3mfh s GLU 150 Ca -0.11 -0.65 -0.29 0.00 0.36 0.00 0.00 54.97 54.28 3mfh s GLU 150 Cb -0.15 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.06 3mfh s GLU 150 CO 0.02 -0.26 1.16 0.50 -0.54 0.00 0.00 175.26 176.13 3mfh s ARG 151 N 1.52 3.93 -0.02 4.30 3.52 -1.26 -1.04 118.95 129.89 3mfh s ARG 151 Ca 0.05 0.99 0.18 0.00 -0.13 0.00 0.00 55.73 56.82 3mfh s ARG 151 Cb -0.15 -3.82 -0.20 0.00 -1.56 0.00 0.00 34.95 29.21 3mfh s ARG 151 CO 0.00 -1.10 0.56 0.00 -0.81 0.00 0.00 175.30 173.95 3mfh n ALA 152 N 7.37 2.02 -3.72 6.12 0.00 -0.43 -4.94 120.51 126.92 3mfh n ALA 152 Ca 0.13 -0.74 0.08 0.00 0.00 0.00 0.00 53.44 52.91 3mfh n ALA 152 Cb 0.47 -0.72 0.02 0.00 0.00 0.00 0.00 19.45 19.22 3mfh n ALA 152 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mfh n SER 153 N -2.72 -1.28 -0.06 0.00 3.41 -1.18 -4.95 113.62 106.85 3mfh n SER 153 Ca -0.14 -1.60 0.21 0.00 -0.26 0.00 0.00 58.87 57.07 3mfh n SER 153 Cb 0.86 2.06 0.66 0.00 -0.26 0.00 0.00 64.21 67.53 3mfh n SER 153 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3mfh h ILE 154 N 1.78 0.71 0.00 -1.33 2.10 -2.00 -2.92 117.51 115.84 3mfh h ILE 154 Ca -0.20 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.71 3mfh h ILE 154 Cb 0.94 0.63 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 3mfh h ILE 154 CO 0.28 0.01 -0.04 -0.90 -1.08 0.00 0.00 178.15 176.42 3mfh n ASP 155 N -4.38 1.46 -4.34 2.19 3.85 -1.26 -4.70 116.55 109.36 3mfh n ASP 155 Ca 0.12 -1.98 -0.31 0.00 -0.71 0.00 0.00 54.79 51.90 3mfh n ASP 155 Cb 0.66 -0.10 -0.15 0.00 -1.35 0.00 0.00 41.12 40.18 3mfh n ASP 155 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3mfh s GLU 156 N -1.05 2.19 0.06 0.11 2.02 -1.11 -1.53 118.70 119.39 3mfh s GLU 156 Ca 0.06 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.19 3mfh s GLU 156 Cb 0.05 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 3mfh s GLU 156 CO 0.01 0.57 -0.09 0.14 0.02 0.00 0.00 175.26 175.91 3mfh s VAL 157 N -0.63 0.69 -0.01 2.63 -7.23 -0.62 -1.32 120.40 113.92 3mfh s VAL 157 Ca 0.10 -1.25 -0.00 0.00 -1.81 0.00 0.00 61.98 59.02 3mfh s VAL 157 Cb -0.10 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 3mfh s VAL 157 CO -0.01 -0.42 0.05 -0.36 -0.31 0.00 0.00 175.10 174.06 3mfh s PHE 158 N -1.68 3.22 -0.06 2.82 0.40 -0.21 -0.86 117.98 121.61 3mfh s PHE 158 Ca -0.05 0.17 0.05 0.00 -0.60 0.00 0.00 56.93 56.50 3mfh s PHE 158 Cb -0.08 -1.72 -0.00 0.00 0.51 0.00 0.00 43.02 41.72 3mfh s PHE 158 CO 0.00 0.53 -0.22 -0.51 0.70 0.00 0.00 175.22 175.72 3mfh s LEU 159 N -1.64 2.01 -0.44 -0.37 1.43 0.58 -1.23 118.68 119.02 3mfh s LEU 159 Ca 0.21 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.66 3mfh s LEU 159 Cb -0.12 -1.25 0.03 0.00 0.03 0.00 0.00 46.19 44.88 3mfh s LEU 159 CO 0.12 0.19 0.50 -0.62 0.23 0.00 0.00 176.35 176.77 3mfh s ASP 160 N 0.05 6.22 -0.05 2.29 2.15 -0.69 -1.13 116.67 125.51 3mfh s ASP 160 Ca -0.08 -0.67 0.12 0.00 0.43 0.00 0.00 52.55 52.35 3mfh s ASP 160 Cb -0.14 -2.25 0.41 0.00 -0.30 0.00 0.00 42.92 40.64 3mfh s ASP 160 CO 0.04 -0.66 1.29 0.18 -0.17 0.00 0.00 175.17 175.85 3mfh n LEU 161 N 5.78 2.79 -0.09 -1.34 4.77 -0.23 -4.52 117.00 124.16 3mfh n LEU 161 Ca -0.06 -1.40 -0.07 0.00 -0.03 0.00 0.00 56.01 54.44 3mfh n LEU 161 Cb 0.47 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3mfh n LEU 161 CO 0.48 0.54 0.70 1.23 -1.33 0.00 0.00 177.39 179.02 3mfh h GLY 162 N 4.85 -0.05 1.06 -0.72 0.00 -1.79 -1.10 103.07 105.34 3mfh h GLY 162 Ca 0.00 0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 3mfh h GLY 162 CO 0.10 -0.20 -0.00 3.21 0.00 0.00 0.00 176.54 179.65 3mfh h ARG 163 N -0.19 1.02 -0.35 4.80 -0.00 -1.76 -0.58 114.38 117.31 3mfh h ARG 163 Ca 0.17 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.98 59.27 3mfh h ARG 163 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.31 3mfh h ARG 163 CO -0.45 1.01 0.01 0.82 0.00 0.00 0.00 179.97 181.37 3mfh h ILE 164 N 0.91 1.26 -0.26 2.04 2.04 -1.80 -0.18 117.51 121.52 3mfh h ILE 164 Ca 0.16 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 3mfh h ILE 164 Cb 0.55 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3mfh h ILE 164 CO 0.03 0.32 0.04 0.00 0.00 0.00 0.00 178.15 178.53 3mfh h PHE 166 N 0.24 0.01 -0.63 0.00 3.57 -1.04 -0.67 116.94 118.42 3mfh h PHE 166 Ca 0.08 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 3mfh h PHE 166 Cb 0.34 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3mfh h PHE 166 CO 0.02 0.03 0.13 -0.91 -2.23 0.00 0.00 178.31 175.35 3mfh h ASN 167 N -0.01 0.94 -0.23 0.41 2.35 -0.96 -0.99 115.58 117.10 3mfh h ASN 167 Ca 0.00 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 3mfh h ASN 167 Cb 0.02 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 3mfh h ASN 167 CO -0.00 0.93 0.08 -0.03 -1.65 0.00 0.00 177.43 176.75 3mfh h MET 168 N 0.95 0.35 -0.73 0.81 4.05 -1.16 0.39 114.93 119.59 3mfh h MET 168 Ca 0.20 -0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.58 3mfh h MET 168 Cb 0.37 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.06 3mfh h MET 168 CO 0.00 0.43 0.46 1.25 0.23 0.00 0.00 176.91 179.28 3mfh h LEU 169 N 0.21 0.74 0.03 3.39 5.85 -0.68 -2.80 115.31 122.05 3mfh h LEU 169 Ca 0.08 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.48 3mfh h LEU 169 Cb 0.22 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3mfh h LEU 169 CO -0.00 0.50 -1.90 0.23 -0.34 0.00 0.00 178.44 176.93 3mfh n MET 170 N -4.66 0.67 0.00 1.25 2.81 -0.41 -4.72 117.12 112.06 3mfh n MET 170 Ca 0.09 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 3mfh n MET 170 Cb 0.11 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 3mfh n MET 170 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3mfh n PHE 171 N -3.12 0.00 -2.46 2.03 3.01 0.14 -4.95 117.46 112.10 3mfh n PHE 171 Ca -0.24 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.79 3mfh n PHE 171 Cb 1.06 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.51 3mfh n PHE 171 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3mfh s ASP 172 N -1.33 6.72 0.00 4.37 -1.08 -1.06 -4.86 116.67 119.43 3mfh s ASP 172 Ca 0.00 1.17 0.22 0.00 -0.52 0.00 0.00 52.55 53.41 3mfh s ASP 172 Cb 0.00 -2.54 0.21 0.00 -1.46 0.00 0.00 42.92 39.13 3mfh s ASP 172 CO 0.00 -1.04 1.22 0.59 0.52 0.00 0.00 175.17 176.46 3mfh n ASN 173 N 7.48 2.91 -0.08 -0.34 3.02 -1.26 -4.18 115.26 122.82 3mfh n ASN 173 Ca 0.14 -1.92 -0.08 0.00 -0.03 0.00 0.00 54.58 52.69 3mfh n ASN 173 Cb 0.47 -0.04 -0.12 0.00 -0.61 0.00 0.00 39.78 39.48 3mfh n ASN 173 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mfh n GLU 174 N 1.26 1.38 -1.69 3.52 1.02 -1.26 -4.85 120.64 120.00 3mfh n GLU 174 Ca 0.14 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.84 3mfh n GLU 174 Cb 0.55 -1.40 -0.04 0.00 -0.02 0.00 0.00 31.44 30.54 3mfh n GLU 174 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3mfh n TYR 175 N -2.62 2.53 -3.97 -0.32 9.36 -1.26 -4.90 117.16 115.98 3mfh n TYR 175 Ca -0.26 0.13 -0.35 0.00 3.32 0.00 0.00 57.90 60.74 3mfh n TYR 175 Cb 0.99 -2.62 -0.09 0.00 -0.63 0.00 0.00 39.34 36.99 3mfh n TYR 175 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 3mfh s GLU 176 N 1.17 3.95 -0.15 2.98 2.02 -1.26 -1.13 118.70 126.27 3mfh s GLU 176 Ca 0.77 -0.31 -0.27 0.00 0.02 0.00 0.00 54.97 55.18 3mfh s GLU 176 Cb -0.58 -3.23 -0.24 0.00 0.10 0.00 0.00 34.13 30.18 3mfh s GLU 176 CO 0.35 0.32 0.63 -0.07 0.02 0.00 0.00 175.26 176.51 3mfh h LEU 177 N 6.54 0.00 0.00 1.80 4.07 -1.03 -3.46 115.31 123.23 3mfh h LEU 177 Ca -0.39 -0.86 -0.51 0.00 0.08 0.00 0.00 57.88 56.20 3mfh h LEU 177 Cb 1.17 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.78 3mfh h LEU 177 CO 0.70 1.08 -0.46 0.35 -1.08 0.00 0.00 178.44 179.04 3mfh n THR 178 N -4.58 0.00 0.30 0.22 -2.24 -0.80 -4.88 114.28 102.30 3mfh n THR 178 Ca -0.14 -2.37 0.18 0.00 -2.27 0.00 0.00 64.05 59.45 3mfh n THR 178 Cb 0.51 1.02 0.89 0.00 -2.10 0.00 0.00 70.33 70.64 3mfh n THR 178 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3mfh h GLY 179 N 1.80 0.00 -1.42 3.38 0.00 -2.04 -2.34 103.07 102.46 3mfh h GLY 179 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3mfh h GLY 179 CO 0.42 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.18 3mfh n ASP 180 N -3.28 2.55 -3.62 0.19 9.92 -1.26 -4.99 116.55 116.05 3mfh n ASP 180 Ca -0.02 -1.74 -0.19 0.00 -0.53 0.00 0.00 54.79 52.31 3mfh n ASP 180 Cb 0.20 -0.06 -0.16 0.00 -0.64 0.00 0.00 41.12 40.46 3mfh n ASP 180 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3mfh s LEU 181 N -1.30 0.01 0.26 0.64 2.96 -0.88 -5.11 118.68 115.28 3mfh s LEU 181 Ca 0.22 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 54.07 3mfh s LEU 181 Cb 0.14 0.16 -0.06 0.00 0.50 0.00 0.00 46.19 46.93 3mfh s LEU 181 CO 0.21 -0.28 0.57 -0.54 -1.32 0.00 0.00 176.35 174.99 3mfh s LYS 182 N 2.26 3.75 0.25 1.98 1.02 -1.26 -0.41 119.74 127.33 3mfh s LYS 182 Ca 0.04 0.21 -0.03 0.00 0.02 0.00 0.00 55.97 56.21 3mfh s LYS 182 Cb -0.13 -2.62 0.45 0.00 -0.52 0.00 0.00 37.83 35.00 3mfh s LYS 182 CO -0.07 0.25 1.80 1.25 -0.92 0.00 0.00 175.35 177.66 3mfh h LEU 183 N 2.15 0.69 -1.71 3.17 5.85 -1.45 -1.43 115.31 122.57 3mfh h LEU 183 Ca -0.47 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.39 3mfh h LEU 183 Cb 1.18 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3mfh h LEU 183 CO 0.68 0.37 0.34 0.07 -0.34 0.00 0.00 178.44 179.56 3mfh h LYS 184 N 0.79 0.33 0.12 1.25 2.10 -1.79 -0.69 116.57 118.68 3mfh h LYS 184 Ca 0.43 -0.02 -0.33 0.00 -2.00 0.00 0.00 60.65 58.73 3mfh h LYS 184 Cb 0.44 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 3mfh h LYS 184 CO -0.27 0.22 -1.69 -0.44 -2.00 0.00 0.00 179.45 175.26 3mfh h ASP 185 N 0.34 0.41 -0.95 7.07 3.32 -1.69 -3.04 116.42 121.89 3mfh h ASP 185 Ca 0.23 -0.66 0.09 0.00 0.02 0.00 0.00 57.03 56.71 3mfh h ASP 185 Cb 0.47 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 3mfh h ASP 185 CO -0.05 1.56 0.59 0.00 -1.72 0.00 0.00 179.24 179.62 3mfh h ALA 186 N 0.37 1.36 -0.89 3.45 0.00 -0.94 -2.96 119.26 119.65 3mfh h ALA 186 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.20 3mfh h ALA 186 Cb 2.04 -0.23 -0.25 0.00 0.00 0.00 0.00 17.79 19.35 3mfh h ALA 186 CO 0.14 0.28 0.51 1.28 0.00 0.00 0.00 179.25 181.46 3mfh n LEU 187 N -4.60 6.43 -0.10 0.00 4.77 -0.30 -4.62 117.00 118.57 3mfh n LEU 187 Ca 0.16 -3.50 0.01 0.00 -0.03 0.00 0.00 56.01 52.64 3mfh n LEU 187 Cb 0.25 -0.80 0.29 0.00 -2.33 0.00 0.00 43.42 40.84 3mfh n LEU 187 CO 0.29 0.99 1.12 0.77 -1.33 0.00 0.00 177.39 179.23 3mfh h SER 188 N 1.50 0.67 0.06 -1.43 4.64 -1.39 -1.27 113.55 116.34 3mfh h SER 188 Ca 0.51 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3mfh h SER 188 Cb 2.66 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 64.58 3mfh h SER 188 CO 0.96 0.56 -0.03 -1.13 -0.87 0.00 0.00 176.83 176.32 3mfh h ASN 189 N 0.76 -0.07 -0.46 4.97 -0.73 -1.87 -1.11 115.58 117.07 3mfh h ASN 189 Ca 0.19 -0.39 -0.09 0.00 1.87 0.00 0.00 56.30 57.89 3mfh h ASN 189 Cb 0.05 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.63 3mfh h ASN 189 CO -0.03 0.37 -0.02 -0.29 -0.37 0.00 0.00 177.43 177.09 3mfh h ILE 190 N -0.53 1.25 -0.32 2.57 2.10 -1.91 -1.95 117.51 118.74 3mfh h ILE 190 Ca -0.01 -1.09 -0.11 0.00 1.08 0.00 0.00 64.86 64.73 3mfh h ILE 190 Cb 0.46 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 37.05 3mfh h ILE 190 CO 0.01 0.39 -0.26 0.03 -1.08 0.00 0.00 178.15 177.24 3mfh h ARG 191 N 0.82 0.64 -0.43 2.19 3.08 -1.22 -1.40 114.38 118.06 3mfh h ARG 191 Ca 0.15 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3mfh h ARG 191 Cb 0.52 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3mfh h ARG 191 CO 0.03 0.84 0.22 1.49 -1.07 0.00 0.00 179.97 181.48 3mfh h GLU 192 N 0.56 0.61 -0.58 0.04 4.81 -1.00 -0.31 114.58 118.71 3mfh h GLU 192 Ca 0.07 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3mfh h GLU 192 Cb 0.74 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3mfh h GLU 192 CO 0.06 0.51 -0.01 0.00 -0.73 0.00 0.00 179.01 178.84 3mfh h ALA 193 N 1.07 0.79 -0.03 2.92 0.00 -1.16 0.21 119.26 123.05 3mfh h ALA 193 Ca 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3mfh h ALA 193 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3mfh h ALA 193 CO -0.02 0.64 -0.02 0.35 0.00 0.00 0.00 179.25 180.20 3mfh h PHE 194 N 0.93 0.08 -0.55 0.00 3.57 -1.11 -0.99 116.94 118.87 3mfh h PHE 194 Ca 0.16 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 3mfh h PHE 194 Cb 0.57 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3mfh h PHE 194 CO 0.04 0.48 0.04 0.82 -2.23 0.00 0.00 178.31 177.46 3mfh h ILE 195 N -0.35 1.25 0.00 