#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3daf s LYS 2 N 0.00 3.54 -0.11 3.17 2.20 -1.26 -1.62 119.74 125.66 3daf s LYS 2 Ca 0.00 -0.39 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 3daf s LYS 2 Cb 0.00 -3.00 -0.00 0.00 -1.51 0.00 0.00 37.83 33.31 3daf s LYS 2 CO 0.00 0.45 -0.21 0.42 -0.36 0.00 0.00 175.35 175.65 3daf s ILE 3 N -0.16 2.31 -0.13 5.43 1.01 -0.53 -0.84 121.20 128.28 3daf s ILE 3 Ca 0.06 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 3daf s ILE 3 Cb -0.12 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 3daf s ILE 3 CO 0.02 0.55 0.10 0.00 0.00 0.00 0.00 174.94 175.61 3daf s ALA 4 N 0.32 3.67 -0.21 9.38 0.00 -0.52 -1.53 121.76 132.87 3daf s ALA 4 Ca -0.16 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3daf s ALA 4 Cb -0.17 -1.90 0.03 0.00 0.00 0.00 0.00 23.12 21.08 3daf s ALA 4 CO 0.08 0.49 -0.16 0.42 0.00 0.00 0.00 175.76 176.59 3daf s ILE 5 N -0.61 2.26 -0.46 0.00 1.01 0.42 -0.22 121.20 123.60 3daf s ILE 5 Ca 0.12 -1.07 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 3daf s ILE 5 Cb -0.12 -2.06 0.09 0.00 0.01 0.00 0.00 42.46 40.39 3daf s ILE 5 CO 0.02 0.37 0.34 -0.76 0.00 0.00 0.00 174.94 174.92 3daf s LEU 6 N 1.27 5.51 0.00 2.97 1.43 0.71 -0.51 118.68 130.06 3daf s LEU 6 Ca 0.02 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.53 3daf s LEU 6 Cb -0.15 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3daf s LEU 6 CO -0.10 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 176.46 3daf n GLY 7 N 5.02 2.56 0.10 -3.19 0.00 0.77 -0.08 105.19 110.37 3daf n GLY 7 Ca -0.11 -1.18 0.07 0.00 0.00 0.00 0.00 46.02 44.80 3daf n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3daf n ALA 8 N 1.39 2.30 0.00 4.61 0.00 -1.26 -4.60 120.51 122.95 3daf n ALA 8 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3daf n ALA 8 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3daf n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3daf n GLY 9 N 1.27 -1.62 3.03 0.00 0.00 -1.26 -4.15 105.19 102.46 3daf n GLY 9 Ca -0.04 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 3daf n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3daf n TYR 11 N 2.75 0.32 -0.26 0.00 9.36 -0.48 -4.31 117.16 124.55 3daf n TYR 11 Ca -0.14 0.10 0.01 0.00 3.32 0.00 0.00 57.90 61.19 3daf n TYR 11 Cb 0.57 -0.67 0.14 0.00 -0.63 0.00 0.00 39.34 38.75 3daf n TYR 11 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 3daf h ARG 12 N 0.00 0.68 0.00 2.98 0.11 -1.94 -0.05 114.38 116.16 3daf h ARG 12 Ca 0.00 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 59.96 3daf h ARG 12 Cb 0.50 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 3daf h ARG 12 CO 0.00 0.45 -0.37 1.79 0.10 0.00 0.00 179.97 181.94 3daf h THR 13 N 0.70 0.91 -0.04 0.08 1.35 -1.99 -1.38 112.91 112.53 3daf h THR 13 Ca 0.35 -1.47 -0.02 0.00 -0.55 0.00 0.00 66.41 64.72 3daf h THR 13 Cb 0.31 1.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3daf h THR 13 CO -0.23 0.36 -0.07 0.45 -0.25 0.00 0.00 175.52 175.78 3daf h HIS 14 N 0.00 0.15 -0.48 4.73 3.86 -1.31 -1.91 115.15 120.18 3daf h HIS 14 Ca -0.00 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.21 3daf h HIS 14 Cb 0.86 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 29.25 3daf h HIS 14 CO 0.00 0.63 0.21 0.00 0.86 0.00 0.00 177.93 179.63 3daf h ALA 15 N 0.49 0.60 -0.57 2.45 0.00 -1.14 -2.84 119.26 118.26 3daf h ALA 15 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3daf h ALA 15 Cb 0.61 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3daf h ALA 15 CO 0.01 -0.16 0.18 0.00 0.00 0.00 0.00 179.25 179.29 3daf h ALA 16 N 1.28 1.25 -0.32 0.00 0.00 -1.21 -2.51 119.26 117.76 3daf h ALA 16 Ca 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3daf h ALA 16 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3daf h ALA 16 CO -0.18 0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.69 3daf h ALA 17 N 1.37 1.56 0.00 0.00 0.00 -1.10 -3.47 119.26 117.62 3daf h ALA 17 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3daf h ALA 17 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3daf h ALA 17 CO -0.01 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 3daf n GLY 18 N -1.15 0.58 0.27 0.00 0.00 -0.95 -4.83 105.19 99.11 3daf n GLY 18 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3daf n GLY 18 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3daf n ILE 19 N -2.63 0.83 -4.39 -0.61 -5.35 -1.26 -5.08 119.36 100.86 3daf n ILE 19 Ca 0.00 -0.98 -0.25 0.00 -0.27 0.00 0.00 62.75 61.25 3daf n ILE 19 Cb 0.04 0.23 -0.09 0.00 -1.74 0.00 0.00 39.64 38.08 3daf n ILE 19 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3daf s THR 20 N -1.23 2.60 0.08 7.28 -4.23 -1.26 -5.14 115.64 113.72 3daf s THR 20 Ca 0.13 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3daf s THR 20 Cb 0.11 -2.71 -0.00 0.00 1.34 0.00 0.00 72.50 71.24 3daf s THR 20 CO 0.01 -0.24 0.09 -0.46 -0.54 0.00 0.00 174.62 173.49 3daf n ASN 21 N -0.88 -0.25 -1.45 3.99 0.23 -1.26 -5.03 115.26 110.61 3daf n ASN 21 Ca -0.05 -1.43 -0.09 0.00 -0.53 0.00 0.00 54.58 52.48 3daf n ASN 21 Cb 0.62 0.50 0.20 0.00 -2.08 0.00 0.00 39.78 39.02 3daf n ASN 21 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3daf n PHE 22 N -0.13 1.62 -0.07 -2.53 3.01 -1.26 -3.27 117.46 114.83 3daf n PHE 22 Ca 0.01 -1.62 -0.07 0.00 1.01 0.00 0.00 57.45 56.77 3daf n PHE 22 Cb 0.13 -0.61 -0.00 0.00 -0.01 0.00 0.00 39.48 38.99 3daf n PHE 22 CO 0.00 0.00 0.00 1.98 1.01 0.00 0.00 176.76 179.75 3daf h MET 23 N 1.09 0.13 -0.24 -1.08 4.05 -1.65 -0.42 114.93 116.81 3daf h MET 23 Ca 0.32 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.68 3daf h MET 23 Cb 1.98 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.74 3daf h MET 23 CO 0.57 0.09 -0.04 -0.09 0.23 0.00 0.00 176.91 177.67 3daf h ARG 24 N 0.14 0.45 -0.91 0.39 9.65 -0.97 -1.47 114.38 121.65 3daf h ARG 24 Ca 0.13 -0.17 0.17 0.00 -1.10 0.00 0.00 59.98 59.02 3daf h ARG 24 Cb 0.15 -0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 28.60 3daf h ARG 24 CO -0.19 0.67 0.49 0.00 2.80 0.00 0.00 179.97 183.74 3daf h ALA 25 N 0.77 1.42 -0.44 2.80 0.00 -0.95 -0.83 119.26 122.02 3daf h ALA 25 Ca 0.06 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3daf h ALA 25 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3daf h ALA 25 CO 0.02 -0.10 -0.20 0.00 0.00 0.00 0.00 179.25 178.97 3daf h GLU 27 N 0.74 0.44 -0.07 0.00 5.08 -0.68 -1.67 114.58 118.43 3daf h GLU 27 Ca 0.10 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3daf h GLU 27 Cb 0.76 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 3daf h GLU 27 CO 0.06 0.37 0.03 0.28 -1.00 0.00 0.00 179.01 178.76 3daf h VAL 28 N 0.39 1.10 -0.70 3.13 2.07 -1.09 -1.39 116.25 119.77 3daf h VAL 28 Ca 0.11 -0.30 0.15 0.00 0.82 0.00 0.00 66.70 67.48 3daf h VAL 28 Cb 0.06 1.18 -0.11 0.00 -1.52 0.00 0.00 31.29 30.89 3daf h VAL 28 CO -0.02 0.09 0.07 0.00 0.02 0.00 0.00 177.57 177.73 3daf h ALA 29 N 0.92 0.78 -0.27 1.67 0.00 -1.03 -1.22 119.26 120.11 3daf h ALA 29 Ca 0.02 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3daf h ALA 29 Cb 0.11 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3daf h ALA 29 CO -0.00 -0.39 0.09 -0.22 0.00 0.00 0.00 179.25 178.73 3daf h LYS 30 N 0.16 0.42 -0.76 0.00 3.64 -1.02 -0.66 116.57 118.36 3daf h LYS 30 Ca 0.38 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3daf h LYS 30 Cb 0.65 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 3daf h LYS 30 CO -0.56 0.47 0.46 1.49 -2.27 0.00 0.00 179.45 179.04 3daf h GLU 31 N 0.28 1.03 -0.36 1.90 4.57 -0.58 -2.51 114.58 118.91 3daf h GLU 31 Ca 0.09 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3daf h GLU 31 Cb 0.22 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3daf h GLU 31 CO -0.00 0.72 0.00 1.33 -1.18 0.00 0.00 179.01 179.88 3daf n VAL 32 N -4.51 0.45 -3.23 0.32 0.24 -0.52 -4.96 118.33 106.13 3daf n VAL 32 Ca 0.07 -0.70 -0.23 0.00 -2.04 0.00 0.00 64.34 61.44 3daf n VAL 32 Cb 0.05 0.94 0.04 0.00 -1.47 0.00 0.00 33.84 33.41 3daf n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3daf n GLY 33 N 1.47 -0.52 2.78 7.63 0.00 -0.38 -4.99 105.19 111.18 3daf n GLY 33 Ca 0.19 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 3daf n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3daf s LYS 34 N -5.92 1.40 0.48 1.61 1.02 -0.45 -5.01 119.74 112.86 3daf s LYS 34 Ca 0.40 -2.06 0.23 0.00 0.02 0.00 0.00 55.97 54.56 3daf s LYS 34 Cb -0.18 -2.57 1.25 0.00 -0.52 0.00 0.00 37.83 35.81 3daf s LYS 34 CO 0.49 -1.12 1.90 -1.35 -0.92 0.00 0.00 175.35 174.35 3daf h PRO 35 N 6.84 0.21 -0.15 -1.68 0.11 -1.94 -2.02 132.00 133.37 3daf h PRO 35 Ca -0.04 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.10 3daf h PRO 35 Cb 0.93 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3daf h PRO 35 CO 0.53 0.14 0.14 0.93 -0.21 0.00 0.00 178.00 179.53 3daf h GLU 36 N 0.22 0.00 0.00 1.05 3.07 -1.94 -0.33 114.58 116.65 3daf h GLU 36 Ca 0.40 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.22 3daf h GLU 36 Cb 1.23 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 3daf h GLU 36 CO -0.08 0.00 -0.19 0.82 -1.40 0.00 0.00 179.01 178.16 3daf h ILE 37 N 0.00 0.69 0.00 3.13 2.04 -1.68 -2.70 117.51 118.98 3daf h ILE 37 Ca 0.07 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 3daf h ILE 37 Cb 0.35 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3daf h ILE 37 CO -0.00 0.19 -0.01 0.00 0.00 0.00 0.00 178.15 178.33 3daf h ALA 38 N 1.81 1.10 -0.02 1.87 0.00 -1.11 -2.24 119.26 120.67 3daf h ALA 38 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3daf h ALA 38 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3daf h ALA 38 CO 0.02 0.01 -0.08 1.28 0.00 0.00 0.00 179.25 180.48 3daf n LEU 39 N -3.24 2.01 -4.82 0.00 4.77 -1.02 -4.41 117.00 110.30 3daf n LEU 39 Ca -0.02 -0.67 -0.31 0.00 -0.03 0.00 0.00 56.01 54.97 3daf n LEU 39 Cb 0.11 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3daf n LEU 39 CO 0.23 0.34 0.71 0.42 -1.33 0.00 0.00 177.39 177.76 3daf s THR 40 N -2.11 4.08 0.14 -5.08 -4.23 -0.84 -4.28 115.64 103.31 3daf s THR 40 Ca 0.31 0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 61.55 3daf s THR 40 Cb 0.20 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 3daf s THR 40 CO 0.37 -0.79 0.12 -1.38 -0.54 0.00 0.00 174.62 172.39 3daf s HIS 41 N -2.89 0.74 0.00 3.99 -3.43 -1.26 -4.73 115.29 107.70 3daf s HIS 41 Ca 0.59 -1.11 0.00 0.00 -0.80 0.00 0.00 55.06 53.74 3daf s HIS 41 Cb -0.14 -0.37 0.00 0.00 -1.43 0.00 0.00 32.58 30.64 3daf s HIS 41 CO 0.49 -0.57 0.00 0.43 -2.00 0.00 0.00 174.74 173.09 3daf n SER 42 N -0.12 0.00 0.11 7.38 7.64 -1.26 -1.76 113.62 125.61 3daf n SER 42 Ca -0.06 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.93 3daf n SER 42 Cb 0.63 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 64.30 3daf n SER 42 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3daf n SER 43 N 1.07 0.58 -0.12 6.43 3.41 -1.26 -2.13 113.62 121.60 3daf n SER 43 Ca 0.00 0.64 -0.13 0.00 -0.26 0.00 0.00 58.87 59.12 3daf n SER 43 Cb 0.00 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.16 3daf n SER 43 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3daf h ILE 44 N 0.00 1.28 -0.26 -1.33 1.08 -1.54 -0.14 117.51 116.60 3daf h ILE 44 Ca 0.00 -1.51 0.04 0.00 -0.39 0.00 0.00 64.86 63.00 3daf h ILE 44 Cb 0.36 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 3daf h ILE 44 CO 0.00 0.50 0.02 0.74 -0.69 0.00 0.00 178.15 178.73 3daf h THR 45 N 0.70 0.84 -0.34 -0.27 2.02 -1.21 -0.24 112.91 114.41 3daf h THR 45 Ca 0.06 -0.04 0.07 0.00 0.77 0.00 0.00 66.41 67.28 3daf h THR 45 Cb 0.93 0.72 -0.08 0.00 -1.74 0.00 0.00 68.15 67.99 3daf h THR 45 CO 0.09 0.02 -0.17 1.88 0.37 0.00 0.00 175.52 177.71 3daf h TYR 46 N 0.11 -0.41 -0.47 3.16 0.05 -1.24 -1.50 116.97 116.66 3daf h TYR 46 Ca 0.12 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.95 3daf h TYR 46 Cb 0.14 0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 3daf h TYR 46 CO -0.18 -0.24 0.30 0.78 -1.05 0.00 0.00 178.16 177.77 3daf h GLY 47 N -0.11 0.67 0.95 3.88 0.00 -0.65 -1.46 103.07 106.34 3daf h GLY 47 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3daf h GLY 47 CO -0.41 0.22 0.16 0.00 0.00 0.00 0.00 176.54 176.51 3daf h ALA 48 N 1.19 0.42 -0.43 3.60 0.00 -0.85 -0.94 119.26 122.25 3daf h ALA 48 Ca 0.18 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3daf h ALA 48 Cb -0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 3daf h ALA 48 CO -0.05 -0.02 0.07 0.93 0.00 0.00 0.00 179.25 180.17 3daf h GLU 49 N 0.40 0.19 -0.26 0.00 5.08 -1.15 -1.29 114.58 117.55 3daf h GLU 49 Ca 0.11 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3daf h GLU 49 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3daf h GLU 49 CO -0.02 0.12 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.99 3daf h LEU 50 N 0.19 0.51 -0.55 1.33 3.38 -0.91 0.56 115.31 119.82 3daf h LEU 50 Ca 0.21 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 3daf h LEU 50 Cb 0.