#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2psf h ARG 11 N 0.00 0.24 -0.97 2.61 2.47 -2.00 -3.14 114.38 113.59 2psf h ARG 11 Ca 0.00 -0.40 0.12 0.00 -1.26 0.00 0.00 59.98 58.44 2psf h ARG 11 Cb 0.00 0.15 -0.08 0.00 -1.65 0.00 0.00 29.97 28.39 2psf h ARG 11 CO 0.00 1.19 0.60 0.87 0.56 0.00 0.00 179.97 183.19 2psf h LYS 12 N -0.50 0.90 -0.05 0.04 1.57 -2.08 -2.32 116.57 114.13 2psf h LYS 12 Ca -0.11 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2psf h LYS 12 Cb 1.51 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2psf h LYS 12 CO 0.12 0.60 0.00 2.89 -0.57 0.00 0.00 179.45 182.49 2psf n ARG 13 N -4.66 1.86 -1.83 3.15 0.00 -1.26 -4.97 116.66 108.96 2psf n ARG 13 Ca 0.18 -1.26 -0.40 0.00 -0.00 0.00 0.00 57.85 56.37 2psf n ARG 13 Cb 0.36 -1.47 0.01 0.00 -0.00 0.00 0.00 32.46 31.36 2psf n ARG 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 2psf s MET 14 N -1.96 3.82 -0.25 2.89 1.75 -0.88 -5.01 119.30 119.67 2psf s MET 14 Ca 0.35 2.43 -0.01 0.00 -1.25 0.00 0.00 55.69 57.21 2psf s MET 14 Cb 0.20 -2.74 0.03 0.00 2.84 0.00 0.00 34.83 35.16 2psf s MET 14 CO 0.32 -0.71 -0.08 0.42 -0.65 0.00 0.00 175.02 174.32 2psf s ILE 15 N -1.19 2.66 0.85 10.11 1.01 -1.26 -5.07 121.20 128.31 2psf s ILE 15 Ca 0.58 -1.15 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 2psf s ILE 15 Cb -0.44 -2.38 0.10 0.00 0.01 0.00 0.00 42.46 39.75 2psf s ILE 15 CO 0.57 0.17 1.12 0.42 0.00 0.00 0.00 174.94 177.22 2psf s THR 16 N 1.28 2.57 0.12 2.92 -4.23 -1.26 -4.84 115.64 112.20 2psf s THR 16 Ca -0.01 0.19 -0.31 0.00 -1.18 0.00 0.00 61.69 60.37 2psf s THR 16 Cb -0.17 -2.95 -0.09 0.00 1.34 0.00 0.00 72.50 70.63 2psf s THR 16 CO -0.05 -0.24 1.58 1.23 -0.54 0.00 0.00 174.62 176.59 2psf h GLY 17 N -1.26 -0.85 0.73 3.99 0.00 -1.93 -1.59 103.07 102.16 2psf h GLY 17 Ca -0.48 0.55 0.11 0.00 0.00 0.00 0.00 47.33 47.50 2psf h GLY 17 CO 0.61 -0.24 0.55 -2.55 0.00 0.00 0.00 176.54 174.90 2psf h PRO 18 N -0.59 0.75 -0.59 4.80 0.11 -1.96 0.11 132.00 134.63 2psf h PRO 18 Ca 0.04 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 2psf h PRO 18 Cb 0.67 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 2psf h PRO 18 CO -0.33 0.50 0.23 1.96 -0.21 0.00 0.00 178.00 180.15 2psf h GLN 19 N 0.77 0.88 -0.11 1.05 4.20 -1.85 -1.29 115.11 118.77 2psf h GLN 19 Ca 0.40 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 2psf h GLN 19 Cb 0.49 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2psf h GLN 19 CO -0.17 0.76 -0.01 2.35 -0.67 0.00 0.00 178.83 181.09 2psf h TRP 20 N 0.81 0.22 -0.12 2.96 2.91 -0.43 -3.20 115.95 119.11 2psf h TRP 20 Ca 0.20 -0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.13 2psf h TRP 20 Cb 0.21 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 2psf h TRP 20 CO 0.01 0.47 -0.12 -1.49 -1.03 0.00 0.00 178.44 