1.41 1.08 -1.06 -2.71 117.51 117.13 3mfh h ILE 195 Ca 0.01 -1.02 -0.03 0.00 -0.39 0.00 0.00 64.86 63.42 3mfh h ILE 195 Cb 0.46 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 34.99 3mfh h ILE 195 CO 0.01 0.37 -0.16 1.23 -0.69 0.00 0.00 178.15 178.91 3mfh h GLY 196 N 1.00 0.00 -0.65 5.37 0.00 -0.48 -3.46 103.07 104.85 3mfh h GLY 196 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.26 3mfh h GLY 196 CO 0.02 0.00 -0.22 0.61 0.00 0.00 0.00 176.54 176.94 3mfh n GLY 197 N -1.01 1.16 1.42 4.60 0.00 -0.38 -4.89 105.19 106.08 3mfh n GLY 197 Ca -0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 3mfh n GLY 197 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mfh n ASN 198 N 0.09 3.74 -4.94 1.61 6.94 -1.25 -4.97 115.26 116.49 3mfh n ASN 198 Ca -0.12 -3.36 -0.26 0.00 -0.02 0.00 0.00 54.58 50.82 3mfh n ASN 198 Cb 0.40 -0.66 -0.03 0.00 -2.36 0.00 0.00 39.78 37.14 3mfh n ASN 198 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3mfh s TYR 199 N -3.05 3.48 -0.19 -2.53 -0.85 -1.26 -5.10 117.35 107.86 3mfh s TYR 199 Ca 0.48 0.28 -0.14 0.00 -0.52 0.00 0.00 57.07 57.17 3mfh s TYR 199 Cb 0.40 -1.81 -0.04 0.00 0.38 0.00 0.00 41.96 40.89 3mfh s TYR 199 CO 0.08 0.36 0.32 0.34 -1.52 0.00 0.00 175.55 175.13 3mfh s ASP 200 N -3.39 6.40 0.51 -0.18 -1.08 -1.26 -4.98 116.67 112.69 3mfh s ASP 200 Ca 0.38 0.46 0.18 0.00 -0.52 0.00 0.00 52.55 53.04 3mfh s ASP 200 Cb -0.11 -2.19 1.27 0.00 -1.46 0.00 0.00 42.92 40.43 3mfh s ASP 200 CO 0.30 0.03 2.10 -0.29 0.52 0.00 0.00 175.17 177.83 3mfh h ILE 201 N 4.86 0.94 -0.16 4.11 6.09 -1.99 -0.71 117.51 130.66 3mfh h ILE 201 Ca -0.39 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 3mfh h ILE 201 Cb 1.16 0.89 0.00 0.00 0.47 0.00 0.00 36.82 39.34 3mfh h ILE 201 CO 0.73 0.01 0.00 0.59 -3.07 0.00 0.00 178.15 176.41 3mfh n ASN 202 N -4.50 1.97 -4.82 2.19 5.03 -1.26 -0.57 115.26 113.30 3mfh n ASN 202 Ca 0.01 -1.72 -0.34 0.00 0.87 0.00 0.00 54.58 53.40 3mfh n ASN 202 Cb 0.22 -0.10 -0.07 0.00 -1.02 0.00 0.00 39.78 38.82 3mfh n ASN 202 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3mfh s SER 203 N -1.68 6.96 0.41 6.41 1.04 -0.27 -4.90 113.70 121.67 3mfh s SER 203 Ca 0.34 1.60 -0.25 0.00 0.48 0.00 0.00 55.95 58.12 3mfh s SER 203 Cb 0.19 -2.50 -0.08 0.00 0.10 0.00 0.00 66.02 63.73 3mfh s SER 203 CO 0.29 -0.27 1.19 -1.00 0.98 0.00 0.00 173.24 174.43 3mfh s HIS 204 N -2.03 2.99 0.73 5.02 3.76 -1.26 -1.64 115.29 122.85 3mfh s HIS 204 Ca 0.58 1.53 -0.16 0.00 -0.15 0.00 0.00 55.06 56.86 3mfh s HIS 204 Cb -0.11 -3.43 0.03 0.00 1.11 0.00 0.00 32.58 30.18 3mfh s HIS 204 CO 0.16 -1.47 1.16 1.28 -0.85 0.00 0.00 174.74 175.01 3mfh n LEU 205 N -0.02 4.64 -4.69 0.89 4.77 0.13 -4.75 117.00 117.97 3mfh n LEU 205 Ca 0.05 0.69 -0.32 0.00 -0.03 0.00 0.00 56.01 56.40 3mfh n LEU 205 Cb 0.46 -1.49 0.14 0.00 -2.33 0.00 0.00 43.42 40.20 3mfh n LEU 205 CO 0.51 -1.59 0.72 -2.16 -1.33 0.00 0.00 177.39 173.55 3mfh s PRO 206 N -3.62 1.45 0.42 3.23 0.04 -1.26 -3.36 135.00 131.89 3mfh s PRO 206 Ca 0.76 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 63.15 3mfh s PRO 206 Cb -0.34 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 3mfh s PRO 206 CO 0.47 -2.32 1.46 -0.11 0.04 0.00 0.00 177.00 176.53 3mfh n LEU 207 N -3.70 4.94 -4.68 -3.56 7.94 -1.26 -4.36 117.00 112.32 3mfh n LEU 207 Ca 0.12 1.17 -0.42 0.00 -1.11 0.00 0.00 56.01 55.78 3mfh n LEU 207 Cb 0.51 -1.61 0.00 0.00 0.53 0.00 0.00 43.42 42.86 3mfh n LEU 207 CO 0.49 -0.02 0.82 2.30 -1.11 0.00 0.00 177.39 179.87 3mfh n ILE 208 N 0.08 2.34 -2.44 1.96 -5.35 -1.26 -4.94 119.36 109.76 3mfh n ILE 208 Ca 0.03 -0.50 -0.39 0.00 -0.27 0.00 0.00 62.75 61.63 3mfh n ILE 208 Cb 0.40 -1.46 -0.04 0.00 -1.74 0.00 0.00 39.64 36.80 3mfh n ILE 208 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3mfh s PRO 209 N -2.04 4.38 0.31 6.28 0.04 -1.26 -4.94 135.00 137.77 3mfh s PRO 209 Ca 0.60 1.75 0.08 0.00 0.04 0.00 0.00 61.00 63.47 3mfh s PRO 209 Cb -0.55 -2.91 0.84 0.00 0.04 0.00 0.00 34.50 31.92 3mfh s PRO 209 CO 0.59 -0.01 1.74 0.93 0.04 0.00 0.00 177.00 180.29 3mfh h GLU 210 N 3.21 0.59 -0.03 4.56 4.39 -1.93 -2.33 114.58 123.03 3mfh h GLU 210 Ca -0.48 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.20 3mfh h GLU 210 Cb 1.22 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3mfh h GLU 210 CO 0.65 0.39 0.03 0.87 -1.16 0.00 0.00 179.01 179.79 3mfh h LYS 211 N 0.60 0.00 0.00 2.33 1.57 -1.92 -2.32 116.57 116.83 3mfh h LYS 211 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 3mfh h LYS 211 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3mfh h LYS 211 CO -0.46 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.39 3mfh h ILE 212 N 0.00 0.00 0.00 1.86 6.09 -1.67 -2.98 117.51 120.80 3mfh h ILE 212 Ca 0.01 -0.42 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 3mfh h ILE 212 Cb 0.08 1.31 0.00 0.00 0.47 0.00 0.00 36.82 38.68 3mfh h ILE 212 CO -0.00 0.00 0.00 0.29 -3.07 0.00 0.00 178.15 175.37 3mfh n LYS 213 N -2.36 0.06 0.00 2.19 5.02 -0.87 -1.40 118.16 120.80 3mfh n LYS 213 Ca 0.04 0.48 0.14 0.00 -2.02 0.00 0.00 58.31 56.95 3mfh n LYS 213 Cb 0.35 -1.67 0.63 0.00 -0.02 0.00 0.00 35.03 34.32 3mfh n LYS 213 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3mfh n SER 214 N -1.79 0.62 -4.76 4.39 7.64 -1.13 -4.83 113.62 113.77 3mfh n SER 214 Ca 0.01 -0.82 -0.41 0.00 1.01 0.00 0.00 58.87 58.65 3mfh n SER 214 Cb 0.07 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.21 3mfh n SER 214 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3mfh s LEU 215 N -2.32 4.42 0.02 -3.43 2.96 -0.49 -4.85 118.68 114.99 3mfh s LEU 215 Ca 0.33 2.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.84 3mfh s LEU 215 Cb 0.20 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 3mfh s LEU 215 CO 0.44 -0.55 0.11 -0.54 -1.32 0.00 0.00 176.35 174.49 3mfh s LYS 216 N -1.07 3.13 0.31 1.98 1.02 -1.26 -4.99 119.74 118.86 3mfh s LYS 216 Ca 0.53 -0.50 -0.25 0.00 0.02 0.00 0.00 55.97 55.77 3mfh s LYS 216 Cb -0.39 -2.89 -0.10 0.00 -0.52 0.00 0.00 37.83 33.93 3mfh s LYS 216 CO 0.47 0.63 0.91 -0.06 -0.92 0.00 0.00 175.35 176.38 3mfh s PHE 217 N -1.30 3.66 -0.32 3.18 0.40 -1.26 -4.73 117.98 117.61 3mfh s PHE 217 Ca 0.27 1.71 -0.10 0.00 -0.60 0.00 0.00 56.93 58.20 3mfh s PHE 217 Cb -0.12 -2.87 -0.01 0.00 0.51 0.00 0.00 43.02 40.53 3mfh s PHE 217 CO 0.18 0.21 0.18 -2.00 0.70 0.00 0.00 175.22 174.49 3mfh s GLU 218 N -2.12 3.38 0.00 0.44 2.56 -1.26 -4.99 118.70 116.71 3mfh s GLU 218 Ca 0.50 -0.70 0.00 0.00 0.00 0.00 0.00 54.97 54.77 3mfh s GLU 218 Cb -0.18 -3.63 0.00 0.00 2.00 0.00 0.00 34.13 32.32 3mfh s GLU 218 CO 0.23 -0.42 0.00 0.41 -0.56 0.00 0.00 175.26 174.91 3mfh n GLY 219 N 5.02 0.11 3.56 -1.50 0.00 -1.26 -4.72 105.19 106.39 3mfh n GLY 219 Ca -0.13 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 3mfh n GLY 219 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mfh s ASP 220 N -4.00 6.36 -0.34 1.61 1.01 0.43 -4.97 116.67 116.77 3mfh s ASP 220 Ca 0.00 0.01 -0.22 0.00 0.71 0.00 0.00 52.55 53.05 3mfh s ASP 220 Cb 0.00 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.64 3mfh s ASP 220 CO 0.00 -0.55 0.71 -0.69 0.21 0.00 0.00 175.17 174.85 3mfh s VAL 221 N 2.55 4.83 -0.26 -1.27 1.01 -1.26 -0.99 120.40 125.01 3mfh s VAL 221 Ca 0.21 0.82 -0.29 0.00 0.00 0.00 0.00 61.98 62.72 3mfh s VAL 221 Cb -0.15 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3mfh s VAL 221 CO 0.14 -0.32 1.77 0.12 0.00 0.00 0.00 175.10 176.81 3mfh s PHE 222 N 2.87 1.85 -0.46 5.22 5.36 -0.45 -4.86 117.98 127.51 3mfh s PHE 222 Ca 0.28 0.52 0.06 0.00 -0.96 0.00 0.00 56.93 56.83 3mfh s PHE 222 Cb -0.14 -4.06 0.31 0.00 -0.34 0.00 0.00 43.02 38.78 3mfh s PHE 222 CO 0.15 -3.18 1.09 -1.71 -1.46 0.00 0.00 175.22 170.10 3mfh n ASN 223 N 9.51 -2.40 0.25 6.13 5.15 -1.26 -4.72 115.26 127.91 3mfh n ASN 223 Ca 0.22 -3.58 0.13 0.00 -0.60 0.00 0.00 54.58 50.74 3mfh n ASN 223 Cb 0.46 1.89 0.64 0.00 -0.53 0.00 0.00 39.78 42.24 3mfh n ASN 223 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3mfh h PRO 224 N 3.14 0.00 -0.16 1.20 0.13 -1.96 -2.20 132.00 132.15 3mfh h PRO 224 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3mfh h PRO 224 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3mfh h PRO 224 CO 0.16 0.14 0.00 0.39 -0.23 0.00 0.00 178.00 178.46 3mfh n GLU 225 N -3.41 1.67 -3.41 0.86 -0.58 -1.26 -4.95 120.64 109.56 3mfh n GLU 225 Ca -0.01 -1.01 -0.24 0.00 -0.42 0.00 0.00 57.16 55.48 3mfh n GLU 225 Cb 0.32 -1.38 0.06 0.00 -0.57 0.00 0.00 31.44 29.86 3mfh n GLU 225 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mfh n GLY 226 N 1.10 -0.53 3.76 0.62 0.00 -0.83 -4.97 105.19 104.34 3mfh n GLY 226 Ca 0.16 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 3mfh n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mfh s ARG 227 N -6.12 2.76 0.25 1.61 0.52 -1.26 -4.96 118.95 111.76 3mfh s ARG 227 Ca 0.49 1.49 -0.31 0.00 -0.52 0.00 0.00 55.73 56.88 3mfh s ARG 227 Cb -0.22 -1.94 -0.13 0.00 0.52 0.00 0.00 34.95 33.18 3mfh s ARG 227 CO 0.60 -1.30 1.44 -0.25 0.02 0.00 0.00 175.30 175.81 3mfh n ASP 228 N -2.30 2.93 -0.04 0.23 9.92 -1.26 -4.94 116.55 121.09 3mfh n ASP 228 Ca 0.11 1.14 -0.15 0.00 -0.53 0.00 0.00 54.79 55.37 3mfh n ASP 228 Cb 0.51 -1.45 -0.09 0.00 -0.64 0.00 0.00 41.12 39.45 3mfh n ASP 228 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3mfh h LEU 229 N 4.30 0.40 -7.59 0.64 3.38 -1.98 -3.41 115.31 111.05 3mfh h LEU 229 Ca -0.45 -0.61 -0.63 0.00 0.09 0.00 0.00 57.88 56.28 3mfh h LEU 229 Cb 1.27 -0.12 -0.39 0.00 0.09 0.00 0.00 40.66 41.51 3mfh h LEU 229 CO 0.76 0.94 -0.76 -0.63 0.09 0.00 0.00 178.44 178.84 3mfh s ILE 230 N -3.79 1.69 0.00 1.22 1.01 -1.26 -4.88 121.20 115.19 3mfh s ILE 230 Ca -0.14 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 58.89 3mfh s ILE 230 Cb 0.04 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.44 3mfh s ILE 230 CO 0.77 -0.34 0.04 0.35 0.00 0.00 0.00 174.94 175.76 3mfh n THR 231 N 4.56 0.00 -3.81 2.92 -2.24 -1.26 -4.84 114.28 109.61 3mfh n THR 231 Ca -0.06 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 3mfh n THR 231 Cb 0.43 1.05 0.03 0.00 -2.10 0.00 0.00 70.33 69.74 3mfh n THR 231 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mfh s ASP 232 N -0.52 0.02 0.50 3.42 -1.08 -1.26 -4.83 116.67 112.92 3mfh s ASP 232 Ca 0.00 -1.14 0.27 0.00 -0.52 0.00 0.00 52.55 51.15 3mfh s ASP 232 Cb 0.00 0.84 1.32 0.00 -1.46 0.00 0.00 42.92 43.62 3mfh s ASP 232 CO 0.00 -1.67 2.01 -0.50 0.52 0.00 0.00 175.17 175.53 3mfh h TRP 233 N 2.00 0.00 -0.70 -5.34 4.06 -1.99 -2.08 115.95 111.90 3mfh h TRP 233 Ca -0.33 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.58 3mfh h TRP 233 Cb 1.25 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.38 3mfh h TRP 233 CO 1.42 0.15 0.27 0.38 -3.56 0.00 0.00 178.44 177.10 3mfh h ASP 234 N 0.00 0.95 -0.14 -3.49 2.03 -1.93 -1.28 116.42 112.56 3mfh h ASP 234 Ca -0.00 -0.14 -0.13 0.00 -0.73 0.00 0.00 57.03 56.03 3mfh h ASP 234 Cb 0.44 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.69 3mfh h ASP 234 CO 0.02 0.86 -0.35 0.44 -1.03 0.00 0.00 179.24 179.18 3mfh h ASP 235 N 1.01 0.68 -0.05 4.15 3.32 -1.72 -0.84 116.42 122.96 3mfh h ASP 235 Ca 0.23 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3mfh h ASP 235 Cb 0.21 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3mfh h ASP 235 CO -0.02 0.97 0.02 0.58 -1.72 0.00 0.00 179.24 179.07 3mfh h VAL 236 N 0.55 1.17 -0.46 -1.35 2.07 -1.23 -1.22 116.25 115.78 3mfh h VAL 236 Ca 0.06 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3mfh h VAL 236 Cb 0.86 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3mfh h VAL 236 CO 0.07 0.14 0.24 0.40 0.02 0.00 0.00 177.57 178.44 3mfh h ILE 237 N -0.10 1.17 -0.77 4.57 1.08 -1.14 -1.81 117.51 120.51 3mfh h ILE 237 Ca 0.02 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 64.04 3mfh h ILE 237 Cb 0.20 0.63 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 3mfh h ILE 237 CO -0.00 0.18 0.46 0.25 -0.69 0.00 0.00 178.15 178.35 3mfh h LEU 238 N 0.60 0.92 -0.27 1.44 5.85 -1.11 0.14 115.31 122.88 3mfh h LEU 238 Ca 0.16 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3mfh h LEU 238 Cb 0.