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3daf h LEU 50 CO -0.29 0.76 -0.14 0.25 0.09 0.00 0.00 178.44 179.10 3daf h LEU 51 N 0.26 1.03 0.00 1.67 5.85 -1.17 -2.88 115.31 120.07 3daf h LEU 51 Ca 0.07 -0.35 -0.19 0.00 0.84 0.00 0.00 57.88 58.24 3daf h LEU 51 Cb 0.53 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3daf h LEU 51 CO 0.03 1.15 -1.71 1.41 -0.34 0.00 0.00 178.44 178.97 3daf n HIS 52 N -4.13 0.65 -0.05 1.25 8.25 -0.49 -4.50 115.22 116.19 3daf n HIS 52 Ca 0.01 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 3daf n HIS 52 Cb 0.42 -1.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.37 3daf n HIS 52 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3daf n LEU 53 N -2.78 0.04 -4.36 2.41 4.77 0.18 -4.89 117.00 112.36 3daf n LEU 53 Ca -0.14 0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.47 3daf n LEU 53 Cb 0.88 0.24 -0.12 0.00 -2.33 0.00 0.00 43.42 42.10 3daf n LEU 53 CO 0.43 0.25 -0.23 -0.69 -1.33 0.00 0.00 177.39 175.82 3daf s VAL 54 N -3.00 4.20 0.19 4.08 1.01 -1.08 -4.87 120.40 120.93 3daf s VAL 54 Ca -0.09 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 3daf s VAL 54 Cb 0.10 -3.22 0.10 0.00 0.00 0.00 0.00 36.38 33.36 3daf s VAL 54 CO 0.87 -0.02 1.74 -0.65 0.00 0.00 0.00 175.10 177.03 3daf h PRO 55 N 8.30 0.32 0.00 2.72 0.11 -1.90 -2.08 132.00 139.46 3daf h PRO 55 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3daf h PRO 55 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3daf h PRO 55 CO 0.62 0.21 0.00 -3.47 -0.21 0.00 0.00 178.00 175.15 3daf n ASP 56 N -5.04 0.40 -4.62 -2.05 2.03 -1.26 -4.61 116.55 101.40 3daf n ASP 56 Ca 0.06 0.58 -0.43 0.00 0.52 0.00 0.00 54.79 55.51 3daf n ASP 56 Cb 0.22 -0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 39.93 3daf n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3daf s VAL 57 N -3.14 4.10 -0.08 5.18 1.01 -0.78 -0.18 120.40 126.51 3daf s VAL 57 Ca 0.08 1.19 0.13 0.00 0.00 0.00 0.00 61.98 63.38 3daf s VAL 57 Cb 0.11 -4.25 -0.20 0.00 0.00 0.00 0.00 36.38 32.04 3daf s VAL 57 CO 0.41 -0.65 0.19 0.29 0.00 0.00 0.00 175.10 175.34 3daf n LYS 58 N 7.61 1.10 -3.77 2.72 4.76 -0.64 -4.78 118.16 125.16 3daf n LYS 58 Ca 0.15 -0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 3daf n LYS 58 Cb 0.47 -1.35 -0.12 0.00 -1.84 0.00 0.00 35.03 32.19 3daf n LYS 58 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3daf s GLU 59 N -2.68 0.24 -0.09 1.97 2.12 -1.19 -5.04 118.70 114.04 3daf s GLU 59 Ca -0.06 0.40 -0.00 0.00 0.36 0.00 0.00 54.97 55.66 3daf s GLU 59 Cb 0.07 0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.52 3daf s GLU 59 CO 0.58 -0.08 -0.05 0.08 -0.54 0.00 0.00 175.26 175.25 3daf s VAL 60 N 0.55 0.78 -0.12 3.70 1.01 -1.26 -1.45 120.40 123.61 3daf s VAL 60 Ca -0.03 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3daf s VAL 60 Cb -0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3daf s VAL 60 CO -0.03 0.32 -0.17 -0.51 0.00 0.00 0.00 175.10 174.71 3daf s ILE 61 N 1.64 2.71 -0.20 2.22 2.07 -0.58 -0.98 121.20 128.08 3daf s ILE 61 Ca 0.02 -0.79 -0.06 0.00 -1.41 0.00 0.00 60.65 58.41 3daf s ILE 61 Cb -0.13 -2.11 -0.03 0.00 0.13 0.00 0.00 42.46 40.32 3daf s ILE 61 CO -0.06 0.54 0.04 -0.69 -1.91 0.00 0.00 174.94 172.86 3daf s VAL 62 N 0.29 4.40 -0.06 4.00 1.01 0.53 -0.44 120.40 130.13 3daf s VAL 62 Ca -0.13 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3daf s VAL 62 Cb -0.16 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 3daf s VAL 62 CO 0.07 0.42 -0.11 -0.55 0.00 0.00 0.00 175.10 174.92 3daf s SER 63 N 0.85 4.26 -0.28 3.32 0.15 0.33 -1.35 113.70 120.98 3daf s SER 63 Ca 0.03 -0.14 -0.23 0.00 0.70 0.00 0.00 55.95 56.31 3daf s SER 63 Cb -0.14 -1.01 0.09 0.00 -1.71 0.00 0.00 66.02 63.25 3daf s SER 63 CO 0.02 0.34 0.81 -0.62 1.20 0.00 0.00 173.24 175.00 3daf s ASP 64 N -0.69 -0.69 0.61 5.45 -1.08 -0.77 -0.17 116.67 119.33 3daf s ASP 64 Ca 0.11 1.27 0.31 0.00 -0.52 0.00 0.00 52.55 53.72 3daf s ASP 64 Cb -0.11 1.29 1.76 0.00 -1.46 0.00 0.00 42.92 44.40 3daf s ASP 64 CO 0.01 -0.21 2.10 -0.65 0.52 0.00 0.00 175.17 176.93 3daf h PRO 65 N 5.17 0.00 -0.32 4.34 0.11 -1.86 -2.48 132.00 136.97 3daf h PRO 65 Ca -0.29 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.91 3daf h PRO 65 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3daf h PRO 65 CO 0.09 0.00 0.23 0.00 -0.21 0.00 0.00 178.00 178.11 3daf n PHE 67 N -4.45 0.51 0.02 0.00 3.72 -0.93 -1.58 117.46 114.75 3daf n PHE 67 Ca 0.05 0.23 0.03 0.00 -0.05 0.00 0.00 57.45 57.71 3daf n PHE 67 Cb 0.39 -0.87 0.07 0.00 -0.94 0.00 0.00 39.48 38.13 3daf n PHE 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3daf n ALA 68 N -1.68 2.22 -2.41 4.37 0.00 0.10 -4.85 120.51 118.26 3daf n ALA 68 Ca 0.01 -0.92 -0.20 0.00 0.00 0.00 0.00 53.44 52.33 3daf n ALA 68 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 3daf n ALA 68 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3daf s GLU 69 N -0.86 2.83 -0.15 0.00 0.41 -0.61 -5.04 118.70 115.28 3daf s GLU 69 Ca 0.12 -1.24 0.02 0.00 -0.41 0.00 0.00 54.97 53.46 3daf s GLU 69 Cb 0.07 -2.59 0.01 0.00 -1.78 0.00 0.00 34.13 29.84 3daf s GLU 69 CO 0.09 0.02 -0.20 -2.00 -0.49 0.00 0.00 175.26 172.67 3daf s GLU 70 N -4.10 2.88 0.50 1.61 2.56 -1.26 -2.63 118.70 118.26 3daf s GLU 70 Ca 0.44 -0.80 0.29 0.00 0.00 0.00 0.00 54.97 54.91 3daf s GLU 70 Cb -0.07 -2.38 1.03 0.00 2.00 0.00 0.00 34.13 34.71 3daf s GLU 70 CO 0.29 -0.08 1.86 -1.00 -0.56 0.00 0.00 175.26 175.77 3daf h PRO 71 N 7.51 0.00 0.00 4.30 0.13 -1.94 -3.46 132.00 138.55 3daf h PRO 71 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3daf h PRO 71 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3daf h PRO 71 CO 0.56 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 3daf n GLY 72 N 0.33 0.58 3.62 1.56 0.00 0.13 -4.65 105.19 106.77 3daf n GLY 72 Ca 0.01 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 3daf n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3daf s LEU 73 N 0.00 3.80 -0.24 0.99 0.20 -1.21 -1.67 118.68 120.55 3daf s LEU 73 Ca 0.00 1.33 -0.09 0.00 0.69 0.00 0.00 54.13 56.06 3daf s LEU 73 Cb 0.00 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.19 3daf s LEU 73 CO 0.00 -1.27 0.11 -0.69 -0.29 0.00 0.00 176.35 174.21 3daf s VAL 74 N 5.12 4.77 -0.29 1.68 1.01 0.08 -4.95 120.40 127.82 3daf s VAL 74 Ca 0.66 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.54 3daf s VAL 74 Cb -0.20 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 3daf s VAL 74 CO 0.28 0.34 0.10 -0.69 0.00 0.00 0.00 175.10 175.13 3daf s VAL 75 N 1.31 4.24 -0.48 2.92 1.01 -1.26 -0.75 120.40 127.39 3daf s VAL 75 Ca 0.06 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 3daf s VAL 75 Cb -0.15 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.14 3daf s VAL 75 CO 0.05 0.15 1.04 -0.63 0.00 0.00 0.00 175.10 175.71 3daf s ILE 76 N 1.56 4.32 -1.07 2.22 1.01 0.05 -4.93 121.20 124.36 3daf s ILE 76 Ca 0.04 0.95 0.16 0.00 0.00 0.00 0.00 60.65 61.80 3daf s ILE 76 Cb -0.17 -4.54 0.51 0.00 0.01 0.00 0.00 42.46 38.28 3daf s ILE 76 CO 0.04 -0.96 1.43 -0.90 0.00 0.00 0.00 174.94 174.55 3daf n ASP 77 N 7.57 3.74 0.00 3.58 5.75 -1.26 -4.39 116.55 131.54 3daf n ASP 77 Ca 0.09 -2.26 0.15 0.00 -0.01 0.00 0.00 54.79 52.76 3daf n ASP 77 Cb 0.49 -0.42 0.84 0.00 -1.03 0.00 0.00 41.12 41.00 3daf n ASP 77 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 3daf n GLU 78 N 0.74 0.72 -4.02 0.11 0.28 -1.26 -4.75 120.64 112.47 3daf n GLU 78 Ca 0.19 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.85 3daf n GLU 78 Cb 0.65 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.92 3daf n GLU 78 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3daf s PHE 79 N -2.25 3.22 -0.25 -1.84 0.40 -1.26 -5.07 117.98 110.94 3daf s PHE 79 Ca 0.38 0.02 -0.29 0.00 -0.60 0.00 0.00 56.93 56.44 3daf s PHE 79 Cb 0.20 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.66 3daf s PHE 79 CO 0.39 0.11 1.10 0.34 0.70 0.00 0.00 175.22 177.86 3daf s ASP 80 N 0.44 7.01 0.34 1.36 3.68 -1.26 -4.94 116.67 123.30 3daf s ASP 80 Ca 0.03 1.34 0.07 0.00 2.13 0.00 0.00 52.55 56.11 3daf s ASP 80 Cb -0.13 -2.54 0.75 0.00 -1.45 0.00 0.00 42.92 39.55 3daf s ASP 80 CO 0.01 -0.76 1.88 1.55 0.13 0.00 0.00 175.17 177.98 3daf h PRO 81 N 7.82 0.74 -0.28 4.34 0.13 -1.96 -1.38 132.00 141.41 3daf h PRO 81 Ca -0.21 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.77 3daf h PRO 81 Cb 1.07 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 3daf h PRO 81 CO 0.99 0.49 -0.29 0.87 -0.23 0.00 0.00 178.00 179.84 3daf h LYS 82 N 0.77 0.57 -0.46 0.86 1.57 -1.92 0.70 116.57 118.65 3daf h LYS 82 Ca 0.43 -0.24 -0.13 0.00 -1.87 0.00 0.00 60.65 58.84 3daf h LYS 82 Cb 0.59 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3daf h LYS 82 CO -0.19 0.80 -0.23 0.93 -0.57 0.00 0.00 179.45 180.18 3daf h GLU 83 N 0.49 0.97 -0.52 3.15 5.08 -1.81 -1.00 114.58 120.95 3daf h GLU 83 Ca 0.06 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3daf h GLU 83 Cb 0.75 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3daf h GLU 83 CO 0.06 1.10 0.30 0.28 -1.00 0.00 0.00 179.01 179.74 3daf h VAL 84 N 0.82 1.17 -0.55 3.13 2.07 -0.96 -1.61 116.25 120.32 3daf h VAL 84 Ca 0.10 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3daf h VAL 84 Cb 0.81 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3daf h VAL 84 CO 0.07 0.18 0.34 0.24 0.02 0.00 0.00 177.57 178.42 3daf h MET 85 N 0.70 0.75 -0.56 1.57 2.86 -0.75 -1.86 114.93 117.63 3daf h MET 85 Ca 0.18 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3daf h MET 85 Cb 0.03 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3daf h MET 85 CO -0.03 0.53 0.28 0.93 1.06 0.00 0.00 176.91 179.68 3daf h GLU 86 N 0.75 0.80 -0.45 1.72 4.39 -0.95 0.12 114.58 120.96 3daf h GLU 86 Ca 0.20 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3daf h GLU 86 Cb -0.03 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 3daf h GLU 86 CO -0.04 0.64 0.21 0.00 -1.16 0.00 0.00 179.01 178.66 3daf h ALA 87 N 1.12 0.58 0.03 3.43 0.00 -1.13 -2.03 119.26 121.26 3daf h ALA 87 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3daf h ALA 87 Cb 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3daf h ALA 87 CO -0.03 0.16 -0.02 0.45 0.00 0.00 0.00 179.25 179.81 3daf h HIS 88 N 0.58 -0.04 0.00 0.00 3.86 -1.11 0.11 115.15 118.56 3daf h HIS 88 Ca 0.15 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3daf h HIS 88 Cb 0.14 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 3daf h HIS 88 CO -0.01 0.53 -0.05 -0.07 0.86 0.00 0.00 177.93 179.19 3daf h LEU 89 N -0.65 0.00 -0.09 2.43 3.38 -0.80 -1.21 