176.28 2psf h TRP 21 N -0.09 0.19 0.00 2.65 6.55 -0.72 -1.36 115.95 123.17 2psf h TRP 21 Ca 0.03 -0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.85 2psf h TRP 21 Cb 0.38 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 28.63 2psf h TRP 21 CO 0.04 0.31 -0.00 0.00 -1.05 0.00 0.00 178.44 177.74 2psf h ALA 22 N 1.71 1.00 -0.18 1.49 0.00 -1.22 -1.91 119.26 120.14 2psf h ALA 22 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2psf h ALA 22 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2psf h ALA 22 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.81 2psf n ARG 23 N -3.09 2.08 -3.61 0.00 1.74 -0.52 -4.96 116.66 108.30 2psf n ARG 23 Ca -0.01 -1.61 -0.20 0.00 -0.77 0.00 0.00 57.85 55.26 2psf n ARG 23 Cb 0.17 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.15 2psf n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2psf s LYS 25 N -4.12 1.91 0.01 0.00 1.02 0.95 -4.93 119.74 114.57 2psf s LYS 25 Ca 0.42 -1.77 0.04 0.00 0.02 0.00 0.00 55.97 54.68 2psf s LYS 25 Cb -0.09 -1.84 -0.01 0.00 -0.52 0.00 0.00 37.83 35.36 2psf s LYS 25 CO 0.31 0.22 -0.13 -0.65 -0.92 0.00 0.00 175.35 174.18 2psf s GLN 26 N -3.62 1.00 -0.00 1.68 1.11 -1.26 -0.85 119.66 117.72 2psf s GLN 26 Ca 0.32 -0.58 -0.02 0.00 0.01 0.00 0.00 55.36 55.09 2psf s GLN 26 Cb -0.02 -0.98 -0.00 0.00 -1.01 0.00 0.00 33.01 31.00 2psf s GLN 26 CO 0.17 0.26 0.03 0.00 0.01 0.00 0.00 175.29 175.76 2psf s MET 27 N -0.65 0.19 0.19 2.91 0.23 -0.77 -4.98 119.30 116.42 2psf s MET 27 Ca 0.03 -0.22 -0.33 0.00 -1.03 0.00 0.00 55.69 54.14 2psf s MET 27 Cb -0.06 0.07 -0.14 0.00 -1.53 0.00 0.00 34.83 33.17 2psf s MET 27 CO 0.00 -0.03 1.50 -1.71 -2.03 0.00 0.00 175.02 172.75 2psf n ASN 28 N 2.38 2.92 -3.62 -1.18 5.15 -1.26 -1.59 115.26 118.06 2psf n ASN 28 Ca -0.17 1.11 -0.24 0.00 -0.60 0.00 0.00 54.58 54.68 2psf n ASN 28 Cb 0.58 -1.42 -0.17 0.00 -0.53 0.00 0.00 39.78 38.24 2psf n ASN 28 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2psf s VAL 29 N 0.52 -0.11 0.00 3.44 1.01 -0.47 -4.85 120.40 119.93 2psf s VAL 29 Ca 0.75 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2psf s VAL 29 Cb -0.68 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2psf s VAL 29 CO 0.43 -0.15 0.00 0.18 0.00 0.00 0.00 175.10 175.56 2psf n LEU 30 N 5.29 0.00 -1.59 3.92 4.77 -1.26 -0.87 117.00 127.25 2psf n LEU 30 Ca -0.06 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.99 2psf n LEU 30 Cb 0.49 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.92 2psf n LEU 30 CO 0.09 0.00 0.77 -0.90 -1.33 0.00 0.00 177.39 176.02 2psf n ASP 31 N 7.18 4.73 0.00 -1.43 5.68 -1.26 -4.96 116.55 126.49 2psf n ASP 31 Ca 0.00 -2.65 0.00 0.00 -0.50 0.00 0.00 54.79 51.64 2psf n ASP 31 Cb 0.00 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 2psf n ASP 31 