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3mfh h LEU 238 CO -0.02 0.71 -0.04 0.00 -0.34 0.00 0.00 178.44 178.75 3mfh h ALA 239 N 1.25 0.38 -0.43 1.25 0.00 -0.97 0.18 119.26 120.91 3mfh h ALA 239 Ca 0.28 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3mfh h ALA 239 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3mfh h ALA 239 CO -0.05 0.16 0.21 -0.07 0.00 0.00 0.00 179.25 179.50 3mfh h LEU 240 N 0.28 0.31 -0.73 0.00 3.38 -1.13 -2.04 115.31 115.38 3mfh h LEU 240 Ca 0.07 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.17 3mfh h LEU 240 Cb 0.50 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 3mfh h LEU 240 CO 0.02 0.22 0.35 1.23 0.09 0.00 0.00 178.44 180.36 3mfh h GLY 241 N 0.43 1.11 1.44 0.83 0.00 -0.44 -1.28 103.07 105.15 3mfh h GLY 241 Ca 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3mfh h GLY 241 CO -0.13 0.02 0.17 1.48 0.00 0.00 0.00 176.54 178.08 3mfh h SER 242 N 0.57 0.65 -0.20 0.19 4.64 -0.10 0.23 113.55 119.53 3mfh h SER 242 Ca 0.37 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 3mfh h SER 242 Cb 0.44 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3mfh h SER 242 CO -0.30 0.61 0.07 1.56 -0.87 0.00 0.00 176.83 177.90 3mfh h GLN 243 N 0.70 0.31 -0.47 4.77 1.08 -0.65 -2.25 115.11 118.60 3mfh h GLN 243 Ca 0.17 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.19 3mfh h GLN 243 Cb 0.19 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3mfh h GLN 243 CO -0.01 0.39 -0.15 0.28 -0.95 0.00 0.00 178.83 178.39 3mfh h VAL 244 N 0.17 1.27 -0.91 -0.54 2.07 -0.94 -2.88 116.25 114.48 3mfh h VAL 244 Ca 0.07 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.31 3mfh h VAL 244 Cb 0.20 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3mfh h VAL 244 CO -0.00 0.45 0.60 0.00 0.02 0.00 0.00 177.57 178.63 3mfh h LYS 246 N 1.21 1.11 -0.71 0.00 1.63 -1.27 -0.36 116.57 118.18 3mfh h LYS 246 Ca 0.34 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 60.10 3mfh h LYS 246 Cb -0.10 -0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 31.24 3mfh h LYS 246 CO -0.09 0.74 0.45 0.78 -3.45 0.00 0.00 179.45 177.88 3mfh h GLY 247 N 1.14 1.01 0.85 5.01 0.00 -1.05 -0.49 103.07 109.53 3mfh h GLY 247 Ca 0.31 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 3mfh h GLY 247 CO -0.07 0.31 -0.07 -2.22 0.00 0.00 0.00 176.54 174.49 3mfh h ILE 248 N 0.89 1.29 -0.54 2.60 2.04 -0.76 -2.37 117.51 120.66 3mfh h ILE 248 Ca 0.28 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 3mfh h ILE 248 Cb -0.02 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3mfh h ILE 248 CO -0.09 0.34 0.24 0.03 0.00 0.00 0.00 178.15 178.66 3mfh h ARG 249 N 0.23 0.77 -0.31 2.37 3.08 -0.88 -1.80 114.38 117.84 3mfh h ARG 249 Ca 0.06 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 3mfh h ARG 249 Cb 0.54 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3mfh h ARG 249 CO 0.03 0.62 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.99 3mfh h ASP 250 N 0.77 0.51 -0.57 7.04 3.32 -0.92 -1.24 116.42 125.34 3mfh h ASP 250 Ca 0.19 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 3mfh h ASP 250 Cb 0.12 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3mfh h ASP 250 CO -0.02 0.66 0.05 0.28 -1.72 0.00 0.00 179.24 178.49 3mfh h SER 251 N 0.49 0.94 -0.51 6.45 0.02 -0.81 0.30 113.55 120.42 3mfh h SER 251 Ca 0.09 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 3mfh h SER 251 Cb 0.50 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3mfh h SER 251 CO 0.03 0.99 0.33 0.40 -1.14 0.00 0.00 176.83 177.44 3mfh h ILE 252 N 0.86 1.12 -0.28 3.27 1.08 -1.16 -0.20 117.51 122.20 3mfh h ILE 252 Ca 0.17 -0.23 -0.08 0.00 -0.39 0.00 0.00 64.86 64.33 3mfh h ILE 252 Cb 0.48 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 3mfh h ILE 252 CO 0.02 0.12 -0.13 0.50 -0.69 0.00 0.00 178.15 177.97 3mfh h LYS 253 N 0.68 0.57 -0.27 2.37 3.64 -0.88 -0.53 116.57 122.15 3mfh h LYS 253 Ca 0.19 -0.25 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 3mfh h LYS 253 Cb -0.06 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3mfh h LYS 253 CO -0.05 0.82 -0.34 -0.44 -2.27 0.00 0.00 179.45 177.17 3mfh h ASP 254 N 0.31 0.76 0.04 4.20 3.32 -0.39 -0.46 116.42 124.20 3mfh h ASP 254 Ca 0.06 -0.50 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 3mfh h ASP 254 Cb 0.64 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.98 3mfh h ASP 254 CO 0.04 1.11 -0.29 0.40 -1.72 0.00 0.00 179.24 178.77 3mfh h ILE 255 N 0.44 1.65 0.00 0.35 2.04 -1.09 -3.40 117.51 117.50 3mfh h ILE 255 Ca 0.03 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.61 3mfh h ILE 255 Cb 0.92 3.17 0.00 0.00 -0.74 0.00 0.00 36.82 40.17 3mfh h ILE 255 CO 0.08 0.62 -1.80 0.18 0.00 0.00 0.00 178.15 177.22 3mfh n LEU 256 N -4.45 0.01 0.00 1.44 4.77 -0.22 -5.00 117.00 113.54 3mfh n LEU 256 Ca -0.11 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3mfh n LEU 256 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3mfh n LEU 256 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3mfh n GLY 257 N 1.49 0.70 3.80 -0.72 0.00 -0.18 -5.01 105.19 105.26 3mfh n GLY 257 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3mfh n GLY 257 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mfh s TYR 258 N -2.44 3.57 0.25 1.61 4.12 -1.23 -4.91 117.35 118.33 3mfh s TYR 258 Ca 0.00 0.69 -0.10 0.00 0.02 0.00 0.00 57.07 57.68 3mfh s TYR 258 Cb 0.00 -2.22 -0.07 0.00 -1.52 0.00 0.00 41.96 38.15 3mfh s TYR 258 CO 0.00 0.49 0.59 0.95 0.02 0.00 0.00 175.55 177.59 3mfh s THR 259 N -0.37 4.89 0.10 -0.71 -4.23 -1.26 -3.32 115.64 110.74 3mfh s THR 259 Ca 0.18 0.52 0.04 0.00 -1.18 0.00 0.00 61.69 61.25 3mfh s THR 259 Cb -0.14 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 3mfh s THR 259 CO 0.06 -0.12 -0.11 0.42 -0.54 0.00 0.00 174.62 174.34 3mfh s THR 260 N -1.88 0.98 0.15 3.99 -4.23 -1.26 -1.15 115.64 112.22 3mfh s THR 260 Ca 0.48 -1.61 0.06 0.00 -1.18 0.00 0.00 61.69 59.44 3mfh s THR 260 Cb -0.11 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 3mfh s THR 260 CO 0.22 -0.52 0.02 -0.44 -0.54 0.00 0.00 174.62 173.36 3mfh s SER 261 N -2.38 4.98 -0.06 3.99 0.01 -0.47 -2.50 113.70 117.27 3mfh s SER 261 Ca 0.05 -0.28 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 3mfh s SER 261 Cb -0.04 -1.15 0.02 0.00 0.21 0.00 0.00 66.02 65.06 3mfh s SER 261 CO 0.00 0.11 0.23 0.00 0.41 0.00 0.00 173.24 174.00 3mfh s GLY 263 N -0.35 1.28 -0.10 0.00 0.00 -0.06 -0.23 107.32 107.85 3mfh s GLY 263 Ca -0.05 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.67 3mfh s GLY 263 CO 0.01 -0.63 -0.17 1.08 0.00 0.00 0.00 173.10 173.40 3mfh s LEU 264 N -0.15 1.79 0.00 0.66 1.43 -0.23 -1.25 118.68 120.94 3mfh s LEU 264 Ca -0.04 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 3mfh s LEU 264 Cb -0.14 -1.11 0.06 0.00 0.03 0.00 0.00 46.19 45.02 3mfh s LEU 264 CO 0.04 0.05 0.75 -1.54 0.23 0.00 0.00 176.35 175.88 3mfh n SER 265 N 4.00 -1.40 -0.02 2.29 3.41 -1.00 -0.64 113.62 120.25 3mfh n SER 265 Ca -0.20 -1.79 0.15 0.00 -0.26 0.00 0.00 58.87 56.78 3mfh n SER 265 Cb 0.52 2.29 0.86 0.00 -0.26 0.00 0.00 64.21 67.61 3mfh n SER 265 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mfh n SER 266 N -1.18 0.07 -3.87 4.04 3.41 -1.25 -1.11 113.62 113.73 3mfh n SER 266 Ca -0.03 -0.71 -0.11 0.00 -0.26 0.00 0.00 58.87 57.76 3mfh n SER 266 Cb 0.45 -0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 3mfh n SER 266 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mfh s THR 267 N -2.21 0.08 0.21 6.66 -4.23 -1.26 -4.62 115.64 110.26 3mfh s THR 267 Ca 0.40 -0.66 -0.10 0.00 -1.18 0.00 0.00 61.69 60.15 3mfh s THR 267 Cb 0.21 -0.42 0.14 0.00 1.34 0.00 0.00 72.50 73.77 3mfh s THR 267 CO 0.40 -0.36 1.82 0.11 -0.54 0.00 0.00 174.62 176.05 3mfh h LYS 268 N 4.34 0.69 -0.55 3.99 1.57 -1.85 -1.07 116.57 123.71 3mfh h LYS 268 Ca -0.31 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3mfh h LYS 268 Cb 1.19 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 3mfh h LYS 268 CO 0.41 0.46 0.36 -0.97 -0.57 0.00 0.00 179.45 179.14 3mfh h ASN 269 N 0.72 0.63 0.04 0.86 -1.24 -1.96 -1.67 115.58 112.95 3mfh h ASN 269 Ca 0.29 -0.02 -0.19 0.00 0.71 0.00 0.00 56.30 57.09 3mfh h ASN 269 Cb 0.14 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.03 3mfh h ASN 269 CO -0.16 0.46 -0.69 0.58 -1.29 0.00 0.00 177.43 176.34 3mfh h VAL 270 N 0.74 1.33 -0.67 2.57 2.07 -1.84 -2.91 116.25 117.55 3mfh h VAL 270 Ca 0.20 -1.98 0.06 0.00 0.82 0.00 0.00 66.70 65.80 3mfh h VAL 270 Cb -0.08 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3mfh h VAL 270 CO -0.04 0.61 0.37 0.00 0.02 0.00 0.00 177.57 178.53 3mfh h LYS 272 N 0.69 1.13 -0.48 0.00 3.64 -1.17 0.22 116.57 120.61 3mfh h LYS 272 Ca 0.30 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3mfh h LYS 272 Cb 0.17 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3mfh h LYS 272 CO -0.17 1.02 0.23 -0.07 -2.27 0.00 0.00 179.45 178.19 3mfh h LEU 273 N 1.06 0.63 -0.79 5.20 3.38 -1.31 -3.22 115.31 120.27 3mfh h LEU 273 Ca 0.21 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3mfh h LEU 273 Cb 0.42 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3mfh h LEU 273 CO 0.01 0.58 -0.16 0.00 0.09 0.00 0.00 178.44 178.96 3mfh h ALA 274 N 1.07 0.97 0.00 1.53 0.00 -0.64 -2.64 119.26 119.55 3mfh h ALA 274 Ca 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3mfh h ALA 274 Cb 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3mfh h ALA 274 CO -0.02 0.60 -0.12 0.66 0.00 0.00 0.00 179.25 180.38 3mfh h SER 275 N 0.66 0.00 0.13 0.00 4.64 -0.98 -1.75 113.55 116.25 3mfh h SER 275 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3mfh h SER 275 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3mfh h SER 275 CO 0.04 0.12 -0.26 -3.20 -0.87 0.00 0.00 176.83 172.67 3mfh n ASN 276 N -3.69 1.40 -0.12 4.97 5.15 -1.01 -4.14 115.26 117.81 3mfh n ASN 276 Ca -0.02 -1.16 -0.13 0.00 -0.60 0.00 0.00 54.58 52.67 3mfh n ASN 276 Cb 0.23 0.18 -0.02 0.00 -0.53 0.00 0.00 39.78 39.65 3mfh n ASN 276 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3mfh h TYR 277 N 1.79 1.14 -3.37 1.20 3.20 -1.10 -3.43 116.97 116.40 3mfh h TYR 277 Ca 0.00 -0.34 -0.39 0.00 3.14 0.00 0.00 58.73 61.14 3mfh h TYR 277 Cb 0.58 -0.24 -0.36 0.00 1.54 0.00 0.00 36.73 38.25 3mfh h TYR 277 CO 0.00 1.17 -0.76 0.21 -1.64 0.00 0.00 178.16 177.14 3mfh s LYS 278 N -4.42 0.45 0.02 1.82 2.20 -1.26 -5.14 119.74 113.41 3mfh s LYS 278 Ca -0.11 0.11 -0.07 0.00 -0.36 0.00 0.00 55.97 55.53 3mfh s LYS 278 Cb 0.11 -0.74 -0.00 0.00 -1.51 0.00 0.00 37.83 35.69 3mfh s LYS 278 CO 0.88 -0.22 0.14 0.15 -0.36 0.00 0.00 175.35 175.94 3mfh s LYS 279 N 1.56 0.58 0.71 4.03 1.02 -1.26 -4.52 119.74 121.86 3mfh s LYS 279 Ca -0.02 -0.58 -0.03 0.00 0.02 0.00 0.00 55.97 55.36 3mfh s LYS 279 Cb -0.13 0.24 0.11 0.00 -0.52 0.00 0.00 37.83 37.53 3mfh s LYS 279 CO -0.03 -0.15 0.99 -1.25 -0.92 0.00 0.00 175.35 173.99 3mfh s PRO 280 N -2.13 1.81 -1.13 -1.68 0.04 -1.26 -5.02 135.00 125.63 3mfh s PRO 280 Ca -0.09 -0.88 -0.11 0.00 0.04 0.00 0.00 61.00 59.96 3mfh s PRO 280 Cb -0.04 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 3mfh s PRO 280 CO -0.02 -1.38 0.84 -3.47 0.04 0.00 0.00 177.00 173.02 3mfh n ASP 281 N -2.84 -5.20 -3.71 6.66 2.03 -1.16 -4.97 116.55 107.36 3mfh n ASP 281 Ca 0.13 -0.85 -0.10 0.00 0.52 0.00 0.00 54.79 54.49 3mfh n ASP 281 Cb 0.60 -4.32 -0.06 0.00 -0.72 0.00 0.00 41.12 36.63 3mfh n ASP 281 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mfh s ALA 282 N -3.46 -0.69 -0.13 -1.67 0.00 -1.04 -5.00 121.76 109.77 3mfh s ALA 282 Ca 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 3mfh s ALA 282 Cb -0.09 0.61 0.04 0.00 0.00 0.00 0.00 23.12 23.67 3mfh s ALA 282 CO 0.80 -0.59 -0.02 -1.14 0.00 0.00 0.00 175.76 174.81 3mfh s GLN 283 N -3.75 1.03 -0.20 0.00 0.74 -1.26 -1.22 119.66 114.99 3mfh s GLN 283 Ca 0.03 -0.24 -0.06 0.00 0.05 0.00 0.00 55.36 55.14 3mfh s GLN 283 Cb 0.03 -1.60 -0.03 0.00 1.10 0.00 0.00 33.01 32.50 3mfh s GLN 283 CO -0.11 -0.40 0.03 0.99 -0.55 0.00 0.00 175.29 175.25 3mfh s THR 284 N 1.80 4.31 -0.18 -0.34 2.01 0.68 -0.42 115.64 123.50 3mfh s THR 284 Ca 0.03 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 3mfh s THR 284 Cb -0.14 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 3mfh s THR 284 CO -0.07 0.42 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.61 3mfh s ILE 285 N 0.85 3.65 -0.39 1.82 1.01 -0.16 -1.07 121.20 126.91 3mfh s ILE 285 Ca 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 3mfh s ILE 285 Cb -0.14 -2.62 0.11 0.00 0.01 0.00 0.00 42.46 39.81 3mfh s ILE 285 CO 0.02 0.46 0.16 -0.69 0.00 0.00 0.00 174.94 174.89 3mfh s VAL 286 N 0.86 3.05 0.67 2.92 1.01 0.19 -1.33 120.40 127.76 3mfh s VAL 286 Ca -0.01 -2.10 -0.17 0.00 0.00 0.00 0.00 61.98 59.70 3mfh s VAL 286 Cb -0.15 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 3mfh s VAL 286 CO 0.01 -0.65 1.22 0.29 0.00 0.00 0.00 175.10 175.97 3mfh n LYS 287 N 4.52 0.92 -0.33 2.72 5.02 -1.26 -4.52 118.16 125.23 3mfh n LYS 