115.31 118.37 3daf h LEU 89 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3daf h LEU 89 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3daf h LEU 89 CO 0.01 0.05 -0.00 -1.54 0.09 0.00 0.00 178.44 177.04 3daf n SER 90 N -3.14 0.15 0.00 -0.43 3.41 -0.76 -4.93 113.62 107.92 3daf n SER 90 Ca 0.02 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 3daf n SER 90 Cb 0.40 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3daf n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3daf n GLY 91 N 1.05 0.39 2.72 5.00 0.00 -0.46 -5.00 105.19 108.89 3daf n GLY 91 Ca 0.23 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 3daf n GLY 91 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3daf n ASN 92 N 1.83 4.31 0.06 1.61 3.02 0.37 -4.91 115.26 121.55 3daf n ASN 92 Ca 0.00 -3.64 0.15 0.00 -0.03 0.00 0.00 54.58 51.06 3daf n ASN 92 Cb 0.00 -0.52 0.64 0.00 -0.61 0.00 0.00 39.78 39.29 3daf n ASN 92 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3daf h PRO 93 N 2.83 0.07 0.00 3.52 0.13 -1.74 -1.75 132.00 135.06 3daf h PRO 93 Ca 0.19 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3daf h PRO 93 Cb 0.71 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3daf h PRO 93 CO 0.81 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 179.01 3daf n GLU 94 N -4.44 0.72 0.18 0.86 -0.58 -1.26 -1.60 120.64 114.52 3daf n GLU 94 Ca 0.06 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.93 3daf n GLU 94 Cb 0.41 -1.50 0.42 0.00 -0.57 0.00 0.00 31.44 30.20 3daf n GLU 94 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3daf h SER 95 N 0.00 0.00 0.00 1.62 4.64 -1.67 -3.38 113.55 114.75 3daf h SER 95 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3daf h SER 95 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3daf h SER 95 CO 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 176.83 175.31 3daf n ILE 96 N -2.68 0.00 -0.18 0.95 0.13 -0.81 -4.88 119.36 111.89 3daf n ILE 96 Ca 0.03 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.64 3daf n ILE 96 Cb 0.39 -0.56 0.05 0.00 -0.84 0.00 0.00 39.64 38.68 3daf n ILE 96 CO 0.00 0.00 0.00 0.24 2.80 0.00 0.00 176.55 179.59 3daf h MET 97 N 0.00 0.54 -0.95 9.51 2.86 -1.48 -2.51 114.93 122.90 3daf h MET 97 Ca 0.00 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3daf h MET 97 Cb 0.59 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 3daf h MET 97 CO 0.00 0.36 0.61 -1.35 1.06 0.00 0.00 176.91 177.59 3daf h PRO 98 N 0.56 1.05 -0.44 -0.22 0.11 -1.86 0.16 132.00 131.37 3daf h PRO 98 Ca 0.23 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 3daf h PRO 98 Cb 0.10 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 3daf h PRO 98 CO -0.14 0.70 0.12 -0.22 -0.21 0.00 0.00 178.00 178.25 3daf h LYS 99 N 1.09 0.70 -0.29 1.05 3.64 -1.83 -0.79 116.57 120.13 3daf h LYS 99 Ca 0.42 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3daf h LYS 99 Cb 0.20 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3daf h LYS 99 CO -0.18 0.69 0.15 0.82 -2.27 0.00 0.00 179.45 178.66 3daf h ILE 100 N 0.58 1.01 -0.40 2.00 2.04 -0.90 -1.35 117.51 120.48 3daf h ILE 100 Ca 0.14 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.90 3daf h ILE 100 Cb 0.30 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3daf h ILE 100 CO -0.00 0.06 0.25 0.03 0.00 0.00 0.00 178.15 178.49 3daf h ARG 101 N 0.32 0.49 -0.33 2.37 3.08 -0.53 -0.67 114.38 119.12 3daf h ARG 101 Ca 0.12 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 3daf h ARG 101 Cb 0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3daf h ARG 101 CO -0.07 0.32 -0.38 0.93 -1.07 0.00 0.00 179.97 179.70 3daf h GLU 102 N 0.50 0.78 -0.14 0.04 4.39 -0.97 -0.29 114.58 118.89 3daf h GLU 102 Ca 0.15 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 3daf h GLU 102 Cb -0.02 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3daf h GLU 102 CO -0.06 1.02 0.07 0.28 -1.16 0.00 0.00 179.01 179.17 3daf h VAL 103 N 0.64 1.12 -0.38 3.13 2.07 -1.04 -1.58 116.25 120.20 3daf h VAL 103 Ca 0.06 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3daf h VAL 103 Cb 0.94 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3daf h VAL 103 CO 0.09 0.11 0.24 0.58 0.02 0.00 0.00 177.57 178.60 3daf h VAL 104 N 0.10 1.07 -0.87 2.57 2.07 -0.94 -1.80 116.25 118.45 3daf h VAL 104 Ca 0.05 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3daf h VAL 104 Cb 0.11 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3daf h VAL 104 CO -0.01 0.09 0.52 0.11 0.02 0.00 0.00 177.57 178.30 3daf h LYS 105 N 0.49 1.19 -0.44 1.57 1.57 -0.98 0.18 116.57 120.15 3daf h LYS 105 Ca 0.15 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3daf h LYS 105 Cb -0.03 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 3daf h LYS 105 CO -0.05 0.84 -0.05 0.00 -0.57 0.00 0.00 179.45 179.61 3daf h ALA 106 N 1.36 0.61 -0.62 3.86 0.00 -1.13 -2.65 119.26 120.70 3daf h ALA 106 Ca 0.31 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3daf h ALA 106 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3daf h ALA 106 CO -0.06 0.45 0.16 -0.22 0.00 0.00 0.00 179.25 179.58 3daf h LYS 107 N 0.66 0.98 -0.05 0.00 1.63 -0.73 -3.15 116.57 115.91 3daf h LYS 107 Ca 0.12 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.65 3daf h LYS 107 Cb 0.57 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 3daf h LYS 107 CO 0.03 0.89 -0.14 0.00 -3.45 0.00 0.00 179.45 176.78 3daf h ALA 108 N 1.05 1.68 -0.65 5.00 0.00 -0.43 -1.88 119.26 124.03 3daf h ALA 108 Ca 0.19 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.09 3daf h ALA 108 Cb 0.35 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3daf h ALA 108 CO 0.00 0.24 0.44 0.87 0.00 0.00 0.00 179.25 180.80 3daf h LYS 109 N 0.07 0.25 -0.31 0.00 1.57 -1.43 -2.71 116.57 114.00 3daf h LYS 109 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3daf h LYS 109 Cb 0.29 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3daf h LYS 109 CO 0.02 0.17 0.00 -0.85 -0.57 0.00 0.00 179.45 178.22 3daf n GLU 110 N -4.44 2.23 -4.94 3.15 0.28 -0.71 -4.97 120.64 111.24 3daf n GLU 110 Ca 0.12 -2.05 -0.28 0.00 -0.16 0.00 0.00 57.16 54.79 3daf n GLU 110 Cb 0.54 -1.42 -0.15 0.00 1.43 0.00 0.00 31.44 31.84 3daf n GLU 110 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3daf s LEU 111 N -1.31 2.10 0.86 -1.84 1.43 -1.02 -5.13 118.68 113.76 3daf s LEU 111 Ca 0.31 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 3daf s LEU 111 Cb 0.19 -1.13 0.11 0.00 0.03 0.00 0.00 46.19 45.39 3daf s LEU 111 CO 0.26 0.24 1.09 -2.16 0.23 0.00 0.00 176.35 176.01 3daf s PRO 112 N -0.84 1.58 0.72 1.29 0.04 -1.26 -4.93 135.00 131.60 3daf s PRO 112 Ca 0.09 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 61.99 3daf s PRO 112 Cb -0.09 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.64 3daf s PRO 112 CO 0.00 -2.06 1.07 0.15 0.04 0.00 0.00 177.00 176.21 3daf s LYS 113 N -4.91 2.68 0.55 4.56 1.02 -1.26 -3.55 119.74 118.83 3daf s LYS 113 Ca 0.63 1.03 -0.21 0.00 0.02 0.00 0.00 55.97 57.44 3daf s LYS 113 Cb -0.18 -1.96 -0.06 0.00 -0.52 0.00 0.00 37.83 35.12 3daf s LYS 113 CO 0.57 -1.30 1.08 -2.30 -0.92 0.00 0.00 175.35 172.48 3daf n PRO 114 N -3.28 1.21 -0.08 -1.68 -0.02 -0.97 -1.61 135.00 128.58 3daf n PRO 114 Ca 0.08 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3daf n PRO 114 Cb 0.53 -2.25 0.37 0.00 -0.02 0.00 0.00 33.50 32.13 3daf n PRO 114 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3daf n PRO 115 N -0.77 1.63 -0.14 0.52 -0.04 -1.26 -4.87 135.00 130.08 3daf n PRO 115 Ca 0.12 -0.95 -0.02 0.00 -0.04 0.00 0.00 63.50 62.61 3daf n PRO 115 Cb 0.45 -1.37 0.21 0.00 -0.04 0.00 0.00 33.50 32.75 3daf n PRO 115 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3daf h LYS 116 N 1.88 0.84 -3.16 0.54 1.57 -1.60 -3.28 116.57 113.37 3daf h LYS 116 Ca 0.00 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.46 3daf h LYS 116 Cb 0.41 -0.14 -0.27 0.00 0.08 0.00 0.00 32.23 32.31 3daf h LYS 116 CO 0.00 0.71 -0.48 0.00 -0.57 0.00 0.00 179.45 179.11 3daf s ALA 117 N -5.35 -0.53 -0.07 3.86 0.00 -1.18 -0.69 121.76 117.81 3daf s ALA 117 Ca -0.10 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3daf s ALA 117 Cb 0.16 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3daf s ALA 117 CO 0.79 -0.13 -0.16 0.00 0.00 0.00 0.00 175.76 176.26 3daf s ILE 119 N 0.51 5.09 0.25 0.00 1.01 -1.26 -0.74 121.20 126.06 3daf s ILE 119 Ca -0.15 0.84 0.07 0.00 0.00 0.00 0.00 60.65 61.41 3daf s ILE 119 Cb -0.16 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 3daf s ILE 119 CO 0.05 0.11 -0.09 -1.00 0.00 0.00 0.00 174.94 174.01 3daf s HIS 120 N 2.16 1.86 -1.07 3.97 3.76 0.07 -1.38 115.29 124.66 3daf s HIS 120 Ca 0.21 -0.65 0.18 0.00 -0.15 0.00 0.00 55.06 54.64 3daf s HIS 120 Cb -0.16 -0.99 -0.14 0.00 1.11 0.00 0.00 32.58 32.41 3daf s HIS 120 CO 0.09 0.31 0.80 1.28 -0.85 0.00 0.00 174.74 176.37 3daf n LEU 121 N -0.51 1.09 -3.73 0.89 4.77 -1.26 -0.77 117.00 117.49 3daf n LEU 121 Ca -0.06 -0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 55.21 3daf n LEU 121 Cb 0.62 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 3daf n LEU 121 CO 0.38 0.24 0.09 0.54 -1.33 0.00 0.00 177.39 177.31 3daf s VAL 122 N -2.51 0.01 0.26 4.08 0.11 -1.26 -4.57 120.40 116.52 3daf s VAL 122 Ca 0.09 -0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 3daf s VAL 122 Cb 0.14 -0.60 -0.10 0.00 -1.53 0.00 0.00 36.38 34.29 3daf s VAL 122 CO 0.65 -0.05 1.33 -1.00 -3.33 0.00 0.00 175.10 172.70 3daf s HIS 123 N -0.14 3.15 0.42 1.54 3.76 -1.26 -4.93 115.29 117.83 3daf s HIS 123 Ca -0.03 1.26 0.16 0.00 -0.15 0.00 0.00 55.06 56.30 3daf s HIS 123 Cb -0.03 -3.66 1.05 0.00 1.11 0.00 0.00 32.58 31.04 3daf s HIS 123 CO 0.02 -2.00 1.88 -1.35 -0.85 0.00 0.00 174.74 172.44 3daf h PRO 124 N 4.57 0.42 -0.03 8.40 0.11 -1.99 -1.02 132.00 142.46 3daf h PRO 124 Ca -0.46 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3daf h PRO 124 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3daf h PRO 124 CO 0.73 0.28 0.01 0.93 -0.21 0.00 0.00 178.00 179.73 3daf h GLU 125 N 0.43 0.04 0.00 1.05 5.08 -1.92 -1.75 114.58 117.51 3daf h GLU 125 Ca 0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3daf h GLU 125 Cb 1.