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2psf n SER 32 N 0.67 0.00 -3.73 -1.12 2.88 -0.05 -4.80 113.62 107.46 2psf n SER 32 Ca 0.23 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.66 2psf n SER 32 Cb 0.96 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.36 2psf n SER 32 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2psf s PHE 33 N -0.36 -0.10 -0.12 0.66 -0.12 -1.26 -1.37 117.98 115.32 2psf s PHE 33 Ca 0.00 -0.11 0.01 0.00 -0.05 0.00 0.00 56.93 56.77 2psf s PHE 33 Cb 0.00 0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.49 2psf s PHE 33 CO 0.00 -0.56 -0.13 0.42 -0.05 0.00 0.00 175.22 174.89 2psf s ILE 34 N -3.05 3.03 -0.04 -4.49 -1.09 -0.62 -0.96 121.20 113.97 2psf s ILE 34 Ca -0.01 -0.68 -0.17 0.00 -2.23 0.00 0.00 60.65 57.55 2psf s ILE 34 Cb 0.01 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.58 2psf s ILE 34 CO -0.07 0.54 0.47 0.21 -1.23 0.00 0.00 174.94 174.86 2psf s ASN 35 N 0.18 6.79 0.02 3.58 2.47 -1.26 -1.85 114.94 124.88 2psf s ASN 35 Ca -0.08 0.94 -0.24 0.00 0.42 0.00 0.00 52.86 53.91 2psf s ASN 35 Cb -0.15 -2.28 0.05 0.00 -1.45 0.00 0.00 41.25 37.42 2psf s ASN 35 CO 0.05 0.17 0.54 -0.72 -3.72 0.00 0.00 177.10 173.41 2psf s TYR 36 N -0.29 -0.45 -0.10 0.43 -0.85 -0.03 -0.67 117.35 115.39 2psf s TYR 36 Ca 0.26 0.61 -0.11 0.00 -0.52 0.00 0.00 57.07 57.30 2psf s TYR 36 Cb -0.16 0.33 -0.05 0.00 0.38 0.00 0.00 41.96 42.46 2psf s TYR 36 CO 0.13 -0.61 0.26 -0.47 -1.52 0.00 0.00 175.55 173.34 2psf s TYR 37 N -2.01 3.59 -0.13 -3.49 5.04 -0.20 -0.04 117.35 120.12 2psf s TYR 37 Ca -0.08 0.67 -0.04 0.00 -2.44 0.00 0.00 57.07 55.19 2psf s TYR 37 Cb -0.01 -2.16 0.05 0.00 0.35 0.00 0.00 41.96 40.19 2psf s TYR 37 CO 0.02 0.55 0.07 0.34 -1.34 0.00 0.00 175.55 175.19 2psf s ASP 38 N -0.57 2.05 0.22 4.32 -1.08 -1.26 -0.39 116.67 119.96 2psf s ASP 38 Ca 0.17 -0.42 0.25 0.00 -0.52 0.00 0.00 52.55 52.03 2psf s ASP 38 Cb -0.14 -0.28 0.90 0.00 -1.46 0.00 0.00 42.92 41.95 2psf s ASP 38 CO 0.06 -0.30 1.74 -1.54 0.52 0.00 0.00 175.17 175.65 2psf n SER 39 N 5.24 0.69 0.00 -0.34 3.41 -0.13 -4.91 113.62 117.58 2psf n SER 39 Ca -0.06 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 2psf n SER 39 Cb 0.49 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2psf n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2psf n GLU 40 N -2.20 0.00 -2.04 4.33 1.02 -1.26 -4.89 120.64 115.60 2psf n GLU 40 Ca 0.04 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.85 2psf n GLU 40 Cb 0.32 -0.01 0.01 0.00 -0.02 0.00 0.00 31.44 31.75 2psf n GLU 40 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2psf s LYS 41 N 0.00 3.23 -1.08 3.49 3.01 -1.26 -3.93 119.74 123.21 2psf s LYS 41 Ca 0.00 1.31 -0.01 0.00 -1.01 0.00 0.00 55.97 56.26 2psf s LYS 41 Cb 0.00 -2.01 0.00 0.00 -1.01 0.00 0.00 37.83 34.81 2psf s LYS 41 CO 0.00 -0.89 0.90 