287 Ca -0.01 0.37 0.05 0.00 -2.02 0.00 0.00 58.31 56.70 3mfh n LYS 287 Cb 0.42 -2.46 0.20 0.00 -0.02 0.00 0.00 35.03 33.17 3mfh n LYS 287 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3mfh h ASN 288 N 0.27 0.79 0.59 4.39 2.35 -1.97 -0.64 115.58 121.37 3mfh h ASN 288 Ca -0.50 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3mfh h ASN 288 Cb 1.34 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.60 3mfh h ASN 288 CO 0.51 0.43 0.00 0.47 -1.65 0.00 0.00 177.43 177.19 3mfh n ASP 289 N -4.69 0.00 -0.88 5.81 8.00 -1.26 -2.26 116.55 121.27 3mfh n ASP 289 Ca 0.16 0.45 0.08 0.00 0.71 0.00 0.00 54.79 56.19 3mfh n ASP 289 Cb 0.32 -0.48 0.21 0.00 -0.02 0.00 0.00 41.12 41.15 3mfh n ASP 289 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mfh h LEU 291 N 2.84 0.53 -0.36 0.00 3.38 -1.09 -1.09 115.31 119.51 3mfh h LEU 291 Ca 0.00 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 3mfh h LEU 291 Cb 0.82 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3mfh h LEU 291 CO 0.00 0.49 -0.56 -0.07 0.09 0.00 0.00 178.44 178.40 3mfh h LEU 292 N 0.53 0.87 -0.89 1.67 3.38 -1.83 -0.32 115.31 118.72 3mfh h LEU 292 Ca 0.14 -0.47 0.10 0.00 0.09 0.00 0.00 57.88 57.75 3mfh h LEU 292 Cb 0.09 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 3mfh h LEU 292 CO -0.02 1.24 0.53 0.44 0.09 0.00 0.00 178.44 180.72 3mfh h ASP 293 N 0.59 0.77 0.15 -0.43 3.32 -1.81 -0.72 116.42 118.29 3mfh h ASP 293 Ca 0.01 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3mfh h ASP 293 Cb 1.15 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3mfh h ASP 293 CO 0.12 0.43 -0.07 0.15 -1.72 0.00 0.00 179.24 178.14 3mfh h PHE 294 N 0.87 -0.19 -0.10 4.55 3.57 -0.96 -2.89 116.94 121.79 3mfh h PHE 294 Ca 0.43 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.94 3mfh h PHE 294 Cb 0.39 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 3mfh h PHE 294 CO -0.04 0.24 0.07 -0.07 -2.23 0.00 0.00 178.31 176.28 3mfh h LEU 295 N -0.87 0.05 -2.93 0.59 3.38 -1.03 -2.30 115.31 112.19 3mfh h LEU 295 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3mfh h LEU 295 Cb 0.52 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3mfh h LEU 295 CO 0.03 0.04 0.00 0.47 0.09 0.00 0.00 178.44 179.07 3mfh n ASP 296 N -4.52 4.47 0.06 -0.43 8.00 -0.28 -4.51 116.55 119.34 3mfh n ASP 296 Ca -0.01 -2.34 0.08 0.00 0.71 0.00 0.00 54.79 53.23 3mfh n ASP 296 Cb 0.14 -0.55 0.35 0.00 -0.02 0.00 0.00 41.12 41.04 3mfh n ASP 296 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mfh n GLY 298 N -0.41 0.99 0.19 0.00 0.00 -1.26 -4.96 105.19 99.74 3mfh n GLY 298 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3mfh n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mfh h LYS 299 N 2.56 0.00 -6.65 1.61 1.57 -1.88 -3.48 116.57 110.29 3mfh h LYS 299 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 3mfh h LYS 299 Cb 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.09 3mfh h LYS 299 CO 0.00 0.01 -0.85 -0.06 -0.57 0.00 0.00 179.45 177.98 3mfh s PHE 300 N -3.24 2.13 0.30 -1.35 2.99 -1.26 -5.06 117.98 112.50 3mfh s PHE 300 Ca 0.05 -0.39 0.03 0.00 0.00 0.00 0.00 56.93 56.62 3mfh s PHE 300 Cb 0.06 -1.16 -0.04 0.00 0.00 0.00 0.00 43.02 41.88 3mfh s PHE 300 CO 0.70 0.29 0.14 -1.21 -0.00 0.00 0.00 175.22 175.14 3mfh s GLU 301 N -2.01 1.58 0.51 0.44 0.41 -1.26 -4.69 118.70 113.69 3mfh s GLU 301 Ca 0.11 -1.90 0.16 0.00 -0.41 0.00 0.00 54.97 52.93 3mfh s GLU 301 Cb -0.10 -0.21 1.25 0.00 -1.78 0.00 0.00 34.13 33.30 3mfh s GLU 301 CO 0.05 -0.41 2.13 0.97 -0.49 0.00 0.00 175.26 177.52 3mfh h ILE 302 N 2.21 0.99 0.00 -1.63 6.09 -1.97 0.51 117.51 123.71 3mfh h ILE 302 Ca -0.35 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 3mfh h ILE 302 Cb 1.25 0.95 0.00 0.00 0.47 0.00 0.00 36.82 39.49 3mfh h ILE 302 CO 0.55 0.01 0.00 0.35 -3.07 0.00 0.00 178.15 175.99 3mfh n THR 303 N -4.53 0.64 0.30 2.19 -2.24 -1.26 -2.38 114.28 107.00 3mfh n THR 303 Ca -0.02 0.16 0.14 0.00 -2.27 0.00 0.00 64.05 62.07 3mfh n THR 303 Cb 0.12 -0.85 0.44 0.00 -2.10 0.00 0.00 70.33 67.94 3mfh n THR 303 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3mfh h SER 304 N 0.00 0.00 -3.70 3.42 0.02 -1.18 -3.25 113.55 108.85 3mfh h SER 304 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 3mfh h SER 304 Cb 0.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3mfh h SER 304 CO 0.00 0.00 0.33 -0.36 -1.14 0.00 0.00 176.83 175.66 3mfh s PHE 305 N -3.40 3.96 0.09 3.45 0.08 -1.00 -4.95 117.98 116.20 3mfh s PHE 305 Ca 0.05 1.87 -0.35 0.00 0.12 0.00 0.00 56.93 58.62 3mfh s PHE 305 Cb 0.08 -2.97 -0.14 0.00 -0.57 0.00 0.00 43.02 39.41 3mfh s PHE 305 CO 0.58 0.43 1.56 1.87 -0.10 0.00 0.00 175.22 179.57 3mfh n TRP 306 N 1.70 2.09 0.00 0.36 -0.00 -1.26 -0.69 117.44 119.63 3mfh n TRP 306 Ca -0.02 0.34 0.00 0.00 -0.00 0.00 0.00 57.50 57.82 3mfh n TRP 306 Cb 0.47 -2.50 0.00 0.00 -0.00 0.00 0.00 31.31 29.28 3mfh n TRP 306 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 3mfh n THR 307 N 3.46 0.00 -0.13 5.87 -2.24 -1.26 -4.86 114.28 115.12 3mfh n THR 307 Ca 0.18 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.04 3mfh n THR 307 Cb 0.26 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.69 3mfh n THR 307 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3mfh n LEU 308 N 0.00 3.21 -0.10 3.22 4.77 0.13 -4.54 117.00 123.69 3mfh n LEU 308 Ca 0.00 -1.86 0.15 0.00 -0.03 0.00 0.00 56.01 54.27 3mfh n LEU 308 Cb 0.00 -0.29 0.83 0.00 -2.33 0.00 0.00 43.42 41.63 3mfh n LEU 308 CO 0.00 0.78 1.04 0.61 -1.33 0.00 0.00 177.39 178.49 3mfh n GLY 309 N 0.96 -0.79 0.00 -0.72 0.00 -1.22 -3.73 105.19 99.69 3mfh n GLY 309 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3mfh n GLY 309 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mfh n GLY 310 N 1.02 5.12 0.26 -0.02 0.00 -1.26 -4.97 105.19 105.34 3mfh n GLY 310 Ca 0.22 -1.31 -0.05 0.00 0.00 0.00 0.00 46.02 44.88 3mfh n GLY 310 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3mfh h VAL 311 N 0.00 1.26 -0.47 1.61 -1.51 -1.93 -2.04 116.25 113.18 3mfh h VAL 311 Ca 0.00 -1.21 0.02 0.00 -1.23 0.00 0.00 66.70 64.29 3mfh h VAL 311 Cb 0.00 1.17 -0.03 0.00 -2.13 0.00 0.00 31.29 30.30 3mfh h VAL 311 CO 0.00 0.40 0.27 0.25 -1.23 0.00 0.00 177.57 177.26 3mfh h LEU 312 N 0.59 0.43 -0.55 4.19 5.85 -1.90 0.14 115.31 124.07 3mfh h LEU 312 Ca 0.09 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3mfh h LEU 312 Cb 0.63 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3mfh h LEU 312 CO 0.04 0.30 0.35 1.23 -0.34 0.00 0.00 178.44 180.02 3mfh h GLY 313 N 0.54 0.77 1.04 3.75 0.00 -1.56 0.27 103.07 107.89 3mfh h GLY 313 Ca 0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3mfh h GLY 313 CO -0.10 0.25 0.13 0.50 0.00 0.00 0.00 176.54 177.32 3mfh h LYS 314 N 0.70 1.03 -0.97 4.80 1.57 -0.93 -1.41 116.57 121.36 3mfh h LYS 314 Ca 0.21 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3mfh h LYS 314 Cb -0.03 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.10 3mfh h LYS 314 CO -0.07 0.95 0.64 1.49 -0.57 0.00 0.00 179.45 181.89 3mfh h GLU 315 N 0.95 1.28 -0.58 3.15 4.81 -0.27 -2.62 114.58 121.31 3mfh h GLU 315 Ca 0.20 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 3mfh h GLU 315 Cb 0.40 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3mfh h GLU 315 CO 0.01 0.85 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.06 3mfh h LEU 316 N 1.32 0.99 -0.83 1.64 3.38 -0.54 0.20 115.31 121.48 3mfh h LEU 316 Ca 0.36 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3mfh h LEU 316 Cb -0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.28 3mfh h LEU 316 CO -0.08 1.04 0.50 0.40 0.09 0.00 0.00 178.44 180.40 3mfh h ILE 317 N 0.92 1.00 0.44 1.22 2.04 -1.01 0.79 117.51 122.91 3mfh h ILE 317 Ca 0.17 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3mfh h ILE 317 Cb 0.55 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3mfh h ILE 317 CO 0.03 0.16 -0.21 -0.78 0.00 0.00 0.00 178.15 177.35 3mfh h ASP 318 N 0.89 -0.50 -0.54 1.72 3.58 -1.03 -0.89 116.42 119.65 3mfh h ASP 318 Ca 0.37 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.68 3mfh h ASP 318 Cb 0.22 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 3mfh h ASP 318 CO -0.19 -0.10 0.14 0.58 -2.88 0.00 0.00 179.24 176.79 3mfh h VAL 319 N -1.01 1.24 -0.33 2.25 2.07 -0.53 -2.72 116.25 117.21 3mfh h VAL 319 Ca -0.06 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3mfh h VAL 319 Cb 0.56 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3mfh h VAL 319 CO 0.10 0.32 0.00 0.18 0.02 0.00 0.00 177.57 178.19 3mfh n LEU 320 N -4.26 2.05 -3.85 2.57 4.77 0.26 -4.94 117.00 113.60 3mfh n LEU 320 Ca 0.04 -0.98 -0.29 0.00 -0.03 0.00 0.00 56.01 54.76 3mfh n LEU 320 Cb 0.24 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3mfh n LEU 320 CO 0.41 0.49 0.13 0.47 -1.33 0.00 0.00 177.39 177.56 3mfh n ASP 321 N 0.60 -5.05 -4.77 -1.43 8.00 -0.99 -4.93 116.55 107.98 3mfh n ASP 321 Ca 0.14 -0.73 -0.38 0.00 0.71 0.00 0.00 54.79 54.53 3mfh n ASP 321 Cb 0.34 -4.12 -0.05 0.00 -0.02 0.00 0.00 41.12 37.28 3mfh n ASP 321 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3mfh s LEU 322 N -7.28 4.34 0.86 0.64 1.43 -0.37 -5.04 118.68 113.25 3mfh s LEU 322 Ca 0.64 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.66 3mfh s LEU 322 Cb -0.31 -3.95 0.11 0.00 0.03 0.00 0.00 46.19 42.07 3mfh s LEU 322 CO 0.81 -0.25 1.15 -2.16 0.23 0.00 0.00 176.35 176.14 3mfh s PRO 323 N -2.01 1.54 0.38 1.29 0.04 -1.26 -4.90 135.00 130.08 3mfh s PRO 323 Ca 0.51 0.23 0.20 0.00 0.04 0.00 0.00 61.00 61.99 3mfh s PRO 323 Cb -0.24 -1.89 0.53 0.00 0.04 0.00 0.00 34.50 32.94 3mfh s PRO 323 CO 0.30 -1.92 1.66 1.12 0.04 0.00 0.00 177.00 178.21 3mfh h HIS 324 N -1.29 0.00 -3.84 0.56 2.07 -2.00 -3.40 115.15 107.25 3mfh h HIS 324 Ca -0.48 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 56.75 3mfh h HIS 324 Cb 1.33 0.00 -0.19 0.00 2.57 0.00 0.00 27.41 31.12 3mfh h HIS 324 CO 0.31 0.32 -0.73 -1.83 -3.07 0.00 0.00 177.93 172.93 3mfh s GLU 325 N -3.34 0.74 -1.47 5.12 -1.05 -1.26 -4.83 118.70 112.61 3mfh s GLU 325 Ca 0.02 -1.05 -0.03 0.00 -0.15 0.00 0.00 54.97 53.76 3mfh s GLU 325 Cb 0.09 -0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.38 3mfh s GLU 325 CO 0.68 0.06 0.46 0.09 0.95 0.00 0.00 175.26 177.50 3mfh n ASN 326 N 0.78 -5.73 0.06 0.83 5.03 -1.26 -4.91 115.26 110.06 3mfh n ASN 326 Ca -0.18 -0.22 0.02 0.00 0.87 0.00 0.00 54.58 55.07 3mfh n ASN 326 Cb 0.57 -4.59 0.38 0.00 -1.02 0.00 0.00 39.78 35.12 3mfh n ASN 326 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3mfh h SER 327 N -1.06 0.35 0.35 6.41 4.64 -1.86 -1.79 113.55 120.59 3mfh h SER 327 Ca -0.48 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 60.77 3mfh h SER 327 Cb 1.34 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3mfh h SER 327 CO 0.53 0.42 -0.17 0.40 -0.87 0.00 0.00 176.83 177.13 3mfh h ILE 328 N 0.37 0.65 -0.94 0.95 2.04 -1.90 -1.53 117.51 117.16 3mfh h ILE 328 Ca 0.09 -0.42 0.11 0.00 1.00 0.00 0.00 64.86 65.64 3mfh h ILE 328 Cb 0.25 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 3mfh h ILE 328 CO 0.01 0.08 0.60 0.50 0.00 0.00 0.00 178.15 179.34 3mfh h LYS 329 N -0.71 0.88 -0.36 2.37 3.64 -1.86 -2.10 116.57 118.44 3mfh h LYS 329 Ca -0.05 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3mfh h LYS 329 Cb 0.49 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3mfh h LYS 329 CO 0.08 0.58 0.18 1.25 -2.27 0.00 0.00 179.45 179.28 3mfh h HIS 330 N 0.91 0.34 -0.56 1.91 2.76 -1.10 0.45 115.15 119.86 3mfh h HIS 330 Ca 0.45 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.64 3mfh h HIS 330 Cb 0.48 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.30 3mfh h HIS 330 CO -0.00 0.19 0.37 0.82 -1.30 0.00 0.00 177.93 178.00 3mfh h ILE 331 N 0.38 1.13 -0.29 6.26 2.04 -0.77 -0.58 117.51 125.68 3mfh h ILE 331 Ca 0.15 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3mfh h ILE 331 Cb 0.05 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3mfh h ILE 331 CO -0.10 0.14 0.12 -0.09 0.00 0.00 0.00 178.15 178.22 3mfh h ARG 332 N 0.75 0.43 0.00 2.37 2.43 -0.88 -2.92 114.38 116.55 3mfh h ARG 332 Ca 0.21 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.16 3mfh h ARG 332 Cb -0.07 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3mfh h ARG 332 CO -0.05 0.43 -0.85 0.93 -1.51 0.00 0.00 179.97 178.92 3mfh h GLU 333 N 0.33 0.00 0.00 0.20 5.08 -0.81 -3.15 114.58 116.23 3mfh h GLU 333 Ca 0.10 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 3mfh h GLU 333 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3mfh h GLU 333 CO -0.01 0.56 -0.79 1.15 -1.00 0.00 0.00 179.01 178.92 3mfh h THR 334 N 0.00 1.55 -2.49 1.13 2.02 -1.12 -3.33 112.91 110.66 3mfh h THR 334 Ca -0.05 -2.72 -0.60 0.00 0.77 0.00 0.00 66.41 63.81 3mfh h THR 334 Cb 1.54 2.47 -0.41 0.00 -1.74 0.00 0.00 68.15 70.01 3mfh h THR 334 CO 0.08 0.77 -0.77 0.79 0.37 0.00 0.00 175.52 176.76 3mfh n TRP 335 N -3.58 1.73 0.27 3.16 8.01 -1.11 -4.99 117.44 120.93 3mfh n TRP 335 Ca -0.01 -3.90 0.12 0.00 -1.31 0.00 0.00 57.50 52.40 3mfh n TRP 335 Cb 0.77 -0.35 0.17 0.00 -2.01 0.00 0.00 31.31 29.89 3mfh n TRP 335 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3mfh h PRO 336 N 4.88 0.00 0.00 -0.99 0.13 -1.67 -3.40 132.00 130.96 3mfh h PRO 336 Ca 0.18 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.86 3mfh h PRO 336 Cb 0.79 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.85 3mfh h PRO 336 CO 0.62 0.00 -2.49 -0.25 -0.23 0.00 0.00 178.00 175.66 3mfh n ASP 337 N -2.87 1.96 -3.56 1.44 10.43 -1.26 -5.00 116.55 117.68 3mfh n ASP 337 Ca 0.03 0.27 -0.11 0.00 2.57 0.00 0.00 54.79 57.56 3mfh n ASP 337 Cb 0.52 -0.77 -0.04 0.00 1.84 0.00 0.00 41.12 42.67 3mfh n ASP 337 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3mfh s ASN 338 N -7.33 -0.34 0.50 -2.24 2.20 -1.26 -5.05 114.94 101.41 3mfh s ASN 338 Ca -0.38 -0.22 0.17 0.00 -0.94 0.00 0.00 52.86 51.50 3mfh s ASN 338 Cb 0.14 0.52 1.23 0.00 -2.00 0.00 0.00 41.25 41.13 3mfh s ASN 338 CO 0.51 -0.89 2.09 0.00 -2.94 0.00 0.00 177.10 175.87 3mfh h ALA 339 N 2.24 1.78 -0.40 3.54 0.00 -1.88 -2.40 119.26 122.15 3mfh h ALA 339 Ca -0.34 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.61 3mfh h ALA 339 Cb 1.