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3daf h GLU 125 CO -0.16 0.04 0.00 -0.25 -1.00 0.00 0.00 179.01 177.64 3daf n ASP 126 N -4.52 0.06 -0.77 1.42 8.00 -0.39 -1.93 116.55 118.42 3daf n ASP 126 Ca -0.03 0.51 0.07 0.00 0.71 0.00 0.00 54.79 56.06 3daf n ASP 126 Cb 0.10 -0.53 0.22 0.00 -0.02 0.00 0.00 41.12 40.89 3daf n ASP 126 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3daf n VAL 127 N -1.56 1.80 0.00 2.53 0.24 -0.71 -4.93 118.33 115.69 3daf n VAL 127 Ca 0.05 -1.55 0.00 0.00 -2.04 0.00 0.00 64.34 60.79 3daf n VAL 127 Cb 0.23 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 3daf n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3daf n GLY 128 N -0.15 0.42 3.79 7.63 0.00 -0.81 -4.83 105.19 111.23 3daf n GLY 128 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3daf n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3daf s LEU 129 N 0.00 4.46 0.41 0.99 1.43 -0.87 -4.82 118.68 120.28 3daf s LEU 129 Ca 0.00 1.65 -0.21 0.00 -1.03 0.00 0.00 54.13 54.54 3daf s LEU 129 Cb 0.00 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.52 3daf s LEU 129 CO 0.00 0.08 0.93 -0.54 0.23 0.00 0.00 176.35 177.06 3daf s LYS 130 N -1.63 4.27 0.08 1.70 1.02 -0.15 -3.79 119.74 121.23 3daf s LYS 130 Ca 0.42 1.12 0.07 0.00 0.02 0.00 0.00 55.97 57.60 3daf s LYS 130 Cb -0.20 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 3daf s LYS 130 CO 0.24 0.03 -0.19 0.14 -0.92 0.00 0.00 175.35 174.65 3daf s VAL 131 N -2.08 1.58 0.11 3.17 -7.23 -1.26 -0.34 120.40 114.34 3daf s VAL 131 Ca 0.60 -1.38 -0.15 0.00 -1.81 0.00 0.00 61.98 59.23 3daf s VAL 131 Cb -0.10 -1.42 0.03 0.00 0.56 0.00 0.00 36.38 35.44 3daf s VAL 131 CO 0.15 -0.00 0.38 0.28 -0.31 0.00 0.00 175.10 175.59 3daf s THR 132 N -1.05 0.08 -2.18 5.32 -1.32 -0.46 -4.93 115.64 111.10 3daf s THR 132 Ca 0.05 -0.63 0.23 0.00 -1.21 0.00 0.00 61.69 60.14 3daf s THR 132 Cb -0.09 -1.16 0.05 0.00 -1.51 0.00 0.00 72.50 69.78 3daf s THR 132 CO 0.03 -0.35 1.15 -1.54 -2.21 0.00 0.00 174.62 171.71 3daf n SER 133 N -0.12 2.12 -4.32 8.08 3.41 -1.26 -1.85 113.62 119.67 3daf n SER 133 Ca -0.16 -1.56 -0.43 0.00 -0.26 0.00 0.00 58.87 56.46 3daf n SER 133 Cb 0.63 0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 64.88 3daf n SER 133 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3daf s ASP 134 N -2.40 5.96 0.44 4.04 -1.08 -1.26 -4.44 116.67 117.93 3daf s ASP 134 Ca 0.21 -1.52 0.10 0.00 -0.52 0.00 0.00 52.55 50.82 3daf s ASP 134 Cb 0.18 -2.11 0.97 0.00 -1.46 0.00 0.00 42.92 40.51 3daf s ASP 134 CO 0.52 -0.66 2.07 0.44 0.52 0.00 0.00 175.17 178.07 3daf h ASP 135 N 8.64 0.35 -0.43 -0.34 3.32 -1.94 -2.32 116.42 123.71 3daf h ASP 135 Ca -0.26 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 3daf h ASP 135 Cb 1.10 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 3daf h ASP 135 CO 0.87 0.25 0.12 0.03 -1.72 0.00 0.00 179.24 178.79 3daf h ARG 136 N 0.41 0.68 -0.98 3.56 3.08 -1.90 -1.94 114.38 117.30 3daf h ARG 136 Ca 0.14 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3daf h ARG 136 Cb 0.04 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 3daf h ARG 136 CO -0.03 0.67 0.65 1.49 -1.07 0.00 0.00 179.97 181.68 3daf h GLU 137 N 0.56 1.28 -0.07 0.04 4.81 -1.87 -2.52 114.58 116.81 3daf h GLU 137 Ca 0.14 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3daf h GLU 137 Cb 0.29 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 3daf h GLU 137 CO -0.00 0.85 0.04 0.00 -0.73 0.00 0.00 179.01 179.16 3daf h ALA 138 N 1.39 0.09 0.00 2.92 0.00 -1.14 -3.14 119.26 119.37 3daf h ALA 138 Ca 0.36 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3daf h ALA 138 Cb -0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3daf h ALA 138 CO -0.08 -0.37 -0.02 -0.39 0.00 0.00 0.00 179.25 178.39 3daf h VAL 139 N 0.01 0.05 -2.51 0.00 -1.51 -1.26 -3.42 116.25 107.60 3daf h VAL 139 Ca 0.02 -0.81 -0.53 0.00 -1.23 0.00 0.00 66.70 64.16 3daf h VAL 139 Cb 0.09 1.77 0.04 0.00 -2.13 0.00 0.00 31.29 31.07 3daf h VAL 139 CO -0.00 0.02 1.12 1.21 -1.23 0.00 0.00 177.57 178.69 3daf n GLU 140 N -3.11 2.82 -1.29 5.19 2.13 -0.96 -1.62 120.64 123.80 3daf n GLU 140 Ca 0.02 1.03 -0.10 0.00 0.66 0.00 0.00 57.16 58.77 3daf n GLU 140 Cb 0.43 -2.92 -0.04 0.00 0.27 0.00 0.00 31.44 29.17 3daf n GLU 140 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3daf n GLY 141 N 4.24 1.03 3.71 8.31 0.00 -1.26 -4.98 105.19 116.24 3daf n GLY 141 Ca 0.18 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3daf n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3daf s ALA 142 N -2.03 3.17 0.11 4.61 0.00 -0.64 -4.56 121.76 122.43 3daf s ALA 142 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.49 3daf s ALA 142 Cb 0.00 -3.32 -0.17 0.00 0.00 0.00 0.00 23.12 19.63 3daf s ALA 142 CO 0.00 -0.21 1.25 -0.44 0.00 0.00 0.00 175.76 176.36 3daf h ASP 143 N 6.71 0.29 -3.76 0.00 5.19 -1.33 -3.40 116.42 120.12 3daf h ASP 143 Ca -0.41 -0.28 -0.33 0.00 -0.62 0.00 0.00 57.03 55.38 3daf h ASP 143 Cb 1.22 -0.09 -0.30 0.00 0.18 0.00 0.00 39.33 40.33 3daf h ASP 143 CO 0.75 1.17 -0.75 -0.63 -3.12 0.00 0.00 179.24 176.65 3daf s ILE 144 N -2.87 0.36 -0.26 0.35 1.01 -1.19 -2.22 121.20 116.39 3daf s ILE 144 Ca -0.03 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.50 3daf s ILE 144 Cb 0.09 -0.35 0.05 0.00 0.01 0.00 0.00 42.46 42.26 3daf s ILE 144 CO 0.85 0.13 -0.10 -0.69 0.00 0.00 0.00 174.94 175.13 3daf s VAL 145 N 0.24 2.31 -0.33 2.92 1.01 1.00 -1.43 120.40 126.11 3daf s VAL 145 Ca -0.02 -1.50 -0.13 0.00 0.00 0.00 0.00 61.98 60.32 3daf s VAL 145 Cb -0.06 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3daf s VAL 145 CO -0.00 0.03 0.27 -0.63 0.00 0.00 0.00 175.10 174.76 3daf s ILE 146 N 1.15 5.26 -0.01 2.22 1.01 0.70 -0.67 121.20 130.86 3daf s ILE 146 Ca -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.46 3daf s ILE 146 Cb -0.19 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3daf s ILE 146 CO -0.05 -0.00 0.18 0.42 0.00 0.00 0.00 174.94 175.48 3daf s THR 147 N 1.81 5.40 -0.41 2.92 -4.23 -0.27 -0.20 115.64 120.65 3daf s THR 147 Ca 0.08 -0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.50 3daf s THR 147 Cb -0.17 -3.52 0.28 0.00 1.34 0.00 0.00 72.50 70.43 3daf s THR 147 CO 0.11 0.33 0.70 1.87 -0.54 0.00 0.00 174.62 177.08 3daf n TRP 148 N 0.95 -1.08 -4.13 3.99 -0.00 0.89 -3.62 117.44 114.43 3daf n TRP 148 Ca -0.11 -3.12 -0.22 0.00 -0.00 0.00 0.00 57.50 54.05 3daf n TRP 148 Cb 0.53 0.20 -0.05 0.00 -0.00 0.00 0.00 31.31 31.99 3daf n TRP 148 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3daf s LEU 149 N -1.46 3.54 0.67 5.87 1.43 -1.26 -4.26 118.68 123.22 3daf s LEU 149 Ca 0.34 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 52.82 3daf s LEU 149 Cb 0.23 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3daf s LEU 149 CO -0.13 -0.10 1.21 -2.84 0.23 0.00 0.00 176.35 174.72 3daf s PRO 150 N -3.81 2.53 0.02 1.29 0.02 -1.26 -4.72 135.00 129.07 3daf s PRO 150 Ca 0.34 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.85 3daf s PRO 150 Cb -0.07 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.51 3daf s PRO 150 CO 0.23 -1.54 1.50 0.21 -0.33 0.00 0.00 177.00 177.07 3daf s LYS 151 N -3.67 4.25 0.00 5.54 2.20 -1.26 -4.60 119.74 122.20 3daf s LYS 151 Ca 0.76 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 58.47 3daf s LYS 151 Cb -0.30 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 3daf s LYS 151 CO 0.40 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 3daf n GLY 152 N 3.79 0.40 0.05 5.54 0.00 -1.26 -4.57 105.19 109.14 3daf n GLY 152 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 3daf n GLY 152 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3daf n ASN 153 N 0.00 0.17 0.13 1.61 6.94 -1.26 -2.75 115.26 120.10 3daf n ASN 153 Ca 0.00 -0.64 0.03 0.00 -0.02 0.00 0.00 54.58 53.95 3daf n ASN 153 Cb 0.00 -0.12 0.02 0.00 -2.36 0.00 0.00 39.78 37.32 3daf n ASN 153 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3daf h LYS 154 N 0.23 0.00 -0.37 -3.83 1.79 -1.84 -3.40 116.57 109.14 3daf h LYS 154 Ca 0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 3daf h LYS 154 Cb 0.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3daf h LYS 154 CO 0.00 0.47 -0.36 1.96 -1.08 0.00 0.00 179.45 180.44 3daf h GLN 155 N 0.00 0.87 -0.62 3.15 4.20 -1.77 -2.91 115.11 118.03 3daf h GLN 155 Ca -0.02 -0.44 0.12 0.00 0.06 0.00 0.00 58.65 58.37 3daf h GLN 155 Cb 1.39 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 29.09 3daf h GLN 155 CO 0.06 1.09 0.15 -1.35 -0.67 0.00 0.00 178.83 178.11 3daf h PRO 156 N 0.72 0.28 -0.03 1.46 0.11 -1.78 0.78 132.00 133.54 3daf h PRO 156 Ca 0.07 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.04 3daf h PRO 156 Cb 0.93 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3daf h PRO 156 CO 0.09 0.18 -0.53 -0.44 -0.21 0.00 0.00 178.00 177.09 3daf h ASP 157 N 0.29 0.08 -0.10 -2.05 3.32 -1.83 -0.14 116.42 115.97 3daf h ASP 157 Ca 0.33 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 3daf h ASP 157 Cb 0.49 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3daf h ASP 157 CO -0.40 0.59 -0.06 0.40 -1.72 0.00 0.00 179.24 178.05 3daf h ILE 158 N 0.05 1.33 -0.22 0.35 2.04 -1.21 -3.30 117.51 116.55 3daf h ILE 158 Ca -0.00 -1.13 -0.14 0.00 1.00 0.00 0.00 64.86 64.59 3daf h ILE 158 Cb 0.96 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 3daf h ILE 158 CO 0.07 0.32 -0.46 0.40 0.00 0.00 0.00 178.15 178.49 3daf h ILE 159 N -0.15 1.31 -0.05 -0.67 2.04 -0.77 -2.92 117.51 116.30 3daf h ILE 159 Ca 0.02 -1.65 0.01 0.00 1.00 0.00 0.00 64.86 64.24 3daf h ILE 159 Cb 0.54 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3daf h ILE 159 CO 0.02 0.52 0.05 0.07 0.00 0.00 0.00 178.15 178.80 3daf h LYS 160 N 0.45 0.00 0.00 2.37 2.10 -1.10 -0.35 116.57 120.04 3daf h LYS 160 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3daf h LYS 160 Cb 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 3daf h LYS 160 CO 0.09 0.00 0.00 0.87 -2.00 0.00 0.00 179.45 178.41 3daf h LYS 161 N 0.00 0.00 0.00 0.07 1.57 -1.59 -3.37 116.57 113.25 3daf h LYS 161 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3daf h LYS 161 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3daf h LYS 161 CO -0.00 0.00 -0.01 1.97 -0.57 0.00 0.00 179.45 180.84 3daf n PHE 162 N -2.91 0.00 -0.25 -1.35 1.16 -0.79 -4.87 117.46 108.45 3daf n PHE 162 Ca 0.03 0.00 0.16 0.00 -1.87 0.00 0.00 57.45 55.77 3daf n PHE 162 Cb 0.41 0.00 0.46 0.00 -1.61 0.00 0.00 39.48 38.74 3daf n PHE 162 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3daf h ALA 163 N 0.00 2.04 0.00 1.98 0.00 -1.25 -0.52 119.26 121.51 3daf h ALA 163 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3daf h ALA 163 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3daf h ALA 163 CO 0.00 -0.32 0.00 0.38 0.00 0.00 0.00 179.25 179.31 3daf h ASP 164 N 0.52 0.00 0.59 0.00 3.04 -1.86 -3.03 116.42 115.68 3daf h ASP 164 Ca 0.46 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.25 3daf h ASP 164 Cb 0.99 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.28 3daf h ASP 164 CO -0.20 0.00 -0.53 0.00 -2.04 0.00 0.00 179.24 176.47 3daf n ALA 165 N -1.97 3.37 -2.27 4.15 0.00 -0.21 -4.90 120.51 118.69 3daf n ALA 165 Ca 0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 3daf n ALA 165 Cb 0.30 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 3daf n ALA 165 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3daf s ILE 166 N -3.04 3.87 0.37 0.00 1.01 -1.15 -4.22 121.20 118.04 3daf s ILE 166 Ca 0.10 1.43 -0.26 0.00 0.00 0.00 0.00 60.65 61.91 3daf s ILE 166 Cb 0.17 -3.91 -0.12 0.00 0.01 0.00 0.00 42.46 38.61 3daf s ILE 166 CO 0.70 0.16 1.09 -2.65 0.00 0.00 0.00 174.94 174.25 3daf n PRO 167 N 3.34 1.57 -1.62 2.79 -0.02 -1.26 -4.86 135.00 134.94 3daf n PRO 167 Ca 0.07 0.56 -0.51 0.00 -2.02 0.00 0.00 63.50 61.60 3daf n PRO 167 Cb 0.46 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 3daf n PRO 167 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3daf n GLU 168 N 0.37 1.42 -0.93 -0.52 2.13 -1.26 -1.83 120.64 120.02 3daf n GLU 168 Ca 0.08 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.41 3daf n GLU 168 Cb 0.37 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 29.88 3daf n GLU 168 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3daf n GLY 169 N 2.95 0.37 3.60 8.31 0.00 -1.26 -5.01 105.19 114.16 3daf n GLY 169 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3daf n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3daf n ALA 170 N 1.00 -0.78 -2.69 4.61 0.00 -0.76 -4.28 120.51 117.61 3daf n ALA 170 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 3daf n ALA 170 Cb 0.15 -2.09 -0.04 0.00 0.00 0.00 0.00 19.45 17.46 3daf n ALA 170 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3daf s ILE 171 N -2.16 4.92 -0.09 0.00 1.01 -0.94 -1.46 121.20 122.48 3daf s ILE 171 Ca 0.69 1.63 0.02 0.00 0.00 0.00 0.00 60.65 62.99 3daf s ILE 171 Cb -0.29 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.06 3daf s ILE 171 CO 0.55 0.09 -0.13 -0.69 0.00 0.00 0.00 174.94 174.76 3daf s VAL 172 N 1.71 1.30 0.19 2.92 1.01 -0.27 -0.00 120.40 127.25 3daf s VAL 172 Ca 0.40 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.92 3daf s VAL 172 Cb -0.17 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3daf s VAL 172 CO 0.15 0.40 -0.19 0.42 0.00 0.00 0.00 175.10 175.88 3daf s THR 173 N 0.85 1.97 0.27 3.92 -4.23 