0.72 0.51 0.00 0.00 175.35 176.59 2psf n HIS 42 N -1.95 -2.02 1.47 3.18 8.25 -1.26 -2.28 115.22 120.61 2psf n HIS 42 Ca 0.10 0.84 0.13 0.00 -0.26 0.00 0.00 57.72 58.52 2psf n HIS 42 Cb 0.52 -4.69 0.73 0.00 1.12 0.00 0.00 29.99 27.67 2psf n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2psf n ALA 43 N -3.89 2.40 0.30 -1.41 0.00 -1.25 -1.96 120.51 114.69 2psf n ALA 43 Ca -0.22 -0.15 0.17 0.00 0.00 0.00 0.00 53.44 53.25 2psf n ALA 43 Cb 0.64 -1.42 0.95 0.00 0.00 0.00 0.00 19.45 19.61 2psf n ALA 43 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2psf h GLU 44 N 0.00 0.00 -5.74 0.00 9.09 -1.93 -3.43 114.58 112.58 2psf h GLU 44 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 2psf h GLU 44 Cb 0.10 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 27.06 2psf h GLU 44 CO 0.00 0.03 -0.72 -0.80 0.05 0.00 0.00 179.01 177.57 2psf s ASN 45 N -5.83 2.98 -0.04 3.06 0.01 -1.11 -4.78 114.94 109.23 2psf s ASN 45 Ca -0.04 -1.09 -0.01 0.00 -0.71 0.00 0.00 52.86 51.01 2psf s ASN 45 Cb 0.14 -0.20 0.03 0.00 0.41 0.00 0.00 41.25 41.62 2psf s ASN 45 CO 0.52 -0.17 0.06 0.00 -1.51 0.00 0.00 177.10 175.99 2psf s ALA 46 N -2.84 0.04 -0.30 0.60 0.00 -1.26 -3.16 121.76 114.85 2psf s ALA 46 Ca 0.27 0.36 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 2psf s ALA 46 Cb -0.00 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.75 2psf s ALA 46 CO 0.11 -0.23 0.03 0.08 0.00 0.00 0.00 175.76 175.75 2psf s VAL 47 N 1.41 3.43 -0.28 0.00 1.01 0.60 -1.00 120.40 125.57 2psf s VAL 47 Ca -0.05 -1.04 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 2psf s VAL 47 Cb -0.12 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2psf s VAL 47 CO -0.04 0.01 0.14 -0.63 0.00 0.00 0.00 175.10 174.58 2psf s ILE 48 N 1.38 4.86 -0.23 2.22 1.01 0.21 -0.98 121.20 129.66 2psf s ILE 48 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 60.65 60.51 2psf s ILE 48 Cb -0.18 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2psf s ILE 48 CO 0.00 0.25 0.11 -0.36 0.00 0.00 0.00 174.94 174.94 2psf s PHE 49 N 1.69 3.21 -0.24 3.97 0.08 -0.64 -0.75 117.98 125.30 2psf s PHE 49 Ca 0.06 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.11 2psf s PHE 49 Cb -0.16 -2.23 0.05 0.00 -0.57 0.00 0.00 43.02 40.11 2psf s PHE 49 CO 0.08 -0.07 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.51 2psf s LEU 50 N 1.14 3.17 1.07 -0.37 1.43 0.39 -4.08 118.68 121.43 2psf s LEU 50 Ca 0.06 -1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 51.86 2psf s LEU 50 Cb -0.14 -1.57 0.22 0.00 0.03 0.00 0.00 46.19 44.74 2psf s LEU 50 CO 0.04 -0.15 1.11 -1.38 0.23 0.00 0.00 176.35 176.20 2psf s HIS 51 N 1.19 1.53 0.00 0.29 -3.43 -1.26 -1.98 115.29 111.63 2psf s HIS 51 Ca -0.04 0.77 0.00 0.00 -0.80 0.00 0.00 55.06 54.99 2psf s HIS 51 Cb -0.18 -3.37 0.00 0.00 -1.43 0.00 