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3mfh h ALA 339 CO 0.44 0.10 0.31 0.78 0.00 0.00 0.00 179.25 180.88 3mfh h GLY 340 N 0.28 0.00 0.82 0.00 0.00 -1.95 0.76 103.07 102.98 3mfh h GLY 340 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3mfh h GLY 340 CO 0.01 0.00 -0.01 1.46 0.00 0.00 0.00 176.54 178.00 3mfh h GLN 341 N 0.00 0.38 -0.59 4.80 4.20 -1.82 -1.77 115.11 120.31 3mfh h GLN 341 Ca 0.19 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 3mfh h GLN 341 Cb 0.81 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 3mfh h GLN 341 CO -0.00 0.58 -0.00 1.25 -0.67 0.00 0.00 178.83 179.99 3mfh h LEU 342 N 0.13 1.01 -0.93 1.46 5.85 -1.40 -2.85 115.31 118.58 3mfh h LEU 342 Ca 0.06 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.53 3mfh h LEU 342 Cb 0.42 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3mfh h LEU 342 CO 0.01 1.06 0.60 0.50 -0.34 0.00 0.00 178.44 180.28 3mfh h LYS 343 N 0.94 1.12 -0.59 1.25 3.64 -0.81 -0.35 116.57 121.78 3mfh h LYS 343 Ca 0.17 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3mfh h LYS 343 Cb 0.55 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3mfh h LYS 343 CO 0.03 0.74 0.16 1.49 -2.27 0.00 0.00 179.45 179.60 3mfh h GLU 344 N 1.16 0.93 -0.51 1.90 4.81 -1.25 0.31 114.58 121.93 3mfh h GLU 344 Ca 0.37 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3mfh h GLU 344 Cb 0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3mfh h GLU 344 CO -0.13 0.85 0.08 0.35 -0.73 0.00 0.00 179.01 179.43 3mfh h PHE 345 N 0.85 0.91 -0.31 0.92 3.57 -1.18 -2.58 116.94 119.13 3mfh h PHE 345 Ca 0.19 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3mfh h PHE 345 Cb 0.33 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3mfh h PHE 345 CO 0.02 0.82 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.77 3mfh h LEU 346 N 0.73 0.62 -1.75 0.59 3.38 -0.64 -2.70 115.31 115.55 3mfh h LEU 346 Ca 0.16 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3mfh h LEU 346 Cb 0.41 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3mfh h LEU 346 CO 0.01 0.85 0.19 0.44 0.09 0.00 0.00 178.44 180.02 3mfh h ASP 347 N 0.38 0.29 0.15 -0.43 3.32 -0.31 -1.87 116.42 117.96 3mfh h ASP 347 Ca 0.08 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3mfh h ASP 347 Cb 0.59 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3mfh h ASP 347 CO 0.03 0.21 -0.07 0.00 -1.72 0.00 0.00 179.24 177.69 3mfh h ALA 348 N 1.83 -0.21 -0.95 3.45 0.00 -1.34 -1.41 119.26 120.64 3mfh h ALA 348 Ca 0.11 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3mfh h ALA 348 Cb 0.02 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 3mfh h ALA 348 CO -0.02 -0.36 0.62 0.87 0.00 0.00 0.00 179.25 180.36 3mfh h LYS 349 N -0.73 1.15 0.00 0.00 1.79 -1.19 -2.94 116.57 114.65 3mfh h LYS 349 Ca -0.02 -0.07 -0.23 0.00 -2.18 0.00 0.00 60.65 58.15 3mfh h LYS 349 Cb 0.51 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 3mfh h LYS 349 CO 0.03 0.76 -1.15 0.28 -1.08 0.00 0.00 179.45 178.30 3mfh h VAL 350 N 1.18 1.54 0.00 0.50 2.07 -1.41 -3.20 116.25 116.94 3mfh h VAL 350 Ca 0.38 -3.28 0.00 0.00 0.82 0.00 0.00 66.70 64.62 3mfh h VAL 350 Cb 0.03 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3mfh h VAL 350 CO -0.12 0.88 0.00 0.29 0.02 0.00 0.00 177.57 178.64 3mfh n LYS 351 N -3.29 0.07 -1.75 1.57 4.01 -0.53 -4.80 118.16 113.43 3mfh n LYS 351 Ca -0.04 0.29 -0.42 0.00 -0.51 0.00 0.00 58.31 57.63 3mfh n LYS 351 Cb 0.96 -1.62 -0.03 0.00 -0.51 0.00 0.00 35.03 33.84 3mfh n LYS 351 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3mfh s GLN 352 N -3.10 4.13 0.54 1.97 -0.21 -1.19 -4.91 119.66 116.88 3mfh s GLN 352 Ca 0.07 2.59 0.21 0.00 0.02 0.00 0.00 55.36 58.24 3mfh s GLN 352 Cb 0.10 -3.06 1.45 0.00 1.00 0.00 0.00 33.01 32.50 3mfh s GLN 352 CO 0.33 -0.71 2.17 0.66 -2.12 0.00 0.00 175.29 175.62 3mfh h SER 353 N 6.17 0.00 -0.31 5.90 4.64 -1.91 -1.54 113.55 126.50 3mfh h SER 353 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3mfh h SER 353 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3mfh h SER 353 CO 0.90 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.98 3mfh n ASP 354 N -4.27 2.11 0.00 4.97 5.68 -1.26 -4.57 116.55 119.22 3mfh n ASP 354 Ca -0.03 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 3mfh n ASP 354 Cb 0.10 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 3mfh n ASP 354 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mfh n TYR 355 N 0.40 0.00 0.00 2.11 -0.00 -0.58 -5.01 117.16 114.08 3mfh n TYR 355 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 3mfh n TYR 355 Cb 0.38 -0.46 0.00 0.00 -0.00 0.00 0.00 39.34 39.27 3mfh n TYR 355 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 3mfh n ASP 356 N -2.23 0.00 0.08 2.98 -0.08 -1.26 -5.00 116.55 111.04 3mfh n ASP 356 Ca 0.00 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.40 3mfh n ASP 356 Cb 0.00 0.00 0.46 0.00 2.34 0.00 0.00 41.12 43.92 3mfh n ASP 356 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3mfh n ARG 357 N 0.00 0.17 0.12 -0.67 -4.01 -1.26 -2.70 116.66 108.31 3mfh n ARG 357 Ca 0.00 0.24 0.12 0.00 -1.04 0.00 0.00 57.85 57.17 3mfh n ARG 357 Cb 0.00 -1.73 0.05 0.00 -3.04 0.00 0.00 32.46 27.73 3mfh n ARG 357 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 3mfh h SER 358 N 0.00 0.00 -0.34 2.89 4.64 -1.98 -3.35 113.55 115.41 3mfh h SER 358 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3mfh h SER 358 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3mfh h SER 358 CO 0.00 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.32 3mfh n THR 359 N -2.69 1.09 -4.09 2.95 -2.24 -1.14 -5.01 114.28 103.16 3mfh n THR 359 Ca 0.01 -1.06 -0.31 0.00 -2.27 0.00 0.00 64.05 60.42 3mfh n THR 359 Cb 0.53 0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 3mfh n THR 359 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3mfh s SER 360 N -1.06 5.53 0.00 3.42 0.15 -1.10 -5.01 113.70 115.63 3mfh s SER 360 Ca 0.24 0.04 0.23 0.00 0.70 0.00 0.00 55.95 57.16 3mfh s SER 360 Cb 0.14 -1.51 0.55 0.00 -1.71 0.00 0.00 66.02 63.48 3mfh s SER 360 CO 0.15 0.21 1.48 0.59 1.20 0.00 0.00 173.24 176.87 3mfh n ASN 361 N 0.76 3.65 -4.70 5.45 4.13 -1.26 -4.88 115.26 118.41 3mfh n ASN 361 Ca -0.10 -1.99 -0.38 0.00 1.68 0.00 0.00 54.58 53.78 3mfh n ASN 361 Cb 0.52 -0.38 -0.07 0.00 -1.54 0.00 0.00 39.78 38.32 3mfh n ASN 361 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3mfh s ILE 362 N -1.25 5.19 -0.40 2.41 1.01 -1.26 -5.02 121.20 121.89 3mfh s ILE 362 Ca 0.44 0.83 -0.26 0.00 0.00 0.00 0.00 60.65 61.67 3mfh s ILE 362 Cb 0.24 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.96 3mfh s ILE 362 CO 0.32 0.29 0.92 -0.62 0.00 0.00 0.00 174.94 175.85 3mfh s ASP 363 N 0.80 6.61 0.54 3.58 -1.08 -1.26 -4.94 116.67 120.92 3mfh s ASP 363 Ca 0.23 0.41 0.36 0.00 -0.52 0.00 0.00 52.55 53.02 3mfh s ASP 363 Cb -0.15 -2.46 1.70 0.00 -1.46 0.00 0.00 42.92 40.56 3mfh s ASP 363 CO 0.09 -0.92 2.07 -0.65 0.52 0.00 0.00 175.17 176.28 3mfh h PRO 364 N 8.68 0.00 -0.00 4.34 0.11 -1.97 -0.72 132.00 142.44 3mfh h PRO 364 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3mfh h PRO 364 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3mfh h PRO 364 CO 0.99 0.00 -0.37 1.28 -0.21 0.00 0.00 178.00 179.70 3mfh n LEU 365 N -2.91 0.43 -1.40 2.35 4.77 -1.26 -4.14 117.00 114.84 3mfh n LEU 365 Ca -0.01 0.09 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 3mfh n LEU 365 Cb 0.18 -0.29 0.11 0.00 -2.33 0.00 0.00 43.42 41.09 3mfh n LEU 365 CO 0.22 0.10 0.24 0.29 -1.33 0.00 0.00 177.39 176.91 3mfh n LYS 366 N -1.43 2.27 0.21 3.23 4.76 -0.28 -4.80 118.16 122.12 3mfh n LYS 366 Ca 0.07 -3.55 0.08 0.00 -2.87 0.00 0.00 58.31 52.03 3mfh n LYS 366 Cb 0.33 -1.74 0.38 0.00 -1.84 0.00 0.00 35.03 32.16 3mfh n LYS 366 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3mfh h THR 367 N 2.31 0.66 -0.39 -0.18 1.35 -1.71 -2.65 112.91 112.31 3mfh h THR 367 Ca 0.12 -1.33 -0.01 0.00 -0.55 0.00 0.00 66.41 64.64 3mfh h THR 367 Cb 1.31 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 69.59 3mfh h THR 367 CO 0.32 0.28 0.20 0.00 -0.25 0.00 0.00 175.52 176.08 3mfh h ALA 368 N 1.71 0.50 -0.63 6.62 0.00 -1.93 -1.18 119.26 124.36 3mfh h ALA 368 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3mfh h ALA 368 Cb 0.85 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3mfh h ALA 368 CO 0.04 0.04 0.03 -0.44 0.00 0.00 0.00 179.25 178.92 3mfh h ASP 369 N 0.49 1.06 -0.40 0.00 3.32 -1.90 -1.91 116.42 117.09 3mfh h ASP 369 Ca 0.14 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 3mfh h ASP 369 Cb 0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3mfh h ASP 369 CO -0.02 1.09 -0.18 0.25 -1.72 0.00 0.00 179.24 178.65 3mfh h LEU 370 N 1.00 0.85 -0.46 1.55 5.85 -1.34 -0.90 115.31 121.86 3mfh h LEU 370 Ca 0.18 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 3mfh h LEU 370 Cb 0.53 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3mfh h LEU 370 CO 0.03 1.06 0.17 0.00 -0.34 0.00 0.00 178.44 179.36 3mfh h ALA 371 N 0.82 0.60 -0.64 1.25 0.00 -1.11 -0.93 119.26 119.25 3mfh h ALA 371 Ca 0.09 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3mfh h ALA 371 Cb 0.74 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3mfh h ALA 371 CO 0.06 0.22 0.13 1.49 0.00 0.00 0.00 179.25 181.15 3mfh h GLU 372 N 0.61 1.05 -0.38 0.00 4.81 -1.26 0.36 114.58 119.76 3mfh h GLU 372 Ca 0.15 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3mfh h GLU 372 Cb 0.22 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3mfh h GLU 372 CO -0.01 0.96 0.19 -0.22 -0.73 0.00 0.00 179.01 179.20 3mfh h LYS 373 N 0.97 0.54 -0.12 1.92 3.64 -0.77 -1.03 116.57 121.71 3mfh h LYS 373 Ca 0.20 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 59.29 3mfh h LYS 373 Cb 0.40 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3mfh h LYS 373 CO 0.01 0.46 -0.80 -0.07 -2.27 0.00 0.00 179.45 176.78 3mfh h LEU 374 N 0.48 0.83 -0.29 5.20 3.38 -0.97 0.34 115.31 124.28 3mfh h LEU 374 Ca 0.13 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.57 3mfh h LEU 374 Cb 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3mfh h LEU 374 CO -0.02 1.35 0.10 0.15 0.09 0.00 0.00 178.44 180.11 3mfh h PHE 375 N 0.46 0.19 0.00 1.13 3.57 -0.85 -1.89 116.94 119.55 3mfh h PHE 375 Ca -0.06 0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.21 3mfh h PHE 375 Cb 1.42 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 40.13 3mfh h PHE 375 CO 0.08 0.09 -1.01 0.87 -2.23 0.00 0.00 178.31 176.10 3mfh h LYS 376 N 0.23 0.58 -0.83 1.11 1.57 -1.14 -3.23 116.57 114.87 3mfh h LYS 376 Ca 0.13 -0.63 0.03 0.00 -1.87 0.00 0.00 60.65 58.31 3mfh h LYS 376 Cb 0.09 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 3mfh h LYS 376 CO -0.13 1.24 0.53 -0.07 -0.57 0.00 0.00 179.45 180.45 3mfh h LEU 377 N 0.32 0.87 -0.81 2.94 3.38 -0.86 -0.47 115.31 120.68 3mfh h LEU 377 Ca -0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3mfh h