0.15 -1.58 115.64 116.99 3daf s THR 173 Ca -0.10 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 58.43 3daf s THR 173 Cb -0.15 -1.98 -0.06 0.00 1.34 0.00 0.00 72.50 71.66 3daf s THR 173 CO 0.01 -0.34 -0.06 -1.38 -0.54 0.00 0.00 174.62 172.31 3daf s HIS 174 N -2.19 1.89 0.00 3.99 -3.43 -1.05 -1.11 115.29 113.39 3daf s HIS 174 Ca 0.19 -0.71 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 3daf s HIS 174 Cb -0.05 -1.06 0.00 0.00 -1.43 0.00 0.00 32.58 30.04 3daf s HIS 174 CO 0.08 0.26 0.00 0.00 -2.00 0.00 0.00 174.74 173.08 3daf n ALA 175 N -0.55 0.00 0.71 -1.38 0.00 -1.24 -1.04 120.51 117.01 3daf n ALA 175 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.48 3daf n ALA 175 Cb 0.63 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.52 3daf n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3daf n THR 177 N -1.53 0.12 -3.66 0.00 -2.24 -1.26 -4.83 114.28 100.88 3daf n THR 177 Ca 0.05 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.40 3daf n THR 177 Cb 0.25 0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 68.77 3daf n THR 177 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3daf s ILE 178 N -1.88 0.00 0.51 2.28 2.07 -1.24 -4.38 121.20 118.56 3daf s ILE 178 Ca 0.35 -0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.37 3daf s ILE 178 Cb 0.19 -0.83 -0.07 0.00 0.13 0.00 0.00 42.46 41.87 3daf s ILE 178 CO 0.29 -0.01 1.06 -2.84 -1.91 0.00 0.00 174.94 171.53 3daf s PRO 179 N 0.11 3.66 0.26 3.50 0.02 -1.26 -4.75 135.00 136.53 3daf s PRO 179 Ca -0.02 1.40 -0.03 0.00 0.02 0.00 0.00 61.00 62.38 3daf s PRO 179 Cb -0.04 -2.07 0.44 0.00 0.02 0.00 0.00 34.50 32.86 3daf s PRO 179 CO 0.02 -0.55 1.82 1.15 -0.33 0.00 0.00 177.00 179.10 3daf h THR 180 N 1.38 0.91 -0.34 0.99 2.02 -1.94 -1.49 112.91 114.44 3daf h THR 180 Ca -0.49 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 66.41 3daf h THR 180 Cb 1.23 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3daf h THR 180 CO 0.58 0.16 0.18 0.74 0.37 0.00 0.00 175.52 177.55 3daf h THR 181 N 0.85 1.01 -0.44 3.16 2.02 -1.93 0.65 112.91 118.23 3daf h THR 181 Ca 0.43 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.46 3daf h THR 181 Cb 0.40 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3daf h THR 181 CO -0.25 0.07 0.18 0.50 0.37 0.00 0.00 175.52 176.39 3daf h LYS 182 N 0.37 0.66 0.15 6.66 3.64 -1.83 -1.76 116.57 124.45 3daf h LYS 182 Ca 0.14 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3daf h LYS 182 Cb 0.03 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3daf h LYS 182 CO -0.08 0.59 -0.11 0.35 -2.27 0.00 0.00 179.45 177.93 3daf h PHE 183 N 0.57 -0.28 -0.78 1.91 3.57 -1.00 -2.17 116.94 118.76 3daf h PHE 183 Ca 0.15 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.74 3daf h PHE 183 Cb 0.18 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 3daf h PHE 183 CO -0.00 -0.17 0.43 0.00 -2.23 0.00 0.00 178.31 176.34 3daf h ALA 184 N 0.57 1.11 -0.73 2.41 0.00 -0.84 -2.56 119.26 119.22 3daf h ALA 184 Ca -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3daf h ALA 184 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3daf h ALA 184 CO -0.00 0.04 0.26 -0.22 0.00 0.00 0.00 179.25 179.32 3daf h LYS 185 N 0.72 1.11 -0.32 0.00 1.63 -0.97 -2.04 116.57 116.70 3daf h LYS 185 Ca 0.38 -0.22 0.07 0.00 -0.85 0.00 0.00 60.65 60.03 3daf h LYS 185 Cb 0.37 -0.17 -0.07 0.00 -0.60 0.00 0.00 32.23 31.77 3daf h LYS 185 CO -0.26 0.92 -0.11 0.82 -3.45 0.00 0.00 179.45 177.38 3daf h ILE 186 N 1.07 0.61 -0.44 2.00 2.04 -0.98 -0.09 117.51 121.72 3daf h ILE 186 Ca 0.24 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.01 3daf h ILE 186 Cb 0.26 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3daf h ILE 186 CO -0.01 0.00 -0.09 -0.26 0.00 0.00 0.00 178.15 177.78 3daf h PHE 187 N -0.05 0.86 -0.57 1.37 0.04 -1.40 -2.12 116.94 115.08 3daf h PHE 187 Ca 0.16 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3daf h PHE 187 Cb 0.29 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 3daf h PHE 187 CO -0.32 0.84 0.32 -0.22 -0.60 0.00 0.00 178.31 178.33 3daf h LYS 188 N 0.72 0.79 0.00 1.51 3.64 -0.94 0.41 116.57 122.69 3daf h LYS 188 Ca 0.12 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3daf h LYS 188 Cb 0.57 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3daf h LYS 188 CO 0.04 0.59 -0.11 -0.44 -2.27 0.00 0.00 179.45 177.25 3daf h ASP 189 N 0.77 0.00 -0.42 4.20 3.32 -0.67 -1.84 116.42 121.78 3daf h ASP 189 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3daf h ASP 189 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3daf h ASP 189 CO -0.03 0.11 0.00 0.18 -1.72 0.00 0.00 179.24 177.78 3daf n LEU 190 N -4.28 2.22 -1.38 1.55 4.77 -0.83 -4.92 117.00 114.14 3daf n LEU 190 Ca -0.03 -1.11 -0.11 0.00 -0.03 0.00 0.00 56.01 54.73 3daf n LEU 190 Cb 0.19 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3daf n LEU 190 CO 0.34 0.55 -0.11 0.61 -1.33 0.00 0.00 177.39 177.46 3daf n GLY 191 N 1.16 -0.05 2.49 -0.72 0.00 -0.69 -4.95 105.19 102.43 3daf n GLY 191 Ca 0.14 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 3daf n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3daf n ARG 192 N -2.17 3.38 0.30 1.61 5.12 0.08 -4.77 116.66 120.20 3daf n ARG 192 Ca -0.11 -4.41 0.20 0.00 -1.93 0.00 0.00 57.85 51.60 3daf n ARG 192 Cb 0.59 -2.25 0.94 0.00 -1.16 0.00 0.00 32.46 30.58 3daf n ARG 192 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3daf h GLU 193 N 2.59 0.00 0.00 5.56 5.08 -1.84 -2.61 114.58 123.36 3daf h GLU 193 Ca 0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 3daf h GLU 193 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3daf h GLU 193 CO 0.90 0.00 -0.10 0.38 -1.00 0.00 0.00 179.01 179.19 3daf h ASP 194 N 0.00 0.00 -3.95 1.42 2.03 -1.95 -3.45 116.42 110.52 3daf h ASP 194 Ca 0.00 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.81 3daf h ASP 194 Cb 0.24 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.76 3daf h ASP 194 CO 0.00 0.10 0.44 -0.76 -1.03 0.00 0.00 179.24 177.99 3daf s LEU 195 N -7.61 4.18 -0.64 0.15 1.43 -0.98 -4.00 118.68 111.21 3daf s LEU 195 Ca -0.04 2.15 -0.22 0.00 -1.03 0.00 0.00 54.13 54.98 3daf s LEU 195 Cb 0.14 -4.10 0.07 0.00 0.03 0.00 0.00 46.19 42.32 3daf s LEU 195 CO 0.59 -0.54 0.94 0.20 0.23 0.00 0.00 176.35 177.78 3daf s ASN 196 N -1.40 6.20 -0.15 2.29 0.01 -0.54 -4.85 114.94 116.51 3daf s ASN 196 Ca 0.57 -0.92 -0.15 0.00 -0.71 0.00 0.00 52.86 51.65 3daf s ASN 196 Cb -0.25 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 3daf s ASN 196 CO 0.32 -1.38 0.36 -0.63 -1.51 0.00 0.00 177.10 174.26 3daf s ILE 197 N 3.94 5.26 0.00 0.60 -1.09 -0.58 -1.12 121.20 128.21 3daf s ILE 197 Ca 0.23 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 3daf s ILE 197 Cb -0.17 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 3daf s ILE 197 CO 0.11 0.36 0.00 1.07 -1.23 0.00 0.00 174.94 175.25 3daf n THR 198 N 3.66 0.00 -4.38 2.92 5.66 -0.62 -2.96 114.28 118.57 3daf n THR 198 Ca -0.10 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.63 3daf n THR 198 Cb 0.52 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.17 3daf n THR 198 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3daf s SER 199 N 0.14 3.18 -0.47 1.09 1.04 -1.26 -2.52 113.70 114.91 3daf s SER 199 Ca 0.00 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 55.72 3daf s SER 199 Cb 0.00 -0.21 0.25 0.00 0.10 0.00 0.00 66.02 66.15 3daf s SER 199 CO 0.00 0.13 0.58 0.00 0.98 0.00 0.00 173.24 174.93 3daf n TYR 200 N 0.70 0.93 -3.81 5.02 9.36 -0.20 -4.20 117.16 124.96 3daf n TYR 200 Ca -0.16 -3.75 -0.35 0.00 3.32 0.00 0.00 57.90 56.95 3daf n TYR 200 Cb 0.54 -0.40 -0.09 0.00 -0.63 0.00 0.00 39.34 38.76 3daf n TYR 200 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3daf s HIS 201 N -1.55 3.30 -0.69 2.98 2.46 -0.80 -4.53 115.29 116.46 3daf s HIS 201 Ca 0.36 0.16 0.26 0.00 0.47 0.00 0.00 55.06 56.30 3daf s HIS 201 Cb 0.16 -2.17 0.69 0.00 -0.13 0.00 0.00 32.58 31.13 3daf s HIS 201 CO -0.08 0.13 1.68 -1.00 -2.47 0.00 0.00 174.74 173.00 3daf h PRO 202 N 7.05 0.00 -2.69 2.88 0.13 -1.88 0.30 132.00 137.79 3daf h PRO 202 Ca -0.38 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.49 3daf h PRO 202 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 3daf h PRO 202 CO 0.69 0.00 -0.28 0.41 -0.23 0.00 0.00 178.00 178.59 3daf n GLY 203 N 1.30 0.29 2.18 1.56 0.00 -1.26 -4.62 105.19 104.64 3daf n GLY 203 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 3daf n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3daf s VAL 205 N -2.05 4.90 0.41 0.00 -7.23 -1.26 -4.96 120.40 110.20 3daf s VAL 205 Ca 0.17 1.55 0.12 0.00 -1.81 0.00 0.00 61.98 62.00 3daf s VAL 205 Cb -0.00 -4.08 0.32 0.00 0.56 0.00 0.00 36.38 33.18 3daf s VAL 205 CO -0.01 0.30 1.96 -0.65 -0.31 0.00 0.00 175.10 176.39 3daf h PRO 206 N 6.25 0.50 0.00 4.82 0.11 -1.85 -0.56 132.00 141.27 3daf h PRO 206 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3daf h PRO 206 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3daf h PRO 206 CO 0.73 0.33 0.00 1.05 -0.21 0.00 0.00 178.00 179.91 3daf h GLU 207 N 0.52 0.00 0.06 1.05 9.09 -1.85 -3.26 114.58 120.19 3daf h GLU 207 Ca 0.31 0.00 -0.36 0.00 0.05 0.00 0.00 59.36 59.36 3daf h GLU 207 Cb 0.53 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.60 3daf h GLU 207 CO -0.10 0.00 -2.06 -0.12 0.05 0.00 0.00 179.01 176.78 3daf n MET 208 N -2.60 0.68 -4.62 1.06 0.00 -0.23 -1.13 117.12 110.28 3daf n MET 208 Ca -0.00 0.29 -0.23 0.00 0.00 0.00 0.00 57.70 57.76 3daf n MET 208 Cb 0.17 -1.64 -0.15 0.00 0.00 0.00 0.00 33.22 31.60 3daf n MET 208 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3daf s LYS 209 N -2.51 1.19 -0.79 2.12 1.02 -1.18 -2.86 119.74 116.72 3daf s LYS 209 Ca -0.29 -0.64 -0.20 0.00 0.02 0.00 0.00 55.97 54.87 3daf s LYS 209 Cb 0.08 -1.17 0.11 0.00 -0.52 0.00 0.00 37.83 36.32 3daf s LYS 209 CO 0.67 0.31 1.01 0.20 -0.92 0.00 0.00 175.35 176.62 3daf s GLY 210 N -0.62 1.73 -0.11 -3.33 0.00 -1.26 -4.69 107.32 99.04 3daf s GLY 210 Ca 0.05 -2.39 -0.30 0.00 0.00 0.00 0.00 44.72 42.08 3daf s GLY 210 CO 0.00 1.97 0.88 -0.86 0.00 0.00 0.00 173.10 175.09 3daf s GLN 211 N 3.12 0.77 -0.07 2.90 -2.07 -1.10 -3.56 119.66 119.66 3daf s GLN 211 Ca 0.26 0.16 -0.12 0.00 -1.82 0.00 0.00 55.36 53.83 3daf s GLN 211 Cb -0.11 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.19 3daf s GLN 211 CO -0.01 -0.25 0.30 0.54 -1.32 0.00 0.00 175.29 174.56 3daf s VAL 212 N -1.26 0.03 -0.16 3.63 0.11 -0.70 -4.57 120.40 117.48 3daf s VAL 212 Ca -0.04 -0.24 -0.00 0.00 -2.93 0.00 0.00 61.98 58.76 3daf s VAL 212 Cb -0.00 -0.51 -0.00 0.00 -1.53 0.00 0.00 36.38 34.33 3daf s VAL 212 CO 0.04 -0.13 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.22 3daf s TYR 213 N -0.55 2.80 -0.23 1.54 1.51 0.10 -0.92 117.35 121.61 3daf s TYR 213 Ca -0.07 -1.07 0.02 0.00 -1.01 0.00 0.00 57.07 54.94 3daf s TYR 213 Cb -0.04 -1.91 0.05 0.00 -0.11 0.00 0.00 41.96 39.95 3daf s TYR 213 CO 0.02 -0.50 -0.12 0.42 -1.11 0.00 0.00 175.55 174.26 3daf s ILE 214 N 0.91 1.98 0.17 2.71 1.01 0.11 -1.91 121.20 126.19 3daf s ILE 214 Ca -0.03 -1.33 -0.30 0.00 0.00 0.00 0.00 60.65 58.99 3daf s ILE 214 Cb -0.15 -2.04 -0.08 0.00 0.01 0.00 0.00 42.46 40.21 3daf s ILE 214 CO -0.01 0.13 1.21 0.00 0.00 0.00 0.00 174.94 176.26 3daf s ALA 215 N 1.23 3.44 0.05 9.38 0.00 -1.26 -1.90 121.76 132.71 3daf s ALA 215 Ca -0.04 0.95 0.01 0.00 0.00 0.00 0.00 51.96 52.88 3daf s ALA 215 Cb -0.18 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3daf s ALA 215 CO -0.07 -0.40 0.16 -1.21 0.00 0.00 0.00 175.76 174.23 3daf s GLU 216 N 0.01 3.24 0.00 0.00 2.02 0.92 -4.41 118.70 120.48 3daf s GLU 216 Ca 0.54 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.03 3daf s GLU 216 Cb -0.33 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 