0.00 32.58 27.60 2psf s HIS 51 CO -0.06 -3.24 0.00 0.41 -2.00 0.00 0.00 174.74 169.85 2psf n GLY 52 N -1.18 5.25 3.76 -1.38 0.00 -1.22 -2.73 105.19 107.69 2psf n GLY 52 Ca 0.08 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 2psf n GLY 52 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2psf s ASN 53 N 1.00 5.69 0.00 1.61 2.47 -1.26 -3.45 114.94 121.00 2psf s ASN 53 Ca 0.00 2.45 0.00 0.00 0.42 0.00 0.00 52.86 55.73 2psf s ASN 53 Cb 0.00 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 2psf s ASN 53 CO 0.00 -1.25 0.00 0.00 -3.72 0.00 0.00 177.10 172.13 2psf n ALA 54 N -0.90 0.00 -3.14 1.71 0.00 -1.26 -4.95 120.51 111.97 2psf n ALA 54 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2psf n ALA 54 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2psf n ALA 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2psf n THR 55 N -1.96 0.00 -3.17 0.00 -2.24 -1.22 -4.89 114.28 100.79 2psf n THR 55 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2psf n THR 55 Cb 0.00 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 2psf n THR 55 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2psf n SER 56 N -0.69 -0.25 -0.09 3.42 3.41 -1.26 -4.40 113.62 113.75 2psf n SER 56 Ca 0.00 -1.19 0.21 0.00 -0.26 0.00 0.00 58.87 57.63 2psf n SER 56 Cb 0.00 0.42 0.65 0.00 -0.26 0.00 0.00 64.21 65.02 2psf n SER 56 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2psf h SER 57 N 0.23 0.10 -1.15 4.04 4.64 -1.88 -1.45 113.55 118.09 2psf h SER 57 Ca -0.04 0.01 0.33 0.00 -0.47 0.00 0.00 61.79 61.62 2psf h SER 57 Cb 0.14 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.13 2psf h SER 57 CO 0.05 0.05 0.77 0.22 -0.87 0.00 0.00 176.83 177.05 2psf h TYR 58 N 0.11 0.45 -0.68 4.77 3.20 -1.94 -1.28 116.97 121.60 2psf h TYR 58 Ca 0.33 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.42 2psf h TYR 58 Cb 1.17 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 2psf h TYR 58 CO -0.00 -0.01 0.52 1.25 -1.64 0.00 0.00 178.16 178.28 2psf h LEU 59 N 0.23 0.00 -2.12 2.82 5.85 -1.66 -2.05 115.31 118.37 2psf h LEU 59 Ca 0.64 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.36 2psf h LEU 59 Cb 1.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.98 2psf h LEU 59 CO -0.24 0.00 0.00 0.79 -0.34 0.00 0.00 178.44 178.65 2psf n TRP 60 N -4.22 0.39 -0.05 1.25 7.02 -0.48 -4.64 117.44 116.71 2psf n TRP 60 Ca 0.13 -0.20 0.11 0.00 -1.02 0.00 0.00 57.50 56.53 2psf n TRP 60 Cb 0.78 0.00 0.50 0.00 -2.42 0.00 0.00 31.31 30.17 2psf n TRP 60 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 2psf h ARG 61 N 4.26 0.39 -0.01 -0.99 0.11 -1.50 -0.79 114.38 115.85 2psf h ARG 61 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2psf h ARG 61 Cb 0.93 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.92 2psf h ARG 61 CO 0.00 0.26 -0.46 0.72 0.10 0.00 0.00 179.97 180.59 2psf n HIS 62 N -4.47 0.00 -0.05 4.08 8.25 -1.26 -4.34 115.22 117.43 2psf n HIS 62 Ca 0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.33 2psf n HIS 62 Cb 0.31 -0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.28 2psf n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2psf h VAL 63 N 2.34 0.94 -0.32 1.59 2.07 -1.40 -3.41 116.25 118.06 2psf h VAL 63 Ca 0.00 -2.27 -0.00 0.00 0.82 0.00 0.00 66.70 65.25 2psf h VAL 63 Cb 0.74 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 2psf h VAL 63 CO 0.00 0.54 0.19 1.62 0.02 0.00 0.00 177.57 179.94 2psf h VAL 64 N -0.62 1.09 -0.11 2.57 3.04 -1.49 -2.52 116.25 118.20 2psf h VAL 64 Ca -0.33 -0.21 0.03 0.00 -1.01 0.00 0.00 66.70 65.18 2psf h VAL 64 Cb 1.54 0.65 -0.00 0.00 -2.01 0.00 0.00 31.29 31.46 2psf h VAL 64 CO -0.08 0.10 0.14 -0.65 -1.01 0.00 0.00 177.57 176.07 2psf h PRO 65 N 0.44 0.00 0.00 4.17 0.11 -1.78 -0.74 132.00 134.20 2psf h PRO 65 Ca 0.12 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 2psf h PRO 65 Cb -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 2psf h PRO 65 CO -0.02 0.00 -0.20 0.45 -0.21 0.00 0.00 178.00 178.02 2psf h HIS 66 N 0.00 0.00 0.00 0.65 3.86 -1.73 -3.36 115.15 114.56 2psf h HIS 66 Ca 0.05 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.98 2psf h HIS 66 Cb 0.33 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.75 2psf h HIS 66 CO 0.00 0.20 -2.12 -0.89 0.86 0.00 0.00 177.93 175.98 2psf n ILE 67 N -3.19 1.04 -0.30 2.45 5.41 -0.36 -4.51 119.36 119.90 2psf n ILE 67 Ca 0.02 -0.68 0.17 0.00 1.00 0.00 0.00 62.75 63.26 2psf n ILE 67 Cb 0.56 -0.50 0.43 0.00 -0.71 0.00 0.00 39.64 39.42 2psf n ILE 67 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2psf h GLU 68 N 0.00 0.55 0.00 0.38 5.08 -1.50 -1.10 114.58 118.00 2psf h GLU 68 Ca -0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2psf h GLU 68 Cb 1.92 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.05 2psf h GLU 68 CO 0.02 0.37 0.00 -1.35 -1.00 0.00 0.00 179.01 177.05 2psf h PRO 69 N 0.57 0.00 0.00 2.33 0.11 -1.79 -3.22 132.00 130.00 2psf h PRO 69 Ca 0.53 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.40 2psf h PRO 69 Cb 1.07 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2psf h PRO 69 CO -0.27 0.00 -2.03 1.33 -0.21 0.00 0.00 178.00 176.82 2psf n VAL 70 N -2.82 0.88 -3.51 3.15 0.24 -0.43 -5.02 118.33 110.82 2psf n VAL 70 Ca -0.02 -0.62 -0.15 0.00 -2.04 0.00 0.00 64.34 61.51 2psf n VAL 70 Cb 0.09 -0.45 -0.05 0.00 -1.47 0.00 0.00 33.84 31.97 2psf n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2psf s ALA 71 N -2.53 -1.59 0.20 2.33 0.00 -1.14 -4.94 121.76 114.09 2psf s ALA 71 Ca -0.08 0.88 -0.32 0.00 0.00 0.00 0.00 51.96 52.45 2psf s ALA 71 Cb 0.06 0.35 -0.12 0.00 0.00 0.00 0.00 23.12 23.41 2psf s ALA 71 CO 0.66 -0.51 1.70 0.50 0.00 0.00 0.00 175.76 178.11 2psf s ARG 72 N -2.23 4.14 -0.14 0.00 3.52 -0.83 -4.24 118.95 119.16 2psf s ARG 72 Ca -0.06 2.57 -0.01 0.00 -0.13 0.00 0.00 55.73 58.11 2psf s ARG 72 Cb -0.01 -3.