LEU 377 Cb 1.66 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3mfh h LEU 377 CO 0.19 0.60 0.00 -1.54 0.09 0.00 0.00 178.44 177.78 3mfh n SER 378 N -4.58 0.55 -0.39 -0.43 3.41 -0.72 -1.55 113.62 109.92 3mfh n SER 378 Ca 0.10 0.67 0.05 0.00 -0.26 0.00 0.00 58.87 59.44 3mfh n SER 378 Cb 0.09 -0.78 0.03 0.00 -0.26 0.00 0.00 64.21 63.30 3mfh n SER 378 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mfh n ARG 379 N -2.15 0.92 -1.64 4.33 1.74 -0.78 -4.81 116.66 114.28 3mfh n ARG 379 Ca 0.01 -1.02 -0.06 0.00 -0.77 0.00 0.00 57.85 56.01 3mfh n ARG 379 Cb 0.16 -1.18 -0.01 0.00 -1.02 0.00 0.00 32.46 30.40 3mfh n ARG 379 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mfh n GLY 380 N 0.69 0.48 0.33 -0.13 0.00 -0.47 -4.73 105.19 101.37 3mfh n GLY 380 Ca 0.06 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.43 3mfh n GLY 380 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfh n ARG 381 N -2.20 1.08 -3.06 1.61 5.12 -0.31 -4.76 116.66 114.14 3mfh n ARG 381 Ca -0.06 -2.46 -0.44 0.00 -1.93 0.00 0.00 57.85 52.96 3mfh n ARG 381 Cb 0.37 -1.29 -0.05 0.00 -1.16 0.00 0.00 32.46 30.33 3mfh n ARG 381 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3mfh s TYR 382 N -2.35 2.96 -0.38 -1.55 5.04 -1.20 -4.86 117.35 115.00 3mfh s TYR 382 Ca 0.28 -0.49 -0.17 0.00 -2.44 0.00 0.00 57.07 54.26 3mfh s TYR 382 Cb 0.26 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.80 3mfh s TYR 382 CO -0.01 -1.18 0.42 0.20 -1.34 0.00 0.00 175.55 173.63 3mfh s GLY 383 N 2.93 1.89 -0.02 8.97 0.00 -1.26 -4.55 107.32 115.28 3mfh s GLY 383 Ca 0.18 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.56 3mfh s GLY 383 CO 0.12 1.11 0.12 1.08 0.00 0.00 0.00 173.10 175.53 3mfh s LEU 384 N 2.12 4.08 0.62 0.66 1.43 -1.26 -4.92 118.68 121.42 3mfh s LEU 384 Ca 0.13 0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 53.31 3mfh s LEU 384 Cb -0.17 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 3mfh s LEU 384 CO 0.13 0.28 1.07 -2.16 0.23 0.00 0.00 176.35 175.90 3mfh s PRO 385 N -1.73 3.13 0.23 1.29 0.04 -1.26 -4.73 135.00 131.97 3mfh s PRO 385 Ca 0.23 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 3mfh s PRO 385 Cb -0.12 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3mfh s PRO 385 CO 0.14 -0.96 0.91 -0.51 0.04 0.00 0.00 177.00 176.63 3mfh s LEU 386 N -4.70 4.64 -0.15 -3.56 1.02 -1.26 -5.08 118.68 109.59 3mfh s LEU 386 Ca 0.64 1.90 -0.03 0.00 0.02 0.00 0.00 54.13 56.66 3mfh s LEU 386 Cb -0.17 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.46 3mfh s LEU 386 CO 0.40 0.16 -0.06 -0.94 0.02 0.00 0.00 176.35 175.93 3mfh s SER 387 N -1.15 4.63 -0.10 2.29 1.04 -1.26 -5.02 113.70 114.13 3mfh s SER 387 Ca 0.40 -0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.37 3mfh s SER 387 Cb -0.25 -1.73 -0.01 0.00 0.10 0.00 0.00 66.02 64.12 3mfh s SER 387 CO 0.31 0.17 1.01 -0.55 0.98 0.00 0.00 173.24 175.16 3mfh s SER 388 N 0.33 7.25 0.36 7.02 0.15 -1.26 -4.28 113.70 123.26 3mfh s SER 388 Ca -0.05 1.54 -0.04 0.00 0.70 0.00 0.00 55.95 58.10 3mfh s SER 388 Cb -0.14 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 3mfh s SER 388 CO 0.04 -0.44 0.62 -0.13 1.20 0.00 0.00 173.24 174.53 3mfh s ARG 389 N 1.97 3.59 1.13 5.44 0.52 -1.26 -5.08 118.95 125.26 3mfh s ARG 389 Ca 0.49 -0.00 -0.15 0.00 -0.52 0.00 0.00 55.73 55.54 3mfh s ARG 389 Cb -0.18 -2.57 0.25 0.00 0.52 0.00 0.00 34.95 32.97 3mfh s ARG 389 CO 0.18 0.08 1.07 -1.25 0.02 0.00 0.00 175.30 175.40 3mfh s PRO 390 N -4.05 -0.66 0.28 3.54 0.04 -1.26 -4.91 135.00 127.98 3mfh s PRO 390 Ca 0.44 0.36 0.02 0.00 0.04 0.00 0.00 61.00 61.86 3mfh s PRO 390 Cb -0.10 -1.62 0.58 0.00 0.04 0.00 0.00 34.50 33.40 3mfh s PRO 390 CO 0.35 -3.43 1.82 0.28 0.04 0.00 0.00 177.00 176.06 3mfh h VAL 391 N -2.39 0.88 -2.21 -0.36 2.07 -2.03 -3.43 116.25 108.78 3mfh h VAL 391 Ca -0.53 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 3mfh h VAL 391 Cb 1.33 -0.15 -0.19 0.00 -1.52 0.00 0.00 31.29 30.75 3mfh h VAL 391 CO 0.48 0.17 0.09 0.54 0.02 0.00 0.00 177.57 178.87 3mfh s VAL 392 N -5.94 0.01 -0.04 2.57 0.11 -1.26 -5.08 120.40 110.77 3mfh s VAL 392 Ca -0.12 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 3mfh s VAL 392 Cb 0.23 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 3mfh s VAL 392 CO 0.81 -0.05 -0.05 1.17 -3.33 0.00 0.00 175.10 173.65 3mfh n LYS 393 N 1.11 0.10 -3.83 1.54 3.00 -1.26 -4.90 118.16 113.91 3mfh n LYS 393 Ca -0.19 0.03 -0.10 0.00 -0.00 0.00 0.00 58.31 58.05 3mfh n LYS 393 Cb 0.57 -0.86 -0.08 0.00 0.00 0.00 0.00 35.03 34.65 3mfh n LYS 393 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3mfh s SER 394 N -4.92 0.01 -0.04 3.14 1.04 -1.26 -4.19 113.70 107.49 3mfh s SER 394 Ca -0.06 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.01 3mfh s SER 394 Cb 0.02 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.47 3mfh s SER 394 CO 0.09 -0.60 -0.06 -0.04 0.98 0.00 0.00 173.24 173.61 3mfh s MET 395 N -2.78 0.85 -0.01 4.02 -1.94 -0.67 -4.99 119.30 113.77 3mfh s MET 395 Ca -0.03 -0.16 0.08 0.00 -1.71 0.00 0.00 55.69 53.86 3mfh s MET 395 Cb -0.00 -0.83 -0.02 0.00 2.01 0.00 0.00 34.83 35.99 3mfh s MET 395 CO -0.05 -0.02 -0.25 1.41 -0.01 0.00 0.00 175.02 176.10 3mfh s MET 396 N 0.66 1.98 -0.17 2.03 0.00 -1.26 -0.19 119.30 122.35 3mfh s MET 396 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 55.69 54.69 3mfh s MET 396 Cb -0.12 -1.94 0.03 0.00 0.00 0.00 0.00 34.83 32.80 3mfh s MET 396 CO 0.00 0.53 -0.12 0.45 0.00 0.00 0.00 175.02 175.89 3mfh s SER 397 N -0.66 2.95 -0.05 1.11 0.15 0.18 -5.00 113.70 112.39 3mfh s SER 397 Ca 0.10 -0.65 0.03 0.00 0.70 0.00 0.00 55.95 56.13 3mfh s SER 397 Cb -0.10 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.05 3mfh s SER 397 CO -0.01 -0.10 -0.13 0.21 1.20 0.00 0.00 173.24 174.41 3mfh s ASN 398 N 1.47 1.77 -0.21 5.45 2.47 -1.26 -1.48 114.94 123.15 3mfh s ASN 398 Ca 0.02 -0.29 -0.02 0.00 0.42 0.00 0.00 52.86 53.00 3mfh s ASN 398 Cb -0.14 -0.61 0.06 0.00 -1.45 0.00 0.00 41.25 39.11 3mfh s ASN 398 CO -0.09 0.09 0.01 -0.75 -3.72 0.00 0.00 177.10 172.63 3mfh s LYS 399 N 0.30 0.98 0.10 0.43 2.47 0.25 -4.78 119.74 119.50 3mfh s LYS 399 Ca -0.08 -0.65 -0.31 0.00 -1.56 0.00 0.00 55.97 53.38 3mfh s LYS 399 Cb -0.12 -2.27 -0.07 0.00 -1.46 0.00 0.00 37.83 33.91 3mfh s LYS 399 CO 0.02 -0.65 1.26 -0.80 0.16 0.00 0.00 175.35 175.35 3mfh s ASN 400 N 1.69 6.99 -0.12 1.43 -0.87 -1.26 -1.11 114.94 121.69 3mfh s ASN 400 Ca -0.02 2.16 -0.01 0.00 -1.57 0.00 0.00 52.86 53.41 3mfh s ASN 400 Cb -0.18 -2.59 -0.03 0.00 -0.02 0.00 0.00 41.25 38.44 3mfh s ASN 400 CO -0.08 -0.52 -0.06 -0.76 -2.57 0.00 0.00 177.10 173.11 3mfh s LEU 401 N 0.87 3.14 0.05 0.60 1.43 -0.23 -4.93 118.68 119.61 3mfh s LEU 401 Ca 0.60 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 3mfh s LEU 401 Cb -0.33 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3mfh s LEU 401 CO 0.31 0.25 -0.00 -0.13 0.23 0.00 0.00 176.35 177.00 3mfh s ARG 402 N -0.11 2.66 7.76 1.70 1.81 -1.26 -4.53 118.95 126.98 3mfh s ARG 402 Ca 0.01 -0.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 3mfh s ARG 402 Cb -0.13 -2.60 0.00 0.00 -0.45 0.00 0.00 34.95 31.77 3mfh s ARG 402 CO 0.03 0.58 0.00 0.41 -0.68 0.00 0.00 175.30 175.64 3mfh n GLY 403 N 0.96 3.34 0.47 -3.53 0.00 -1.26 -2.68 105.19 102.49 3mfh n GLY 403 Ca -0.12 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.84 3mfh n GLY 403 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mfh n LYS 404 N 13.46 1.67 0.00 1.61 4.01 -1.26 -4.76 118.16 132.89 3mfh n LYS 404 Ca 0.00 -2.90 0.05 0.00 -0.51 0.00 0.00 58.31 54.95 3mfh n LYS 404 Cb 0.00 -1.62 0.22 0.00 -0.51 0.00 0.00 35.03 33.12 3mfh n LYS 404 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3mfh n SER 405 N -1.18 0.00 -3.39 4.39 3.41 -1.09 -3.29 113.62 112.47 3mfh n SER 405 Ca 0.20 0.34 -0.27 0.00 -0.26 0.00 0.00 58.87 58.88 3mfh n SER 405 Cb 0.74 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 64.19 3mfh n SER 405 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mfh n ASN 407 N 2.69 3.05 -3.57 0.00 5.15 -1.21 -1.10 115.26 120.28 3mfh n ASN 407 Ca 0.29 -1.97 -0.02 0.00 -0.60 0.00 0.00 54.58 52.28 3mfh n ASN 407 Cb 0.48 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 3mfh n ASN 407 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3mfh s SER 408 N -1.01 -0.06 0.40 1.20 1.04 -1.26 -4.84 113.70 109.17 3mfh s SER 408 Ca 0.27 -0.47 0.09 0.00 0.48 0.00 0.00 55.95 56.32 3mfh s SER 408 Cb 0.14 0.42 0.83 0.00 0.10 0.00 0.00 66.02 67.52 3mfh s SER 408 CO 0.19 -0.81 1.97 -0.29 0.98 0.00 0.00 173.24 175.28 3mfh h ILE 409 N 2.00 1.14 -0.49 -1.02 6.09 -1.98 -2.17 117.51 121.09 3mfh h ILE 409 Ca -0.26 -0.57 0.01 0.00 -1.37 0.00 0.00 64.86 62.66 3mfh h ILE 409 Cb 1.22 1.01 -0.03 0.00 0.47 0.00 0.00 36.82 39.49 3mfh h ILE 409 CO 0.31 0.19 0.32 0.58 -3.07 0.00 0.00 178.15 176.48 3mfh h VAL 410 N 0.30 1.12 -0.46 2.19 2.07 -2.00 -1.87 116.25 117.60 3mfh h VAL 410 Ca 0.07 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 3mfh h VAL 410 Cb 0.24 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3mfh h VAL 410 CO 0.01 0.12 -0.15 0.44 0.02 0.00 0.00 177.57 178.01 3mfh h ASP 411 N 0.65 0.87 -0.41 0.57 3.32 -1.77 -2.39 116.42 117.27 3mfh h ASP 411 Ca 0.18 -0.29 0.07 0.00 0.02 0.00 0.00 57.03 57.01 3mfh h ASP 411 Cb -0.06 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.18 3mfh h ASP 411 CO -0.04 1.02 0.01 0.00 -1.72 0.00 0.00 179.24 178.50 3mfh h ILE 413 N 0.12 1.30 -0.73 0.00 2.04 -1.25 -0.07 117.51 118.92 3mfh h ILE 413 Ca 0.20 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.53 3mfh h ILE 413 Cb 0.28 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3mfh h ILE 413 CO -0.33 0.48 0.48 -1.28 0.00 0.00 0.00 178.15 177.50 3mfh h SER 414 N 0.41 0.81 -0.13 1.72 0.87 -0.99 -0.66 113.55 115.58 3mfh h SER 414 Ca 0.04 -0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.39 3mfh h SER 414 Cb 0.87 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 3mfh h SER 414 CO 0.07 0.58 -0.63 -0.50 -0.53 0.00 0.00 176.83 175.82 3mfh h TRP 415 N 0.96 0.96 -0.83 2.24 4.06 -0.79 -3.03 115.95 119.53 3mfh h TRP 415 Ca 0.27 -0.37 0.10 0.00 2.06 0.00 0.00 58.89 60.96 3mfh h TRP 415 Cb -0.07 -0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 27.86 3mfh h TRP 415 CO -0.03 1.18 0.54 -0.07 -3.56 0.00 0.00 178.44 176.50 3mfh h LEU 416 N 0.55 0.68 -1.24 -4.49 3.38 -0.56 -1.10 115.31 112.54 3mfh h LEU 416 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3mfh h LEU 416 Cb 1.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3mfh h LEU 416 CO 0.13 0.40 -0.02 -0.33 0.09 0.00 0.00 178.44 178.71 3mfh h GLU 417 N 0.75 0.50 -0.03 1.13 5.08 -1.01 0.16 114.58 121.17 3mfh h GLU 417 Ca 0.39 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3mfh h GLU 417 Cb 0.48 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3mfh h GLU 417 CO -0.16 0.54 -0.01 0.28 -1.00 0.00 0.00 179.01 178.67 3mfh h VAL 418 N 0.48 1.30 -0.72 3.13 2.07 -1.20 -2.30 116.25 119.00 3mfh h VAL 418 Ca 0.10 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 66.80 3mfh h VAL 418 Cb 0.34 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 3mfh h VAL 418 CO 0.01 0.24 0.40 -0.26 0.02 0.00 0.00 177.57 177.98 3mfh h PHE 419 N -0.31 0.74 -0.52 1.57 0.04 -0.85 -0.80 116.94 116.80 3mfh h PHE 419 Ca 0.01 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 3mfh h PHE 419 Cb 0.39 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 3mfh h PHE 419 CO 0.05 0.33 -0.12 0.00 -0.60 0.00 0.00 178.31 177.98 3mfh h ALA 421 N 0.91 0.44 0.18 0.00 0.00 -0.96 -1.92 119.26 117.90 3mfh h ALA 421 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mfh h ALA 421 Cb 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3mfh h ALA 421 CO 0.05 -0.01 -0.09 1.49 0.00 0.00 0.00 179.25 180.70 3mfh h GLU 422 N 0.42 -0.23 -0.86 0.00 4.81 -0.74 -1.68 114.58 116.30 3mfh h GLU 422 Ca 0.12 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3mfh h GLU 422 Cb 0.11 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3mfh h GLU 422 CO -0.02 -0.11 0.54 -0.07 -0.73 0.00 0.00 179.01 178.62 3mfh h LEU 423 N -0.29 1.02 -0.54 1.64 3.38 -0.99 -0.48 115.31 119.05 3mfh h LEU 423 Ca -0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3mfh h LEU 423 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3mfh h LEU 423 CO 0.04 0.77 0.04 0.74 0.09 0.00 0.00 178.44 180.12 3mfh h THR 424 N 1.18 1.26 -0.82 0.22 2.02 -1.21 0.00 112.91 115.56 3mfh h THR 424 Ca 0.31 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 3mfh h THR 424 Cb -0.08 