30.97 3daf s GLU 216 CO 0.35 0.61 0.00 0.41 0.02 0.00 0.00 175.26 176.65 3daf n GLY 217 N 0.47 1.98 0.01 -1.39 0.00 -1.26 -1.21 105.19 103.79 3daf n GLY 217 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.96 3daf n GLY 217 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3daf n TYR 218 N 0.00 0.00 -4.06 1.61 4.01 -1.26 -5.02 117.16 112.45 3daf n TYR 218 Ca 0.00 -0.57 -0.07 0.00 -0.16 0.00 0.00 57.90 57.10 3daf n TYR 218 Cb 0.00 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 38.87 3daf n TYR 218 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3daf s ALA 219 N -1.29 0.40 0.66 -0.72 0.00 -1.15 -1.52 121.76 118.14 3daf s ALA 219 Ca 0.05 -1.12 -0.16 0.00 0.00 0.00 0.00 51.96 50.74 3daf s ALA 219 Cb 0.05 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.47 3daf s ALA 219 CO 0.01 -0.39 1.18 -1.54 0.00 0.00 0.00 175.76 175.02 3daf s SER 220 N -2.89 4.81 0.36 0.00 1.04 -1.26 -4.82 113.70 110.95 3daf s SER 220 Ca 0.06 2.26 0.09 0.00 0.48 0.00 0.00 55.95 58.84 3daf s SER 220 Cb 0.07 -2.58 0.82 0.00 0.10 0.00 0.00 66.02 64.43 3daf s SER 220 CO -0.10 -1.84 1.89 -0.08 0.98 0.00 0.00 173.24 174.09 3daf h GLU 221 N 0.22 0.67 -0.26 4.02 4.81 -2.01 -0.81 114.58 121.23 3daf h GLU 221 Ca -0.48 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 3daf h GLU 221 Cb 1.28 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3daf h GLU 221 CO 0.53 0.44 0.04 1.05 -0.73 0.00 0.00 179.01 180.34 3daf h GLU 222 N 0.69 0.43 -0.20 1.92 9.09 -1.99 -0.68 114.58 123.84 3daf h GLU 222 Ca 0.41 -0.12 -0.00 0.00 0.05 0.00 0.00 59.36 59.70 3daf h GLU 222 Cb 0.62 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.66 3daf h GLU 222 CO -0.17 0.55 0.11 0.00 0.05 0.00 0.00 179.01 179.55 3daf h ALA 223 N 0.85 0.25 -0.44 1.06 0.00 -1.83 -0.53 119.26 118.62 3daf h ALA 223 Ca 0.08 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3daf h ALA 223 Cb 0.34 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3daf h ALA 223 CO 0.01 -0.22 0.17 0.28 0.00 0.00 0.00 179.25 179.49 3daf h VAL 224 N 0.22 0.89 -0.76 0.00 2.07 -1.13 -1.41 116.25 116.13 3daf h VAL 224 Ca 0.07 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3daf h VAL 224 Cb 0.06 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3daf h VAL 224 CO -0.01 0.06 0.29 0.78 0.02 0.00 0.00 177.57 178.71 3daf h ASN 225 N 0.35 1.07 -0.30 0.57 4.21 -0.97 0.23 115.58 120.74 3daf h ASN 225 Ca 0.20 -0.18 0.05 0.00 1.21 0.00 0.00 56.30 57.58 3daf h ASN 225 Cb 0.18 -0.28 -0.05 0.00 -1.12 0.00 0.00 38.32 37.05 3daf h ASN 225 CO -0.19 0.96 -0.01 0.50 -1.29 0.00 0.00 177.43 177.40 3daf h LYS 226 N 1.11 0.08 -0.44 0.81 3.64 -0.69 -1.14 116.57 119.95 3daf h LYS 226 Ca 0.25 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 3daf h LYS 226 Cb 0.24 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3daf h LYS 226 CO -0.02 0.05 -0.00 1.25 -2.27 0.00 0.00 179.45 178.46 3daf h LEU 227 N 0.08 0.76 -0.35 5.20 6.46 -1.05 -2.13 115.31 124.29 3daf h LEU 227 Ca 0.14 -0.31 0.06 0.00 -0.12 0.00 0.00 57.88 57.66 3daf h LEU 227 Cb 0.20 -0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 39.86 3daf h LEU 227 CO -0.25 0.89 -0.01 0.22 -0.62 0.00 0.00 178.44 178.67 3daf h TYR 228 N 0.62 -0.04 -0.93 1.25 3.20 -0.74 0.31 116.97 120.63 3daf h TYR 228 Ca 0.12 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 3daf h TYR 228 Cb 0.50 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 3daf h TYR 228 CO 0.04 -0.08 0.57 0.93 -1.64 0.00 0.00 178.16 177.98 3daf h GLU 229 N 0.08 1.26 -0.26 1.82 4.39 -1.13 -0.66 114.58 120.08 3daf h GLU 229 Ca 0.17 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 3daf h GLU 229 Cb 0.24 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3daf h GLU 229 CO -0.29 0.87 0.01 0.82 -1.16 0.00 0.00 179.01 179.26 3daf h ILE 230 N 1.28 1.25 -0.73 3.13 2.04 -0.95 -3.07 117.51 120.47 3daf h ILE 230 Ca 0.33 -0.89 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 3daf h ILE 230 Cb -0.07 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3daf h ILE 230 CO -0.06 0.28 0.26 1.23 0.00 0.00 0.00 178.15 179.85 3daf h GLY 231 N 0.23 1.18 0.86 5.37 0.00 -0.22 0.69 103.07 111.18 3daf h GLY 231 Ca 0.07 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 46.78 3daf h GLY 231 CO 0.01 0.62 0.48 0.50 0.00 0.00 0.00 176.54 178.16 3daf h LYS 232 N 1.07 0.91 0.04 4.80 1.57 -1.09 0.12 116.57 124.00 3daf h LYS 232 Ca 0.24 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3daf h LYS 232 Cb 0.25 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3daf h LYS 232 CO -0.01 0.60 -0.02 0.82 -0.57 0.00 0.00 179.45 180.27 3daf h ILE 233 N 0.94 1.34 -0.40 1.86 2.04 -1.31 -1.78 117.51 120.20 3daf h ILE 233 Ca 0.31 -1.47 -0.08 0.00 1.00 0.00 0.00 64.86 64.61 3daf h ILE 233 Cb 0.03 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 3daf h ILE 233 CO -0.12 0.36 -0.07 0.00 0.00 0.00 0.00 178.15 178.32 3daf h ALA 234 N 0.13 0.55 0.00 1.87 0.00 -0.82 -3.34 119.26 117.65 3daf h ALA 234 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3daf h ALA 234 Cb 0.63 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3daf h ALA 234 CO 0.01 0.40 -1.75 0.54 0.00 0.00 0.00 179.25 178.45 3daf n ARG 235 N -4.36 0.55 0.00 0.00 5.12 0.43 -4.79 116.66 113.61 3daf n ARG 235 Ca -0.01 -0.15 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 3daf n ARG 235 Cb 0.34 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 3daf n ARG 235 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3daf n GLY 236 N 1.34 2.61 2.98 -0.13 0.00 -0.67 -2.70 105.19 108.62 3daf n GLY 236 Ca -0.02 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 3daf n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3daf s LYS 237 N 0.00 0.15 0.00 1.61 1.02 -1.23 -4.88 119.74 116.41 3daf s LYS 237 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.02 3daf s LYS 237 Cb 0.00 0.07 -0.00 0.00 -0.52 0.00 0.00 37.83 37.37 3daf s LYS 237 CO 0.00 -0.02 -0.01 0.00 -0.92 0.00 0.00 175.35 174.39 3daf s ALA 238 N -0.19 0.09 -0.09 5.17 0.00 -1.26 -1.71 121.76 123.77 3daf s ALA 238 Ca -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 51.81 3daf s ALA 238 Cb -0.02 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.12 3daf s ALA 238 CO 0.00 -0.01 -0.18 -0.06 0.00 0.00 0.00 175.76 175.51 3daf s PHE 239 N -0.31 2.06 -0.12 0.00 0.40 -0.09 -4.96 117.98 114.95 3daf s PHE 239 Ca -0.03 -0.87 -0.06 0.00 -0.60 0.00 0.00 56.93 55.37 3daf s PHE 239 Cb -0.02 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 3daf s PHE 239 CO -0.00 -0.40 0.08 0.15 0.70 0.00 0.00 175.22 175.75 3daf s LYS 240 N 0.65 3.44 0.15 0.44 1.02 -1.26 0.05 119.74 124.22 3daf s LYS 240 Ca -0.13 -0.26 -0.19 0.00 0.02 0.00 0.00 55.97 55.40 3daf s LYS 240 Cb -0.16 -3.08 0.05 0.00 -0.52 0.00 0.00 37.83 34.12 3daf s LYS 240 CO 0.04 0.64 0.50 0.00 -0.92 0.00 0.00 175.35 175.61 3daf s MET 241 N -0.65 1.20 0.26 1.68 0.23 -0.80 -4.95 119.30 116.27 3daf s MET 241 Ca 0.12 -0.61 -0.29 0.00 -1.03 0.00 0.00 55.69 53.87 3daf s MET 241 Cb -0.12 0.53 -0.14 0.00 -1.53 0.00 0.00 34.83 33.57 3daf s MET 241 CO 0.02 -0.50 1.10 -2.30 -2.03 0.00 0.00 175.02 171.31 3daf n PRO 242 N -0.31 1.43 -0.31 3.16 -0.02 -1.26 -0.05 135.00 137.64 3daf n PRO 242 Ca -0.16 0.50 0.15 0.00 -2.02 0.00 0.00 63.50 61.98 3daf n PRO 242 Cb 0.64 -1.94 0.40 0.00 -0.02 0.00 0.00 33.50 32.58 3daf n PRO 242 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3daf h ALA 243 N 2.54 1.89 0.00 3.55 0.00 -1.48 -0.08 119.26 125.69 3daf h ALA 243 Ca -0.41 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3daf h ALA 243 Cb 1.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3daf h ALA 243 CO 0.64 -0.23 0.00 0.27 0.00 0.00 0.00 179.25 179.94 3daf n ASN 244 N -4.65 0.34 0.00 0.00 0.23 -1.26 -2.11 115.26 107.81 3daf n ASN 244 Ca 0.22 0.63 0.10 0.00 -0.53 0.00 0.00 54.58 55.00 3daf n ASN 244 Cb 0.62 -0.68 -0.06 0.00 -2.08 0.00 0.00 39.78 37.57 3daf n ASN 244 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3daf n LEU 245 N -1.93 0.88 0.11 -4.53 4.77 -0.04 -4.47 117.00 111.78 3daf n LEU 245 Ca 0.00 -0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 55.47 3daf n LEU 245 Cb 0.09 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 3daf n LEU 245 CO 0.10 0.22 0.77 0.40 -1.33 0.00 0.00 177.39 177.54 3daf h ILE 246 N 0.00 0.67 0.33 -0.08 1.08 -1.47 -1.49 117.51 116.56 3daf h ILE 246 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3daf h ILE 246 Cb 0.53 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 3daf h ILE 246 CO 0.00 0.00 -0.43 1.23 -0.69 0.00 0.00 178.15 178.26 3daf h GLY 247 N -0.31 -1.00 -0.13 5.37 0.00 -1.80 0.20 103.07 105.41 3daf h GLY 247 Ca 0.01 0.51 0.26 0.00 0.00 0.00 0.00 47.33 48.10 3daf h GLY 247 CO -0.05 -0.32 0.64 -2.55 0.00 0.00 0.00 176.54 174.26 3daf h PRO 248 N -0.81 0.47 0.18 4.80 0.11 -1.76 0.11 132.00 135.10 3daf h PRO 248 Ca -0.02 -0.03 -0.34 0.00 0.11 0.00 0.00 66.00 65.71 3daf h PRO 248 Cb 0.75 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.77 3daf h PRO 248 CO -0.12 0.31 -1.70 0.28 -0.21 0.00 0.00 178.00 176.55 3daf h VAL 249 N 0.48 0.99 0.00 3.15 2.07 -0.90 -3.09 116.25 118.95 3daf h VAL 249 Ca 0.61 -2.57 -0.31 0.00 0.82 0.00 0.00 66.70 65.25 3daf h VAL 249 Cb 1.38 2.79 -0.06 0.00 -1.52 0.00 0.00 31.29 33.87 3daf h VAL 249 CO -0.37 0.85 -2.22 0.00 0.02 0.00 0.00 177.57 175.85 3daf s ASP 251 N -5.17 1.48 0.10 0.00 1.01 0.34 -4.86 116.67 109.57 3daf s ASP 251 Ca -0.09 0.43 0.18 0.00 0.71 0.00 0.00 52.55 53.78 3daf s ASP 251 Cb 0.06 -0.54 0.76 0.00 1.01 0.00 0.00 42.92 44.21 3daf s ASP 251 CO 0.75 -3.76 1.56 1.15 0.21 0.00 0.00 175.17 175.08 3daf n MET 252 N -4.48 0.08 0.00 8.23 0.00 -1.26 -1.09 117.12 118.59 3daf n MET 252 Ca 0.15 0.32 0.06 0.00 0.00 0.00 0.00 57.70 58.23 3daf n MET 252 Cb 0.60 -1.65 0.33 0.00 0.00 0.00 0.00 33.22 32.50 3daf n MET 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3daf h SER 254 N 0.00 0.15 -0.48 0.00 4.64 -1.02 -0.53 113.55 116.31 3daf h SER 254 Ca 0.00 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 3daf h SER 254 Cb 0.12 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3daf h SER 254 CO 0.00 0.01 0.04 0.00 -0.87 0.00 0.00 176.83 176.01 3daf h ALA 255 N 1.46 0.64 0.07 5.18 0.00 -1.84 0.00 119.26 124.79 3daf h ALA 255 Ca 0.62 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3daf h ALA 255 Cb 2.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3daf h ALA 255 CO -0.13 0.41 -0.04 0.28 0.00 0.00 0.00 179.25 179.77 3daf h VAL 256 N 0.68 1.20 -0.52 0.00 2.07 -1.43 -2.03 116.25 116.21 3daf h VAL 256 Ca 0.14 -1.10 0.11 0.00 0.82 0.00 0.00 66.70 66.66 3daf h VAL 256 Cb 0.45 1.90 -0.10 0.00 -1.52 0.00 0.00 31.29 32.01 3daf h VAL 256 CO 0.02 0.27 -0.19 0.74 0.02 0.00 0.00 177.57 178.42 3daf h THR 257 N -0.61 0.38 -0.71 2.57 2.02 -1.13 -0.24 112.91 115.19 3daf h THR 257 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3daf h THR 257 Cb 0.51 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 3daf h THR 257 CO 0.02 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.27 3daf h ALA 258 N 1.36 0.91 -0.12 6.16 0.00 -0.98 -0.70 119.26 125.89 3daf h ALA 258 Ca 0.25 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3daf h ALA 258 Cb 0.45 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3daf h ALA 258 CO -0.57 0.46 -0.12 1.15 0.00 0.00 0.00 179.25 180.17 3daf h THR 259 N 0.99 1.35 -0.12 0.00 2.02 -0.75 -0.94 112.91 115.46 3daf h THR 259 Ca 0.25 -1.