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3mfh h THR 424 CO -0.06 0.37 0.35 -1.28 0.37 0.00 0.00 175.52 175.27 3mfh h SER 425 N 0.80 1.11 -0.63 4.18 0.87 -1.05 -0.66 113.55 118.17 3mfh h SER 425 Ca 0.16 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3mfh h SER 425 Cb 0.47 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3mfh h SER 425 CO 0.02 0.97 0.17 0.03 -0.53 0.00 0.00 176.83 177.48 3mfh h ARG 426 N 1.19 1.00 -0.40 2.24 3.08 -0.50 -2.03 114.38 118.95 3mfh h ARG 426 Ca 0.28 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3mfh h ARG 426 Cb 0.18 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3mfh h ARG 426 CO -0.03 0.90 0.10 0.82 -1.07 0.00 0.00 179.97 180.70 3mfh h ILE 427 N 0.92 1.23 -0.71 2.04 2.04 -0.65 -2.27 117.51 120.11 3mfh h ILE 427 Ca 0.20 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.31 3mfh h ILE 427 Cb 0.34 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3mfh h ILE 427 CO -0.00 0.27 0.46 1.56 0.00 0.00 0.00 178.15 180.44 3mfh h GLN 428 N 0.51 0.90 -0.51 2.37 4.20 -0.99 -1.60 115.11 119.99 3mfh h GLN 428 Ca 0.13 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3mfh h GLN 428 Cb 0.30 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3mfh h GLN 428 CO 0.00 0.59 0.33 -0.44 -0.67 0.00 0.00 178.83 178.65 3mfh h ASP 429 N 0.92 0.59 -0.64 1.46 3.45 -1.15 -1.88 116.42 119.17 3mfh h ASP 429 Ca 0.27 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.69 3mfh h ASP 429 Cb -0.05 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.54 3mfh h ASP 429 CO -0.08 0.43 0.31 -0.07 -1.57 0.00 0.00 179.24 178.26 3mfh h LEU 430 N 0.69 0.83 -0.47 1.55 3.38 -1.13 -1.14 115.31 119.02 3mfh h LEU 430 Ca 0.19 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3mfh h LEU 430 Cb -0.07 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3mfh h LEU 430 CO -0.04 0.73 0.26 -0.33 0.09 0.00 0.00 178.44 179.15 3mfh h GLU 431 N 0.88 0.51 -0.30 1.13 5.08 -0.96 -1.41 114.58 119.52 3mfh h GLU 431 Ca 0.22 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 3mfh h GLU 431 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3mfh h GLU 431 CO -0.03 0.34 -0.25 0.37 -1.00 0.00 0.00 179.01 178.44 3mfh h GLN 432 N 0.53 0.70 -0.58 2.33 4.15 -1.29 -0.86 115.11 120.09 3mfh h GLN 432 Ca 0.19 -0.35 -0.10 0.00 0.77 0.00 0.00 58.65 59.16 3mfh h GLN 432 Cb 0.05 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3mfh h GLN 432 CO -0.10 0.96 -0.03 1.49 -1.93 0.00 0.00 178.83 179.22 3mfh h GLU 433 N 0.45 1.04 -0.14 1.69 4.81 -1.08 -3.29 114.58 118.05 3mfh h GLU 433 Ca 0.05 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3mfh h GLU 433 Cb 0.81 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3mfh h GLU 433 CO 0.06 1.04 0.00 0.66 -0.73 0.00 0.00 179.01 180.04 3mfh n TYR 434 N -4.20 0.17 -3.49 0.92 4.02 -0.54 -5.02 117.16 109.04 3mfh n TYR 434 Ca 0.02 -0.20 -0.21 0.00 -0.01 0.00 0.00 57.90 57.50 3mfh n TYR 434 Cb 0.36 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 39.72 3mfh n TYR 434 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3mfh n ASN 435 N 0.55 -4.73 -4.25 7.72 5.15 -0.36 -4.94 115.26 114.41 3mfh n ASN 435 Ca 0.08 -0.82 -0.14 0.00 -0.60 0.00 0.00 54.58 53.11 3mfh n ASN 435 Cb 0.33 -4.43 -0.10 0.00 -0.53 0.00 0.00 39.78 35.05 3mfh n ASN 435 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3mfh s LYS 436 N -5.27 1.11 -0.22 1.20 -0.14 -1.01 -3.05 119.74 112.37 3mfh s LYS 436 Ca 0.33 -1.52 -0.10 0.00 -1.36 0.00 0.00 55.97 53.32 3mfh s LYS 436 Cb -0.08 -0.40 -0.05 0.00 -1.68 0.00 0.00 37.83 35.62 3mfh s LYS 436 CO 0.79 -0.07 0.13 0.42 -0.76 0.00 0.00 175.35 175.86 3mfh s ILE 437 N -3.54 5.22 -0.19 2.17 1.01 -0.52 -4.55 121.20 120.80 3mfh s ILE 437 Ca 0.22 0.13 0.01 0.00 0.00 0.00 0.00 60.65 61.01 3mfh s ILE 437 Cb 0.05 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 39.15 3mfh s ILE 437 CO 0.03 0.40 -0.18 -0.69 0.00 0.00 0.00 174.94 174.50 3mfh s VAL 438 N 0.72 2.04 -0.26 2.92 1.01 -1.26 -0.59 120.40 124.98 3mfh s VAL 438 Ca 0.07 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3mfh s VAL 438 Cb -0.13 -1.91 0.07 0.00 0.00 0.00 0.00 36.38 34.41 3mfh s VAL 438 CO 0.01 0.43 -0.05 -0.63 0.00 0.00 0.00 175.10 174.86 3mfh s ILE 439 N 1.27 1.82 0.26 2.22 1.01 0.06 -4.99 121.20 122.86 3mfh s ILE 439 Ca 0.02 -1.53 -0.30 0.00 0.00 0.00 0.00 60.65 58.85 3mfh s ILE 439 Cb -0.14 -2.08 -0.11 0.00 0.01 0.00 0.00 42.46 40.14 3mfh s ILE 439 CO -0.11 -0.17 1.54 -2.84 0.00 0.00 0.00 174.94 173.36 3mfh s PRO 440 N 1.24 4.18 -0.05 2.79 0.02 -1.26 -0.53 135.00 141.40 3mfh s PRO 440 Ca -0.04 2.46 0.02 0.00 0.02 0.00 0.00 61.00 63.46 3mfh s PRO 440 Cb -0.19 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 3mfh s PRO 440 CO -0.07 -0.55 -0.01 -2.13 -0.33 0.00 0.00 177.00 173.90 3mfh n ARG 441 N 2.46 1.80 -4.19 5.54 3.00 -0.49 -4.77 116.66 120.01 3mfh n ARG 441 Ca 0.08 0.01 -0.16 0.00 -0.00 0.00 0.00 57.85 57.78 3mfh n ARG 441 Cb 0.38 -1.10 -0.15 0.00 0.00 0.00 0.00 32.46 31.60 3mfh n ARG 441 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3mfh s THR 442 N -2.10 0.46 0.00 5.15 2.01 -1.20 -1.12 115.64 118.85 3mfh s THR 442 Ca -0.04 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 61.77 3mfh s THR 442 Cb 0.01 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 3mfh s THR 442 CO 0.14 0.13 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.34 3mfh s VAL 443 N -0.10 1.37 -0.09 3.82 1.01 -0.46 -1.65 120.40 124.30 3mfh s VAL 443 Ca 0.02 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3mfh s VAL 443 Cb -0.03 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.20 3mfh s VAL 443 CO -0.00 0.30 -0.17 -0.55 0.00 0.00 0.00 175.10 174.68 3mfh s SER 444 N -0.64 2.36 -0.17 3.32 0.15 0.39 -1.54 113.70 117.57 3mfh s SER 444 Ca 0.06 -0.41 -0.08 0.00 0.70 0.00 0.00 55.95 56.22 3mfh s SER 444 Cb -0.07 -1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.12 3mfh s SER 444 CO 0.00 0.07 0.09 -0.63 1.20 0.00 0.00 173.24 173.97 3mfh s ILE 445 N 0.64 5.03 -0.02 6.45 -1.09 0.37 -1.15 121.20 131.42 3mfh s ILE 445 Ca -0.14 0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.35 3mfh s ILE 445 Cb -0.16 -3.25 -0.00 0.00 -1.58 0.00 0.00 42.46 37.47 3mfh s ILE 445 CO 0.04 0.50 -0.10 -0.55 -1.23 0.00 0.00 174.94 173.60 3mfh s SER 446 N 0.02 1.25 0.08 3.58 0.15 -0.65 -1.22 113.70 116.90 3mfh s SER 446 Ca 0.07 -0.19 -0.07 0.00 0.70 0.00 0.00 55.95 56.46 3mfh s SER 446 Cb -0.12 -0.28 -0.01 0.00 -1.71 0.00 0.00 66.02 63.90 3mfh s SER 446 CO 0.00 0.09 0.14 -1.48 1.20 0.00 0.00 173.24 173.19 3mfh s LEU 447 N 0.06 1.69 -0.03 3.45 0.05 -0.30 -1.06 118.68 122.54 3mfh s LEU 447 Ca -0.01 -0.75 0.05 0.00 0.05 0.00 0.00 54.13 53.48 3mfh s LEU 447 Cb -0.07 0.83 -0.01 0.00 -2.05 0.00 0.00 46.19 44.88 3mfh s LEU 447 CO 0.00 -0.70 -0.19 -0.54 -0.55 0.00 0.00 176.35 174.38 3mfh s LYS 448 N -3.88 1.65 1.02 1.48 1.02 -0.38 -1.39 119.74 119.27 3mfh s LYS 448 Ca 0.06 -0.66 -0.17 0.00 0.02 0.00 0.00 55.97 55.21 3mfh s LYS 448 Cb 0.06 -1.53 0.23 0.00 -0.52 0.00 0.00 37.83 36.07 3mfh s LYS 448 CO -0.11 0.35 1.32 0.95 -0.92 0.00 0.00 175.35 176.94 3mfh s THR 449 N -0.27 1.93 0.57 2.17 -4.23 -0.54 -0.61 115.64 114.67 3mfh s THR 449 Ca 0.03 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.82 3mfh s THR 449 Cb -0.09 -2.93 0.34 0.00 1.34 0.00 0.00 72.50 71.16 3mfh s THR 449 CO 0.00 0.00 2.23 0.07 -0.54 0.00 0.00 174.62 176.38 3mfh h LYS 450 N -1.88 0.00 -0.64 3.99 2.10 -0.93 -0.06 116.57 119.15 3mfh h LYS 450 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3mfh h LYS 450 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3mfh h LYS 450 CO 0.33 0.01 0.00 -1.13 -2.00 0.00 0.00 179.45 176.66 3mfh n SER 451 N -3.91 3.80 -0.32 7.07 3.41 -1.26 -4.94 113.62 117.47 3mfh n SER 451 Ca -0.03 -2.20 -0.04 0.00 -0.26 0.00 0.00 58.87 56.34 3mfh n SER 451 Cb 0.10 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 3mfh n SER 451 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mfh n TYR 452 N 1.15 0.00 -2.47 7.33 4.02 -0.04 -4.99 117.16 122.16 3mfh n TYR 452 Ca 0.22 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.69 3mfh n TYR 452 Cb 0.67 -1.46 -0.04 0.00 -0.02 0.00 0.00 39.34 38.49 3mfh n TYR 452 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3mfh s GLU 453 N -1.77 4.52 -0.01 -0.72 2.12 -1.26 -4.65 118.70 116.93 3mfh s GLU 453 Ca 0.00 1.75 -0.22 0.00 0.36 0.00 0.00 54.97 56.86 3mfh s GLU 453 Cb 0.00 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 3mfh s GLU 453 CO 0.00 -0.07 0.65 0.08 -0.54 0.00 0.00 175.26 175.38 3mfh s VAL 454 N 0.27 4.90 -0.06 3.70 1.01 -1.26 -1.46 120.40 127.49 3mfh s VAL 454 Ca 0.53 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.90 3mfh s VAL 454 Cb -0.30 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.10 3mfh s VAL 454 CO 0.33 0.37 -0.15 -0.31 0.00 0.00 0.00 175.10 175.34 3mfh s TYR 455 N 0.04 1.66 0.08 5.22 1.51 -0.49 -5.00 117.35 120.38 3mfh s TYR 455 Ca 0.34 -0.60 0.05 0.00 -1.01 0.00 0.00 57.07 55.85 3mfh s TYR 455 Cb -0.19 -1.17 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 3mfh s TYR 455 CO 0.18 -0.27 -0.13 1.03 -1.11 0.00 0.00 175.55 175.26 3mfh s ARG 456 N 0.47 0.84 -0.18 -0.62 0.52 -1.26 -1.15 118.95 117.58 3mfh s ARG 456 Ca -0.13 -1.04 -0.11 0.00 -0.52 0.00 0.00 55.73 53.93 3mfh s ARG 456 Cb -0.15 -0.73 0.06 0.00 0.52 0.00 0.00 34.95 34.65 3mfh s ARG 456 CO 0.04 0.15 0.44 0.21 0.02 0.00 0.00 175.30 176.16 3mfh s LYS 457 N -2.15 0.44 0.14 3.54 2.47 -0.36 -5.01 119.74 118.82 3mfh s LYS 457 Ca 0.01 0.80 0.06 0.00 -1.56 0.00 0.00 55.97 55.28 3mfh s LYS 457 Cb -0.07 0.04 -0.04 0.00 -1.46 0.00 0.00 37.83 36.29 3mfh s LYS 457 CO 0.02 -0.14 -0.13 -1.54 0.16 0.00 0.00 175.35 173.72 3mfh s SER 458 N 1.23 2.04 0.00 1.43 1.04 -1.26 -0.48 113.70 117.69 3mfh s SER 458 Ca -0.08 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.44 3mfh s SER 458 Cb -0.07 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3mfh s SER 458 CO -0.11 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.51 3mfh n GLY 459 N 0.15 -1.29 3.77 7.32 0.00 -0.59 -5.00 105.19 109.55 3mfh n GLY 459 Ca -0.13 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 3mfh n GLY 459 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mfh s PRO 460 N -1.74 3.09 -0.03 1.61 0.04 -1.26 -1.35 135.00 135.36 3mfh s PRO 460 Ca 0.00 1.56 0.06 0.00 0.04 0.00 0.00 61.00 62.67 3mfh s PRO 460 Cb 0.00 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 3mfh s PRO 460 CO 0.00 -1.05 -0.21 0.54 0.04 0.00 0.00 177.00 176.32 3mfh s VAL 461 N -1.95 2.46 0.60 -0.36 0.11 -0.27 -4.77 120.40 116.21 3mfh s VAL 461 Ca 0.71 -0.95 -0.12 0.00 -2.93 0.00 0.00 61.98 58.68 3mfh s VAL 461 Cb -0.24 -1.90 -0.05 0.00 -1.53 0.00 0.00 36.38 32.67 3mfh s VAL 461 CO 0.33 0.58 1.02 0.00 -3.33 0.00 0.00 175.10 173.70 3mfh s ALA 462 N -0.66 3.08 -0.09 1.54 0.00 -1.26 -4.60 121.76 119.77 3mfh s ALA 462 Ca 0.10 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.09 3mfh s ALA 462 Cb -0.10 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3mfh s ALA 462 CO -0.00 -0.59 -0.21 -0.47 0.00 0.00 0.00 175.76 174.48 3mfh s TYR 463 N -3.03 2.27 -0.01 0.00 5.04 -1.26 -4.85 117.35 115.51 3mfh s TYR 463 Ca 0.56 -0.90 0.21 0.00 -2.44 0.00 0.00 57.07 54.50 3mfh s TYR 463 Cb -0.11 -1.54 0.35 0.00 0.35 0.00 0.00 41.96 41.01 3mfh s TYR 463 CO 0.48 -0.37 1.14 1.63 -1.34 0.00 0.00 175.55 177.09 3mfh n LYS 464 N 3.56 0.06 0.00 4.97 4.01 -1.26 -5.14 118.16 124.37 3mfh n LYS 464 Ca -0.20 -1.86 0.00 0.00 -0.51 0.00 0.00 58.31 55.74 3mfh n LYS 464 Cb 0.53 -0.15 0.00 0.00 -0.51 0.00 0.00 35.03 34.89 3mfh n LYS 464 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mfh n GLY 465 N 0.34 -0.31 0.25 0.72 0.00 -1.26 -4.44 105.19 100.50 3mfh n GLY 465 Ca 0.05 -1.71 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 3mfh n GLY 465 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3mfh h ILE 466 N 0.00 1.22 0.00 -0.61 6.09 -1.99 -2.28 117.51 119.94 3mfh h ILE 466 Ca 0.00 -0.99 0.00 0.00 -1.37 0.00 0.00 64.86 62.50 3mfh h ILE 466 Cb 0.00 1.19 0.00 0.00 0.47 0.00 0.00 36.82 38.48 3mfh h ILE 466 CO 0.00 0.32 0.00 0.78 -3.07 0.00 0.00 178.15 176.18 3mfh h ASN 467 N 0.39 0.00 -0.13 2.19 2.35 -2.02 -2.62 115.58 115.74 3mfh h ASN 467 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3mfh h ASN 467 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3mfh h ASN 467 CO 0.03 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.30 3mfh n PHE 468 N -2.42 0.17 -0.12 1.19 3.72 -0.92 -4.81 117.46 114.26 3mfh n PHE 468 Ca 0.01 -0.37 -0.11 0.00 -0.05 0.00 0.00 