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 3daf h THR 259 Cb 0.09 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3daf h THR 259 CO -0.03 0.37 0.05 0.58 0.37 0.00 0.00 175.52 176.85 3daf h VAL 260 N -0.09 1.15 -0.63 3.16 2.07 -1.05 -0.87 116.25 120.00 3daf h VAL 260 Ca 0.02 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3daf h VAL 260 Cb 0.64 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3daf h VAL 260 CO 0.03 0.13 0.35 0.22 0.02 0.00 0.00 177.57 178.32 3daf h TYR 261 N 0.04 0.85 -0.50 1.57 3.20 -1.14 -0.12 116.97 120.87 3daf h TYR 261 Ca 0.04 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.92 3daf h TYR 261 Cb 0.17 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.13 3daf h TYR 261 CO -0.02 0.61 0.29 0.00 -1.64 0.00 0.00 178.16 177.40 3daf h ALA 262 N 1.17 0.64 -0.38 1.82 0.00 -1.07 -0.10 119.26 121.33 3daf h ALA 262 Ca 0.22 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3daf h ALA 262 Cb 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3daf h ALA 262 CO -0.04 -0.03 0.07 0.78 0.00 0.00 0.00 179.25 180.04 3daf h GLY 263 N 0.57 0.44 0.85 0.00 0.00 -0.68 -0.37 103.07 103.88 3daf h GLY 263 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 3daf h GLY 263 CO -0.10 -0.04 0.05 1.41 0.00 0.00 0.00 176.54 177.86 3daf h LEU 264 N 0.19 0.28 -0.44 3.11 3.38 -0.67 -0.38 115.31 120.78 3daf h LEU 264 Ca 0.18 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3daf h LEU 264 Cb 0.22 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3daf h LEU 264 CO -0.25 0.43 0.29 -0.07 0.09 0.00 0.00 178.44 178.93 3daf h LEU 265 N 0.12 0.52 -0.55 1.67 3.38 -0.90 0.13 115.31 119.68 3daf h LEU 265 Ca 0.06 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3daf h LEU 265 Cb 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3daf h LEU 265 CO -0.00 0.39 -0.22 0.00 0.09 0.00 0.00 178.44 178.70 3daf h ALA 266 N 1.15 0.74 0.02 1.53 0.00 -1.05 -1.07 119.26 120.57 3daf h ALA 266 Ca 0.16 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3daf h ALA 266 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3daf h ALA 266 CO -0.03 0.67 -0.01 -0.92 0.00 0.00 0.00 179.25 178.95 3daf h TYR 267 N 0.81 -0.03 -0.41 0.00 3.20 -0.95 -1.10 116.97 118.49 3daf h TYR 267 Ca 0.11 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.06 3daf h TYR 267 Cb 0.78 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.98 3daf h TYR 267 CO 0.05 0.17 -0.13 -0.09 -1.64 0.00 0.00 178.16 176.52 3daf h ARG 268 N -0.22 -0.03 -0.30 1.82 2.43 -0.65 0.53 114.38 117.95 3daf h ARG 268 Ca -0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3daf h ARG 268 Cb 0.21 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3daf h ARG 268 CO 0.00 -0.02 -0.18 -0.44 -1.51 0.00 0.00 179.97 177.82 3daf h ASP 269 N -0.04 0.54 -0.28 -3.80 5.19 -1.07 -0.31 116.42 116.66 3daf h ASP 269 Ca 0.20 -0.16 -0.09 0.00 -0.62 0.00 0.00 57.03 56.36 3daf h ASP 269 Cb 0.34 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 3daf h ASP 269 CO -0.44 0.73 -0.17 0.00 -3.12 0.00 0.00 179.24 176.24 3daf h ALA 270 N 1.32 0.39 -0.21 3.45 0.00 -0.57 0.89 119.26 124.54 3daf h ALA 270 Ca 0.08 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3daf h ALA 270 Cb 0.59 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3daf h ALA 270 CO 0.04 0.31 -0.23 0.28 0.00 0.00 0.00 179.25 179.65 3daf h VAL 271 N 0.34 1.33 0.11 0.00 2.07 -0.77 -1.88 116.25 117.44 3daf h VAL 271 Ca 0.06 -1.41 -0.14 0.00 0.82 0.00 0.00 66.70 66.03 3daf h VAL 271 Cb 0.71 1.76 0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3daf h VAL 271 CO 0.05 0.43 -0.62 0.71 0.02 0.00 0.00 177.57 178.16 3daf h THR 272 N 0.20 1.58 0.17 2.57 1.35 -1.06 -1.16 112.91 116.55 3daf h THR 272 Ca 0.03 -2.49 -0.26 0.00 -0.55 0.00 0.00 66.41 63.14 3daf h THR 272 Cb 0.79 3.25 0.02 0.00 -1.73 0.00 0.00 68.15 70.47 3daf h THR 272 CO 0.06 0.69 -1.23 0.11 -0.25 0.00 0.00 175.52 174.90 3daf h LYS 273 N -0.53 0.35 0.02 4.72 1.57 -0.95 -2.53 116.57 119.22 3daf h LYS 273 Ca -0.11 -0.60 -0.19 0.00 -1.87 0.00 0.00 60.65 57.88 3daf h LYS 273 Cb 1.48 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 34.00 3daf h LYS 273 CO 0.11 1.29 -1.02 0.82 -0.57 0.00 0.00 179.45 180.08 3daf h ILE 274 N -0.19 1.12 0.00 1.86 1.08 -1.49 -3.37 117.51 116.52 3daf h ILE 274 Ca -0.23 -2.25 0.00 0.00 -0.39 0.00 0.00 64.86 61.99 3daf h ILE 274 Cb 1.84 2.55 0.00 0.00 -3.07 0.00 0.00 36.82 38.15 3daf h ILE 274 CO 0.16 0.45 -0.41 0.18 -0.69 0.00 0.00 178.15 177.83 3daf n LEU 275 N -4.38 0.49 -1.09 1.44 4.77 -0.75 -4.95 117.00 112.54 3daf n LEU 275 Ca -0.26 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 55.79 3daf n LEU 275 Cb 0.68 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3daf n LEU 275 CO 0.26 0.02 -0.13 0.61 -1.33 0.00 0.00 177.39 176.82 3daf n GLY 276 N 1.43 1.34 3.89 -0.72 0.00 -0.81 -4.96 105.19 105.36 3daf n GLY 276 Ca 0.05 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 3daf n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3daf s ALA 277 N -2.52 3.35 0.63 4.61 0.00 -0.51 -4.96 121.76 122.36 3daf s ALA 277 Ca 0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 3daf s ALA 277 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 3daf s ALA 277 CO 0.00 -0.33 1.23 -2.14 0.00 0.00 0.00 175.76 174.53 3daf s PRO 278 N -4.61 2.72 0.31 0.00 0.02 -1.26 -4.11 135.00 128.06 3daf s PRO 278 Ca 0.49 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.40 3daf s PRO 278 Cb -0.10 -1.89 0.53 0.00 0.02 0.00 0.00 34.50 33.06 3daf s PRO 278 CO 0.43 -1.42 1.93 0.00 -0.33 0.00 0.00 177.00 177.62 3daf h ALA 279 N 0.59 1.51 -0.66 -1.55 0.00 -1.96 -1.88 119.26 115.30 3daf h ALA 279 Ca -0.50 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.46 3daf h ALA 279 Cb 1.31 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3daf h ALA 279 CO 0.54 0.39 0.44 -0.44 0.00 0.00 0.00 179.25 180.17 3daf h ASP 280 N 1.02 0.51 -0.18 0.00 3.32 -1.99 0.11 116.42 119.21 3daf h ASP 280 Ca 0.35 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 3daf h ASP 280 Cb 0.11 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3daf h ASP 280 CO -0.12 0.31 -0.07 0.15 -1.72 0.00 0.00 179.24 177.80 3daf h PHE 281 N 0.57 0.42 -0.47 4.55 3.57 -1.71 -0.38 116.94 123.49 3daf h PHE 281 Ca 0.30 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.76 3daf h PHE 281 Cb 0.42 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 3daf h PHE 281 CO -0.00 0.65 0.17 0.00 -2.23 0.00 0.00 178.31 176.90 3daf h ALA 282 N 0.70 0.57 -0.31 2.41 0.00 -1.10 -2.05 119.26 119.48 3daf h ALA 282 Ca 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3daf h ALA 282 Cb 0.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3daf h ALA 282 CO 0.02 -0.22 0.15 0.37 0.00 0.00 0.00 179.25 179.57 3daf h GLN 283 N 0.35 0.45 -0.35 0.00 4.15 -0.61 0.53 115.11 119.63 3daf h GLN 283 Ca 0.22 -0.07 0.06 0.00 0.77 0.00 0.00 58.65 59.63 3daf h GLN 283 Cb 0.22 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 3daf h GLN 283 CO -0.22 0.42 0.02 1.98 -1.93 0.00 0.00 178.83 179.10 3daf h MET 284 N 0.37 0.11 -0.06 1.69 4.05 -0.87 0.17 114.93 120.39 3daf h MET 284 Ca 0.11 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 3daf h MET 284 Cb 0.12 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 3daf h MET 284 CO -0.01 0.08 0.04 0.52 0.23 0.00 0.00 176.91 177.76 3daf h MET 285 N 0.12 0.09 -0.61 0.39 2.86 -1.21 -2.82 114.93 113.75 3daf h MET 285 Ca 0.17 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.74 3daf h MET 285 Cb 0.23 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3daf h MET 285 CO -0.27 0.13 0.15 0.00 1.06 0.00 0.00 176.91 177.98 3daf h ALA 286 N 0.95 1.12 -0.30 6.32 0.00 -0.47 -2.57 119.26 124.32 3daf h ALA 286 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3daf h ALA 286 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3daf h ALA 286 CO -0.00 0.59 0.13 0.22 0.00 0.00 0.00 179.25 180.19 3daf h ASP 287 N 0.91 0.40 -0.29 0.00 1.82 -0.63 -0.35 116.42 118.28 3daf h ASP 287 Ca 0.20 -0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 3daf h ASP 287 Cb 0.32 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 3daf h ASP 287 CO -0.00 0.43 0.11 -0.08 -1.61 0.00 0.00 179.24 178.09 3daf h GLU 288 N 0.34 0.44 -0.30 0.28 4.57 -1.34 -0.28 114.58 118.30 3daf h GLU 288 Ca 0.10 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 3daf h GLU 288 Cb 0.15 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.60 3daf h GLU 288 CO -0.01 0.48 -0.16 0.00 -1.18 0.00 0.00 179.01 178.14 3daf h ALA 289 N 0.94 0.07 -0.36 2.92 0.00 -1.26 -1.21 119.26 120.36 3daf h ALA 289 Ca 0.10 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3daf h ALA 289 Cb 0.21 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3daf h ALA 289 CO -0.01 -0.55 0.07 1.25 0.00 0.00 0.00 179.25 180.01 3daf h LEU 290 N -0.12 0.57 -0.38 0.00 5.85 -0.86 -1.06 115.31 119.32 3daf h LEU 290 Ca 0.16 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3daf h LEU 290 Cb 0.35 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3daf h LEU 290 CO -0.37 0.67 0.16 0.74 -0.34 0.00 0.00 178.44 179.30 3daf h THR 291 N 0.44 0.93 0.01 1.05 2.02 -0.92 -0.84 112.91 115.59 3daf h THR 291 Ca 0.11 -0.12 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 3daf h THR 291 Cb 0.34 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3daf h THR 291 CO 0.01 0.06 -0.91 1.56 0.37 0.00 0.00 175.52 176.61 3daf h GLN 292 N 0.34 0.27 -0.30 6.66 1.08 -0.97 -0.45 115.11 121.73 3daf h GLN 292 Ca 0.17 -0.30 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 3daf h GLN 292 Cb 0.11 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 3daf h GLN 292 CO -0.14 1.01 -0.05 0.82 -0.95 0.00 0.00 178.83 179.52 3daf h ILE 293 N 0.15 1.27 -0.26 2.54 1.08 -1.10 0.11 117.51 121.31 3daf h ILE 293 Ca -0.06 -1.06 0.06 0.00 -0.39 0.00 0.00 64.86 63.41 3daf h ILE 293 Cb 1.55 1.36 -0.05 0.00 -3.07 0.00 0.00 36.82 36.61 3daf h ILE 293 CO 0.15 0.34 -0.10 -0.74 -0.69 0.00 0.00 178.15 177.11 3daf h HIS 294 N 0.33 -0.22 -0.83 1.37 2.76 -1.09 -1.28 115.15 116.19 3daf h HIS 294 Ca 0.08 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.39 3daf h HIS 294 Cb 0.52 0.14 -0.08 0.00 1.55 0.00 0.00 27.41 29.54 3daf h HIS 294 CO 0.05 -0.15 0.46 -0.91 -1.30 0.00 0.00 177.93 176.07 3daf h ASN 295 N -0.05 0.63 -0.31 3.26 2.35 -0.94 -0.36 115.58 120.15 3daf h ASN 295 Ca 0.13 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3daf h ASN 295 Cb 0.25 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 3daf h ASN 295 CO -0.29 0.33 0.18 0.25 -1.65 0.00 0.00 177.43 176.25 3daf h LEU 296 N 0.74 0.30 -0.19 1.61 5.85 -0.31 0.98 115.31 124.29 3daf h LEU 296 Ca 0.42 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.12 3daf h LEU 296 Cb 0.46 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3daf h LEU 296 CO -0.28 0.22 0.03 -0.03 -0.34 0.00 0.00 178.44 178.03 3daf h MET 297 N 0.38 0.31 -0.37 1.25 4.05 -0.66 -0.84 114.93 119.05 3daf h MET 297 Ca 0.12 -0.08 0.03 0.00 -0.28 0.00 0.00 59.70 59.48 3daf h MET 297 Cb -0.00 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 3daf h MET 297 CO -0.06 0.47 0.19 0.87 0.23 0.00 0.00 176.91 178.62 3daf h LYS 298 N 0.10 0.38 -0.25 0.39 1.57 -0.89 0.12 116.57 117.99 3daf h LYS 298 Ca 0.06 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3daf h LYS 298 Cb 0.31 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3daf h LYS 298 CO 0.00 0.25 -0.31 0.93 -0.57 0.00 0.00 179.45 179.76 3daf h GLU 299 N 0.39 0.65 0.00 3.15 4.39 -0.73 -3.33 114.58 119.10 3daf h GLU 299 Ca 0.16 -0.36 -0.08 0.00 0.34 0.00 0.00 59.36 59.41 3daf h GLU 299 Cb 0.05 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3daf h GLU 299 CO -0.10 0.97 -1.26 1.63 -1.16 0.00 0.00 179.01 179.09 3daf n LYS 300 N -4.28 0.62 -0.24 2.33 4.76 -0.33 -5.09 118.16 115.92 3daf n LYS 300 Ca -0.05 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3daf n LYS 300 Cb 0.48 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 3daf n LYS 300 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3daf n GLY 301 N 1.29 -3.07 0.35 0.72 0.00 0.42 -4.37 105.19 100.54 3daf