57.45 56.93 3mfh n PHE 468 Cb 0.22 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 3mfh n PHE 468 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3mfh h GLN 469 N 1.03 0.63 -0.66 -1.08 5.75 -1.02 -1.64 115.11 118.12 3mfh h GLN 469 Ca 0.00 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.26 3mfh h GLN 469 Cb 0.51 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 3mfh h GLN 469 CO 0.00 0.78 0.34 1.03 -2.65 0.00 0.00 178.83 178.33 3mfh h SER 470 N 0.43 0.84 -0.27 -0.69 0.87 -1.85 -1.71 113.55 111.19 3mfh h SER 470 Ca 0.09 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3mfh h SER 470 Cb 0.52 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 3mfh h SER 470 CO 0.03 0.72 0.09 -0.74 -0.53 0.00 0.00 176.83 176.39 3mfh h HIS 471 N 0.91 0.15 -0.51 2.24 -0.00 -1.86 -1.23 115.15 114.85 3mfh h HIS 471 Ca 0.23 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.56 3mfh h HIS 471 Cb 0.08 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 3mfh h HIS 471 CO -0.00 0.07 0.10 0.93 -0.00 0.00 0.00 177.93 179.03 3mfh h GLU 472 N 0.20 0.80 -0.28 5.26 4.39 -0.96 -0.81 114.58 123.18 3mfh h GLU 472 Ca 0.12 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 3mfh h GLU 472 Cb 0.09 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3mfh h GLU 472 CO -0.13 0.73 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.29 3mfh h LEU 473 N 0.76 0.58 -0.70 1.33 3.38 -1.14 -3.18 115.31 116.34 3mfh h LEU 473 Ca 0.17 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3mfh h LEU 473 Cb 0.31 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3mfh h LEU 473 CO 0.00 0.84 0.26 0.25 0.09 0.00 0.00 178.44 179.88 3mfh h LEU 474 N 0.32 0.98 -0.49 1.67 5.85 -0.82 -1.08 115.31 121.75 3mfh h LEU 474 Ca 0.07 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.70 3mfh h LEU 474 Cb 0.60 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.30 3mfh h LEU 474 CO 0.03 0.90 0.02 0.11 -0.34 0.00 0.00 178.44 179.16 3mfh h LYS 475 N 1.00 0.13 -0.19 1.25 1.57 -1.20 0.10 116.57 119.24 3mfh h LYS 475 Ca 0.23 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.83 3mfh h LYS 475 Cb 0.24 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3mfh h LYS 475 CO -0.02 0.09 -0.55 0.28 -0.57 0.00 0.00 179.45 178.68 3mfh h VAL 476 N 0.14 1.31 -0.51 0.50 2.07 -1.47 -2.45 116.25 115.83 3mfh h VAL 476 Ca 0.24 -1.78 0.04 0.00 0.82 0.00 0.00 66.70 66.03 3mfh h VAL 476 Cb 0.36 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3mfh h VAL 476 CO -0.39 0.56 0.27 1.23 0.02 0.00 0.00 177.57 179.25 3mfh h GLY 477 N 0.41 0.72 0.90 2.17 0.00 -0.65 0.15 103.07 106.76 3mfh h GLY 477 Ca -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3mfh h GLY 477 CO 0.12 0.12 0.09 -2.22 0.00 0.00 0.00 176.54 174.65 3mfh h ILE 478 N 0.52 1.20 -0.32 2.60 2.04 -0.82 0.15 117.51 122.88 3mfh h ILE 478 Ca 0.22 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.50 3mfh h ILE 478 Cb 0.12 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 3mfh h ILE 478 CO -0.15 0.22 -0.16 0.50 0.00 0.00 0.00 178.15 178.56 3mfh h LYS 479 N 0.31 -0.11 -0.50 2.37 3.64 -1.02 -0.93 116.57 120.33 3mfh h LYS 479 Ca 0.09 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 3mfh h LYS 479 Cb 0.25 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3mfh h LYS 479 CO -0.00 -0.07 -0.09 0.74 -2.27 0.00 0.00 179.45 177.76 3mfh h PHE 480 N -0.11 1.05 -0.17 1.91 0.04 -0.55 -1.14 116.94 117.97 3mfh h PHE 480 Ca 0.17 -0.21 -0.12 0.00 2.80 0.00 0.00 57.97 60.61 3mfh h PHE 480 Cb 0.36 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3mfh h PHE 480 CO -0.37 1.00 -0.40 -0.39 -0.60 0.00 0.00 178.31 177.55 3mfh h VAL 481 N 0.79 1.30 -0.16 -0.55 -1.51 -0.40 -0.77 116.25 114.96 3mfh h VAL 481 Ca 0.13 -1.53 -0.19 0.00 -1.23 0.00 0.00 66.70 63.88 3mfh h VAL 481 Cb 0.64 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 3mfh h VAL 481 CO 0.04 0.47 -0.67 0.71 -1.23 0.00 0.00 177.57 176.89 3mfh h THR 482 N 0.32 1.32 -0.57 7.19 1.35 -1.04 -1.01 112.91 120.46 3mfh h THR 482 Ca 0.03 -1.94 -0.01 0.00 -0.55 0.00 0.00 66.41 63.94 3mfh h THR 482 Cb 0.84 1.92 -0.03 0.00 -1.73 0.00 0.00 68.15 69.15 3mfh h THR 482 CO 0.07 0.61 0.34 0.44 -0.25 0.00 0.00 175.52 176.72 3mfh h ASP 483 N 0.45 0.69 0.24 5.36 3.32 -1.00 -2.48 116.42 123.01 3mfh h ASP 483 Ca -0.02 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 3mfh h ASP 483 Cb 1.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 3mfh h ASP 483 CO 0.13 0.56 -0.50 -0.07 -1.72 0.00 0.00 179.24 177.65 3mfh h LEU 484 N 0.77 0.32 -0.77 1.55 3.38 -1.06 -1.81 115.31 117.69 3mfh h LEU 484 Ca 0.20 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3mfh h LEU 484 Cb 0.00 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3mfh h LEU 484 CO -0.04 0.77 0.45 -0.78 0.09 0.00 0.00 178.44 178.93 3mfh h ASP 485 N 0.23 0.69 -0.14 -0.43 1.82 -0.97 -0.25 116.42 117.38 3mfh h ASP 485 Ca 0.01 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 3mfh h ASP 485 Cb 0.96 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.85 3mfh h ASP 485 CO 0.08 0.44 0.02 0.40 -1.61 0.00 0.00 179.24 178.57 3mfh h ILE 486 N 0.82 1.21 -0.09 2.25 2.04 -1.11 -2.70 117.51 119.94 3mfh h ILE 486 Ca 0.34 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.55 3mfh h ILE 486 Cb 0.20 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3mfh h ILE 486 CO -0.19 0.20 0.09 0.11 0.00 0.00 0.00 178.15 178.37 3mfh h LYS 487 N 0.01 0.00 -0.32 2.37 6.56 -0.62 -1.25 116.57 123.32 3mfh h LYS 487 Ca 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 3mfh h LYS 487 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 3mfh h LYS 487 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 3mfh n GLY 488 N -1.40 0.81 3.76 3.86 0.00 -0.17 -4.97 105.19 107.07 3mfh n GLY 488 Ca -0.01 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 3mfh n GLY 488 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mfh s LYS 489 N -1.58 4.18 -0.68 1.61 -2.85 -0.47 -2.18 119.74 117.76 3mfh s LYS 489 Ca 0.31 2.48 0.00 0.00 -1.00 0.00 0.00 55.97 57.76 3mfh s LYS 489 Cb 0.17 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 3mfh s LYS 489 CO 0.24 -0.51 0.00 0.09 0.10 0.00 0.00 175.35 175.27 3mfh n ASN 490 N 1.62 -4.65 -4.40 0.03 3.02 -1.26 -4.99 115.26 104.63 3mfh n ASN 490 Ca 0.05 0.16 -0.20 0.00 -0.03 0.00 0.00 54.58 54.56 3mfh n ASN 490 Cb 0.39 -2.72 -0.10 0.00 -0.61 0.00 0.00 39.78 36.74 3mfh n ASN 490 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mfh s LYS 491 N -2.15 1.49 -0.08 3.52 1.02 -0.93 -5.09 119.74 117.52 3mfh s LYS 491 Ca 0.00 -1.76 -0.29 0.00 0.02 0.00 0.00 55.97 53.94 3mfh s LYS 491 Cb 0.00 -0.95 -0.07 0.00 -0.52 0.00 0.00 37.83 36.30 3mfh s LYS 491 CO 0.00 -0.03 1.98 0.45 -0.92 0.00 0.00 175.35 176.83 3mfh s SER 492 N -3.40 6.16 0.00 2.83 0.15 -1.26 -4.81 113.70 113.36 3mfh s SER 492 Ca 0.30 2.28 0.00 0.00 0.70 0.00 0.00 55.95 59.22 3mfh s SER 492 Cb 0.05 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 3mfh s SER 492 CO 0.11 -1.34 0.00 0.00 1.20 0.00 0.00 173.24 173.21 3mfh n TYR 493 N 8.87 0.00 -2.51 3.44 9.36 -1.26 -4.66 117.16 130.41 3mfh n TYR 493 Ca 0.23 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 61.09 3mfh n TYR 493 Cb 0.43 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.11 3mfh n TYR 493 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3mfh s TYR 494 N 0.00 3.09 0.32 2.98 1.51 -1.26 -1.50 117.35 122.48 3mfh s TYR 494 Ca 0.00 1.60 -0.24 0.00 -1.01 0.00 0.00 57.07 57.43 3mfh s TYR 494 Cb 0.00 -3.13 -0.10 0.00 -0.11 0.00 0.00 41.96 38.62 3mfh s TYR 494 CO 0.00 -0.83 0.89 -1.25 -1.11 0.00 0.00 175.55 173.25 3mfh s PRO 495 N -2.87 4.44 0.68 -1.71 0.04 -1.26 -4.75 135.00 129.58 3mfh s PRO 495 Ca 0.63 1.17 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 3mfh s PRO 495 Cb -0.20 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.64 3mfh s PRO 495 CO 0.25 0.26 1.16 -0.51 0.04 0.00 0.00 177.00 178.19 3mfh s LEU 496 N -2.23 3.38 0.00 -3.56 1.43 -0.26 -2.45 118.68 114.99 3mfh s LEU 496 Ca 0.50 2.19 0.13 0.00 -1.03 0.00 0.00 54.13 55.92 3mfh s LEU 496 Cb -0.16 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.43 3mfh s LEU 496 CO 0.21 -1.90 0.67 0.35 0.23 0.00 0.00 176.35 175.91 3mfh n THR 497 N -2.47 0.00 -3.63 5.49 -2.24 0.22 -4.67 114.28 106.98 3mfh n THR 497 Ca 0.12 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.50 3mfh n THR 497 Cb 0.51 1.10 -0.07 0.00 -2.10 0.00 0.00 70.33 69.77 3mfh n THR 497 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3mfh s LYS 498 N -1.86 0.58 -0.07 -0.78 2.36 -1.17 -1.07 119.74 117.73 3mfh s LYS 498 Ca 0.09 0.59 -0.03 0.00 -2.55 0.00 0.00 55.97 54.07 3mfh s LYS 498 Cb 0.10 0.28 0.03 0.00 -1.05 0.00 0.00 37.83 37.20 3mfh s LYS 498 CO 0.41 -0.09 0.15 -1.17 1.55 0.00 0.00 175.35 176.20 3mfh s LEU 499 N 0.06 0.82 0.03 5.43 2.96 -0.27 -1.25 118.68 126.47 3mfh s LEU 499 Ca 0.02 0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 54.17 3mfh s LEU 499 Cb -0.04 0.42 -0.00 0.00 0.50 0.00 0.00 46.19 47.06 3mfh s LEU 499 CO -0.04 -0.13 0.15 -0.94 -1.32 0.00 0.00 176.35 174.07 3mfh s SER 500 N 0.99 0.07 -0.07 3.68 1.04 -0.23 -0.58 113.70 118.60 3mfh s SER 500 Ca -0.08 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.02 3mfh s SER 500 Cb -0.10 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.28 3mfh s SER 500 CO -0.05 -0.50 -0.17 -0.32 0.98 0.00 0.00 173.24 173.18 3mfh s MET 501 N -2.28 2.17 -0.07 4.02 1.75 -0.55 -1.64 119.30 122.69 3mfh s MET 501 Ca -0.07 -0.60 0.02 0.00 -1.25 0.00 0.00 55.69 53.78 3mfh s MET 501 Cb -0.03 -1.73 0.02 0.00 2.84 0.00 0.00 34.83 35.93 3mfh s MET 501 CO -0.03 0.11 -0.11 0.99 -0.65 0.00 0.00 175.02 175.34 3mfh s THR 502 N 0.46 1.07 -0.49 10.11 2.01 -0.30 -0.65 115.64 127.85 3mfh s THR 502 Ca -0.14 -0.42 -0.26 0.00 0.31 0.00 0.00 61.69 61.17 3mfh s THR 502 Cb -0.16 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.38 3mfh s THR 502 CO 0.05 0.35 0.99 -0.63 -0.69 0.00 0.00 174.62 174.69 3mfh s ILE 503 N 0.84 4.37 -0.74 1.82 1.01 0.73 -0.46 121.20 128.76 3mfh s ILE 503 Ca -0.11 0.75 0.23 0.00 0.00 0.00 0.00 60.65 61.51 3mfh s ILE 503 Cb -0.15 -4.51 -0.13 0.00 0.01 0.00 0.00 42.46 37.68 3mfh s ILE 503 CO 0.02 -0.96 1.04 0.35 0.00 0.00 0.00 174.94 175.38 3mfh n THR 504 N 6.47 0.09 -3.83 2.92 -2.24 -0.66 -1.68 114.28 115.35 3mfh n THR 504 Ca 0.06 -0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 3mfh n THR 504 Cb 0.48 0.39 -0.13 0.00 -2.10 0.00 0.00 70.33 68.98 3mfh n THR 504 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3mfh s ASN 505 N -3.57 -0.09 0.04 3.42 0.01 -1.23 -4.71 114.94 108.81 3mfh s ASN 505 Ca 0.05 0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.42 3mfh s ASN 505 Cb 0.15 0.17 -0.02 0.00 0.41 0.00 0.00 41.25 41.96 3mfh s ASN 505 CO 0.81 -0.04 -0.12 -0.36 -1.51 0.00 0.00 177.10 175.88 3mfh s PHE 506 N 0.13 1.01 -0.07 2.20 0.08 -1.26 -1.40 117.98 118.68 3mfh s PHE 506 Ca -0.01 -0.38 -0.11 0.00 0.12 0.00 0.00 56.93 56.55 3mfh s PHE 506 Cb -0.01 -0.60 -0.05 0.00 -0.57 0.00 0.00 43.02 41.79 3mfh s PHE 506 CO -0.00 0.01 0.28 -0.51 -0.10 0.00 0.00 175.22 174.89 3mfh s ASP 507 N -1.26 6.59 -0.19 1.36 1.01 0.31 -4.93 116.67 119.57 3mfh s ASP 507 Ca -0.02 0.71 0.01 0.00 0.71 0.00 0.00 52.55 53.95 3mfh s ASP 507 Cb -0.08 -2.17 0.04 0.00 1.01 0.00 0.00 42.92 41.72 3mfh s ASP 507 CO 0.01 0.34 -0.12 -0.63 0.21 0.00 0.00 175.17 174.98 3mfh s ILE 508 N -0.90 1.66 -0.19 0.77 1.01 -1.26 -0.76 121.20 121.53 3mfh s ILE 508 Ca 0.19 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.84 3mfh s ILE 508 Cb -0.14 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3mfh s ILE 508 CO 0.08 0.26 0.07 -0.63 0.00 0.00 0.00 174.94 174.72 3mfh s ILE 509 N 1.41 4.79 0.35 2.92 -1.09 0.24 -4.96 121.20 124.85 3mfh s ILE 509 Ca 0.00 -0.03 -0.23 0.00 -2.23 0.00 0.00 60.65 58.17 3mfh s ILE 509 Cb -0.15 -3.17 -0.10 0.00 -1.58 0.00 0.00 42.46 37.46 3mfh s ILE 509 CO -0.09 0.44 0.91 -1.81 -1.23 0.00 0.00 174.94 173.15 3mfh s ASP 510 N 0.56 7.12 0.44 3.58 1.01 -1.26 -1.43 116.67 126.68 3mfh s ASP 510 Ca 0.04 1.69 0.03 0.00 0.71 0.00 0.00 52.55 55.02 3mfh s ASP 510 Cb -0.13 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 3mfh s ASP 510 CO 0.01 -0.17 0.04 -0.76 0.21 0.00 0.00 175.17 174.49 3mfh s LEU 511 N -2.52 2.37 0.00 1.23 1.43 -1.17 -4.89 118.68 115.13 3mfh s LEU 511 Ca 0.54 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 3mfh s LEU 511 Cb -0.14 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.47 3mfh s LEU 511 CO 0.19 -0.73 0.00 1.67 0.23 0.00 0.00 176.35 177.71