n GLY 301 Ca -0.05 -1.19 0.09 0.00 0.00 0.00 0.00 46.02 44.87 3daf n GLY 301 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3daf h ILE 302 N 0.10 0.95 0.00 -0.61 2.10 -1.90 -1.35 117.51 116.79 3daf h ILE 302 Ca 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.73 3daf h ILE 302 Cb 0.10 0.29 0.00 0.00 -1.09 0.00 0.00 36.82 36.12 3daf h ILE 302 CO 0.00 0.11 0.00 0.00 -1.08 0.00 0.00 178.15 177.18 3daf h ALA 303 N 1.64 1.00 0.00 0.18 0.00 -1.94 -3.32 119.26 116.82 3daf h ALA 303 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3daf h ALA 303 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3daf h ALA 303 CO -0.10 0.00 -0.01 0.09 0.00 0.00 0.00 179.25 179.22 3daf n ASN 304 N -2.89 1.68 -0.35 0.00 4.13 -0.52 -4.76 115.26 112.54 3daf n ASN 304 Ca -0.01 -1.96 0.05 0.00 1.68 0.00 0.00 54.58 54.34 3daf n ASN 304 Cb 0.19 -0.05 0.20 0.00 -1.54 0.00 0.00 39.78 38.59 3daf n ASN 304 CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 3daf h MET 305 N 0.00 1.00 0.00 3.52 2.86 -1.64 -2.25 114.93 118.42 3daf h MET 305 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3daf h MET 305 Cb 0.65 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3daf h MET 305 CO 0.00 0.66 0.00 0.93 1.06 0.00 0.00 176.91 179.56 3daf h GLU 306 N 1.03 0.00 -0.01 1.72 3.07 -1.86 -0.72 114.58 117.81 3daf h GLU 306 Ca 0.46 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.22 3daf h GLU 306 Cb 0.35 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 3daf h GLU 306 CO -0.23 0.00 -0.45 0.93 -1.40 0.00 0.00 179.01 177.86 3daf h GLU 307 N 0.00 0.02 0.05 2.33 5.08 -1.78 -3.20 114.58 117.08 3daf h GLU 307 Ca 0.00 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 3daf h GLU 307 Cb 0.07 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3daf h GLU 307 CO 0.00 0.47 -2.20 0.00 -1.00 0.00 0.00 179.01 176.28 3daf n ALA 308 N -2.45 1.14 -3.87 3.43 0.00 -0.59 -4.84 120.51 113.33 3daf n ALA 308 Ca -0.02 -0.86 -0.30 0.00 0.00 0.00 0.00 53.44 52.27 3daf n ALA 308 Cb 0.48 -0.33 -0.15 0.00 0.00 0.00 0.00 19.45 19.44 3daf n ALA 308 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3daf s LEU 309 N -6.95 2.98 -0.01 0.00 2.96 -0.38 -5.09 118.68 112.18 3daf s LEU 309 Ca -0.30 -1.62 -0.30 0.00 -0.22 0.00 0.00 54.13 51.69 3daf s LEU 309 Cb 0.08 -1.15 -0.08 0.00 0.50 0.00 0.00 46.19 45.55 3daf s LEU 309 CO 0.65 -0.35 1.99 -0.62 -1.32 0.00 0.00 176.35 176.70 3daf s ASP 310 N 1.37 6.30 0.56 3.68 -1.08 -1.21 -4.12 116.67 122.17 3daf s ASP 310 Ca 0.05 2.52 0.30 0.00 -0.52 0.00 0.00 52.55 54.90 3daf s ASP 310 Cb -0.18 -2.53 1.46 0.00 -1.46 0.00 0.00 42.92 40.22 3daf s ASP 310 CO -0.15 -1.20 1.89 -0.65 0.52 0.00 0.00 175.17 175.59 3daf h PRO 311 N 11.28 0.00 0.00 4.34 0.11 -1.86 0.68 132.00 146.55 3daf h PRO 311 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3daf h PRO 311 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3daf h PRO 311 CO 0.95 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.71 3daf h ALA 312 N 1.52 1.36 -0.64 -0.75 0.00 -1.86 -2.55 119.26 116.34 3daf h ALA 312 Ca 0.33 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.31 3daf h ALA 312 Cb 1.47 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 3daf h ALA 312 CO -0.00 0.04 0.43 0.00 0.00 0.00 0.00 179.25 179.71 3daf h ALA 313 N 1.97 1.94 0.00 0.00 0.00 -1.23 -1.90 119.26 120.04 3daf h ALA 313 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3daf h ALA 313 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3daf h ALA 313 CO 0.00 -0.07 0.00 -0.07 0.00 0.00 0.00 179.25 179.11 3daf h LEU 314 N 0.50 0.00 -1.60 0.00 3.38 -1.63 -3.30 115.31 112.66 3daf h LEU 314 Ca 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 3daf h LEU 314 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3daf h LEU 314 CO -0.09 0.00 -0.21 -0.07 0.09 0.00 0.00 178.44 178.16 3daf h LEU 315 N 0.00 0.00 -2.42 1.67 3.38 -1.50 -1.26 115.31 115.19 3daf h LEU 315 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3daf h LEU 315 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3daf h LEU 315 CO 0.00 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.35 3daf n GLY 316 N -0.92 1.89 1.00 0.83 0.00 -1.24 -3.88 105.19 102.87 3daf n GLY 316 Ca -0.02 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 3daf n GLY 316 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3daf n THR 317 N 1.45 0.58 0.32 2.61 -2.24 -1.02 -4.76 114.28 111.21 3daf n THR 317 Ca 0.20 0.17 0.15 0.00 -2.27 0.00 0.00 64.05 62.30 3daf n THR 317 Cb 0.59 -1.55 0.62 0.00 -2.10 0.00 0.00 70.33 67.89 3daf n THR 317 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3daf h ALA 318 N -0.02 1.00 -0.92 6.98 0.00 -1.47 -2.93 119.26 121.89 3daf h ALA 318 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.06 3daf h ALA 318 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 3daf h ALA 318 CO -0.01 0.00 0.59 0.38 0.00 0.00 0.00 179.25 180.21 3daf h ASP 319 N 0.00 0.63 0.71 0.00 2.03 -1.71 -1.51 116.42 116.56 3daf h ASP 319 Ca 0.00 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 3daf h ASP 319 Cb 0.46 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 3daf h ASP 319 CO 0.00 0.29 0.00 0.77 -1.03 0.00 0.00 179.24 179.27 3daf h SER 320 N 0.65 0.00 -0.33 4.15 4.64 -1.85 -2.34 113.55 118.47 3daf h SER 320 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3daf h SER 320 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3daf h SER 320 CO -0.23 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.96 3daf n MET 321 N -2.40 2.14 -1.62 4.77 2.81 -0.57 -4.75 117.12 117.50 3daf n MET 321 Ca 0.01 -1.74 -0.41 0.00 -1.81 0.00 0.00 57.70 53.76 3daf n MET 321 Cb 0.22 -1.44 -0.01 0.00 -0.71 0.00 0.00 33.22 31.28 3daf n MET 321 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3daf s PHE 323 N 2.86 0.63 0.00 0.00 -0.12 -1.26 -4.60 117.98 115.49 3daf s PHE 323 Ca 0.53 -1.11 0.00 0.00 -0.05 0.00 0.00 56.93 56.30 3daf s PHE 323 Cb 0.15 -0.41 0.00 0.00 -0.63 0.00 0.00 43.02 42.13 3daf s PHE 323 CO -0.08 -0.44 0.00 0.41 -0.05 0.00 0.00 175.22 175.06 3daf n GLY 324 N 0.03 2.92 0.34 1.99 0.00 -1.26 -0.94 105.19 108.28 3daf n GLY 324 Ca -0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.09 3daf n GLY 324 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3daf h PRO 325 N 0.00 0.00 0.00 1.61 0.11 -1.91 -1.18 132.00 130.62 3daf h PRO 325 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3daf h PRO 325 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3daf h PRO 325 CO 0.00 0.00 -0.55 1.28 -0.21 0.00 0.00 178.00 178.52 3daf n LEU 326 N -3.20 0.54 0.20 2.35 4.77 -0.11 -4.49 117.00 117.06 3daf n LEU 326 Ca -0.01 0.08 0.18 0.00 -0.03 0.00 0.00 56.01 56.24 3daf n LEU 326 Cb 0.32 -0.23 0.82 0.00 -2.33 0.00 0.00 43.42 42.00 3daf n LEU 326 CO 0.19 0.07 1.16 0.00 -1.33 0.00 0.00 177.39 177.47 3daf h ALA 327 N 2.84 1.76 0.00 -1.18 0.00 -1.02 -0.94 119.26 120.72 3daf h ALA 327 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.53 3daf h ALA 327 Cb 0.58 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 3daf h ALA 327 CO 0.00 -0.43 -2.17 0.39 0.00 0.00 0.00 179.25 177.04 3daf n GLU 328 N -3.50 0.58 -0.20 0.00 1.02 -1.26 -4.49 120.64 112.79 3daf n GLU 328 Ca 0.03 0.29 -0.09 0.00 -0.02 0.00 0.00 57.16 57.36 3daf n GLU 328 Cb 0.44 -1.51 0.02 0.00 -0.02 0.00 0.00 31.44 30.37 3daf n GLU 328 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3daf h ILE 329 N -1.00 1.26 -0.04 -3.67 2.10 -1.81 -3.07 117.51 111.29 3daf h ILE 329 Ca -0.56 -1.12 -0.01 0.00 1.08 0.00 0.00 64.86 64.25 3daf h ILE 329 Cb 1.48 0.84 -0.00 0.00 -1.09 0.00 0.00 36.82 38.05 3daf h ILE 329 CO -0.34 0.41 -0.01 0.25 -1.08 0.00 0.00 178.15 177.37 3daf h LEU 330 N 0.91 0.08 -1.27 2.19 6.46 -1.44 -0.88 115.31 121.34 3daf h LEU 330 Ca 0.16 -0.40 0.12 0.00 -0.12 0.00 0.00 57.88 57.65 3daf h LEU 330 Cb 0.54 -0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.38 3daf h LEU 330 CO 0.03 0.45 0.56 -0.65 -0.62 0.00 0.00 178.44 178.22 3daf h PRO 331 N -0.30 0.72 -0.63 5.25 0.11 -1.75 0.60 132.00 136.00 3daf h PRO 331 Ca 0.01 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 3daf h PRO 331 Cb 0.42 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 3daf h PRO 331 CO 0.00 0.48 0.12 1.15 -0.21 0.00 0.00 178.00 179.54 3daf h THR 332 N 0.75 1.26 -0.67 -1.15 2.02 -1.37 -0.97 112.91 112.78 3daf h THR 332 Ca 0.43 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.58 3daf h THR 332 Cb 0.60 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 3daf h THR 332 CO -0.19 0.37 0.25 0.00 0.37 0.00 0.00 175.52 176.32 3daf h ALA 333 N 1.04 0.87 -0.25 6.16 0.00 0.05 -1.85 119.26 125.27 3daf h ALA 333 Ca 0.19 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3daf h ALA 333 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3daf h ALA 333 CO 0.01 0.50 -0.25 -0.07 0.00 0.00 0.00 179.25 179.45 3daf h LEU 334 N 0.95 0.49 -0.36 0.00 3.38 -0.52 0.12 115.31 119.36 3daf h LEU 334 Ca 0.22 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3daf h LEU 334 Cb 0.23 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3daf h LEU 334 CO -0.01 0.73 0.21 0.50 0.09 0.00 0.00 178.44 179.96 3daf h LYS 335 N 0.43 0.49 -0.17 1.13 3.64 -0.84 0.52 116.57 121.77 3daf h LYS 335 Ca 0.06 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3daf h LYS 335 Cb 0.66 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 3daf h LYS 335 CO 0.05 0.38 -0.15 0.28 -2.27 0.00 0.00 179.45 177.74 3daf h VAL 336 N 0.46 0.58 -0.47 2.00 2.07 -0.74 -2.20 116.25 117.95 3daf h VAL 336 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3daf h VAL 336 Cb 0.02 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3daf h VAL 336 CO -0.02 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.73 3daf h LEU 337 N -0.17 0.32 -1.00 2.57 3.38 -0.74 -2.34 115.31 117.32 3daf h LEU 337 Ca 0.11 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.18 3daf h LEU 337 Cb 0.33 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3daf h LEU 337 CO -0.27 0.23 0.64 -0.08 0.09 0.00 0.00 178.44 179.05 3daf h GLU 338 N 0.45 1.12 0.00 1.13 4.22 -0.70 -0.72 114.58 120.08 3daf h GLU 338 Ca 0.21 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.56 3daf h GLU 338 Cb 0.13 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3daf h GLU 338 CO -0.16 0.74 -0.12 0.28 -2.18 0.00 0.00 179.01 177.57 3daf h VAL 339 N 1.15 0.60 -0.61 0.32 2.07 -0.88 -2.33 116.25 116.57 3daf h VAL 339 Ca 0.44 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3daf h VAL 339 Cb 0.20 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3daf h VAL 339 CO -0.18 0.12 0.00 1.41 0.02 0.00 0.00 177.57 178.94 3daf n HIS 340 N -3.69 1.36 -1.71 1.57 8.25 -0.32 -5.00 115.22 115.68 3daf n HIS 340 Ca -0.02 -0.61 -0.43 0.00 -0.26 0.00 0.00 57.72 56.40 3daf n HIS 340 Cb 0.24 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 3daf n HIS 340 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3daf n LYS 341 N 1.02 2.24 -1.82 -0.41 2.85 -0.88 -4.47 118.16 116.69 3daf n LYS 341 Ca 0.25 0.79 -0.42 0.00 -1.05 0.00 0.00 58.31 57.87 3daf n LYS 341 Cb 0.85 -2.42 -0.03 0.00 -0.65 0.00 0.00 35.03 32.78 3daf n LYS 341 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3daf s VAL 342 N -0.81 2.41 -0.25 0.58 1.01 -1.26 -5.00 120.40 117.08 3daf s VAL 342 Ca 0.58 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.73 3daf s VAL 342 Cb -0.56 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3daf s VAL 342 CO 0.59 0.01 0.02 0.54 0.00 0.00 0.00 175.10 176.26 3daf s VAL 343 N 1.53 3.78 -2.50 2.92 0.11 -1.26 -5.05 120.40 119.93 3daf s VAL 343 Ca 0.74 -0.47 0.28 0.00 -2.93 0.00 0.00 61.98 59.60 3daf s VAL 343 Cb -0.46 -2.80 0.55 0.00 -1.53 0.00 0.00 36.38 32.14 3daf s VAL 343 CO 0.32 0.31 1.75 -0.62 -3.33 0.00 0.00 175.10 173.53