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 2psf s ARG 72 CO 0.00 -0.73 -0.12 0.00 -0.81 0.00 0.00 175.30 173.64 2psf s ILE 74 N 0.44 1.06 -0.30 0.00 1.01 -0.15 -0.95 121.20 122.30 2psf s ILE 74 Ca -0.09 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 2psf s ILE 74 Cb -0.16 -0.99 0.10 0.00 0.01 0.00 0.00 42.46 41.43 2psf s ILE 74 CO 0.05 0.34 0.14 -0.63 0.00 0.00 0.00 174.94 174.84 2psf s ILE 75 N 0.86 0.08 0.41 2.92 1.01 0.47 -1.63 121.20 125.32 2psf s ILE 75 Ca -0.11 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.42 2psf s ILE 75 Cb -0.15 -1.09 -0.09 0.00 0.01 0.00 0.00 42.46 41.14 2psf s ILE 75 CO 0.01 -0.75 0.86 -2.16 0.00 0.00 0.00 174.94 172.90 2psf s PRO 76 N 1.91 4.00 -0.18 2.79 0.04 -1.26 -1.03 135.00 141.27 2psf s PRO 76 Ca 0.10 0.80 -0.28 0.00 0.04 0.00 0.00 61.00 61.66 2psf s PRO 76 Cb -0.17 -2.29 -0.00 0.00 0.04 0.00 0.00 34.50 32.08 2psf s PRO 76 CO -0.31 -0.04 0.98 -0.51 0.04 0.00 0.00 177.00 177.16 2psf s ASP 77 N -2.64 7.10 0.81 6.66 1.01 0.16 -3.90 116.67 125.87 2psf s ASP 77 Ca 0.57 1.37 -0.13 0.00 0.71 0.00 0.00 52.55 55.07 2psf s ASP 77 Cb -0.10 -2.52 0.08 0.00 1.01 0.00 0.00 42.92 41.39 2psf s ASP 77 CO 0.23 -0.54 1.18 -0.76 0.21 0.00 0.00 175.17 175.49 2psf s LEU 78 N 2.59 3.11 0.38 1.23 1.43 -1.26 -4.51 118.68 121.65 2psf s LEU 78 Ca 0.44 2.28 -0.27 0.00 -1.03 0.00 0.00 54.13 55.54 2psf s LEU 78 Cb -0.16 -4.58 -0.11 0.00 0.03 0.00 0.00 46.19 41.37 2psf s LEU 78 CO 0.11 -2.62 1.36 0.00 0.23 0.00 0.00 176.35 175.44 2psf n ILE 79 N -3.39 2.22 -0.87 -0.59 0.13 -1.26 -1.15 119.36 114.45 2psf n ILE 79 Ca 0.13 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.28 2psf n ILE 79 Cb 0.51 -1.73 0.00 0.00 -0.84 0.00 0.00 39.64 37.58 2psf n ILE 79 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2psf n GLY 80 N 0.66 0.77 3.40 4.50 0.00 0.08 -4.88 105.19 109.72 2psf n GLY 80 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2psf n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2psf s MET 81 N -0.24 1.48 3.77 1.61 -1.94 -0.30 -4.81 119.30 118.87 2psf s MET 81 Ca 0.00 -1.72 0.00 0.00 -1.71 0.00 0.00 55.69 52.26 2psf s MET 81 Cb 0.00 -1.14 0.00 0.00 2.01 0.00 0.00 34.83 35.70 2psf s MET 81 CO 0.00 0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.50 2psf n GLY 82 N -0.52 2.74 1.33 -0.03 0.00 -1.26 -1.86 105.19 105.58 2psf n GLY 82 Ca -0.06 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.89 2psf n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2psf n LYS 83 N 14.00 3.67 -1.31 1.61 4.76 -1.26 -4.65 118.16 134.98 2psf n LYS 83 Ca 0.00 -2.85 -0.29 0.00 -2.87 0.00 0.00 58.31 52.30 2psf n LYS 83 Cb 0.00 -1.90 0.14 0.00 -1.84 0.00 0.00 35.03 31.43 2psf n LYS 83 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2psf s SER 84 N -1.22 3.51 1.17 4.39 0.01 -0.78 -4.49 113.70 116.29 2psf s SER 84 Ca 0.46 1.31 -0.19 0.00 1.31 0.00 0.00 55.95 58.84 2psf s SER 84 Cb 0.33 -1.99 0.28 0.00 0.21 0.00 0.00 66.02 64.85 2psf s SER 84 CO 0.16 -2.59 1.14 -0.83 0.41 0.00 0.00 173.24 171.54 2psf s GLY 85 N -3.61 1.62 0.32 3.44 0.00 -0.13 -4.61 107.32 104.35 2psf s GLY 85 Ca 0.63 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 44.35 2psf s GLY 85 CO 0.56 -0.13 0.52 0.54 0.00 0.00 0.00 173.10 174.59 2psf s LYS 86 N -5.50 3.49 0.34 2.90 -0.14 -1.26 -0.74 119.74 118.82 2psf s LYS 86 Ca 0.72 -0.38 -0.29 0.00 -1.36 0.00 0.00 55.97 54.66 2psf s LYS 86 Cb -0.08 -2.70 -0.10 0.00 -1.68 0.00 0.00 37.83 33.26 2psf s LYS 86 CO 0.55 0.20 1.37 0.45 -0.76 0.00 0.00 175.35 177.16 2psf s SER 87 N -3.95 6.65 0.35 2.83 0.15 -1.26 -4.73 113.70 113.74 2psf s SER 87 Ca 0.39 2.78 0.03 0.00 0.70 0.00 0.00 55.95 59.85 2psf s SER 87 Cb -0.10 -2.65 0.63 0.00 -1.71 0.00 0.00 66.02 62.19 2psf s SER 87 CO 0.35 -0.64 1.99 1.23 1.20 0.00 0.00 173.24 177.36 2psf h GLY 88 N 3.44 0.83 -2.20 9.45 0.00 -1.92 -2.75 103.07 109.92 2psf h GLY 88 Ca -0.49 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.50 2psf h GLY 88 CO 0.66 0.33 0.00 1.16 0.00 0.00 0.00 176.54 178.69 2psf n ASN 89 N -4.41 3.34 -0.56 0.19 6.94 -1.26 -4.97 115.26 114.53 2psf n ASN 89 Ca 0.05 -1.99 -0.07 0.00 -0.02 0.00 0.00 54.58 52.55 2psf n ASN 89 Cb 0.08 -0.18 -0.03 0.00 -2.36 0.00 0.00 39.78 37.29 2psf n ASN 89 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2psf n GLY 90 N 1.45 0.90 3.83 4.83 0.00 -1.04 -5.01 105.19 110.15 2psf n GLY 90 Ca 0.18 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2psf n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2psf s SER 91 N -2.60 6.07 -0.28 1.61 0.15 -1.26 -5.01 113.70 112.38 2psf s SER 91 Ca 0.00 0.35 0.20 0.00 0.70 0.00 0.00 55.95 57.20 2psf s SER 91 Cb 0.00 -1.89 0.50 0.00 -1.71 0.00 0.00 66.02 62.92 2psf s SER 91 CO 0.00 0.36 1.09 -1.22 1.20 0.00 0.00 173.24 174.68 2psf n TYR 92 N 1.75 1.41 -1.80 3.44 4.01 -1.26 -4.80 117.16 119.90 2psf n TYR 92 Ca -0.17 -2.27 -0.29 0.00 -0.16 0.00 0.00 57.90 55.01 2psf n TYR 92 Cb 0.54 -0.26 0.09 0.00 -0.31 0.00 0.00 39.34 39.40 2psf n TYR 92 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2psf s ARG 93 N -3.68 2.03 0.22 -0.72 0.52 -1.26 -4.43 118.95 111.63 2psf s ARG 93 Ca 0.29 0.27 -0.09 0.00 -0.52 0.00 0.00 55.73 55.68 2psf s ARG 93 Cb 0.35 -1.94 0.34 0.00 0.52 0.00 0.00 34.95 34.22 2psf s ARG 93 CO -0.02 -1.58 1.68 1.25 0.02 0.00 0.00 175.30 176.65 2psf h LEU 94 N -1.05 -0.09 -1.21 2.53 5.85 -1.96 -0.91 115.31 118.47 2psf h LEU 94 Ca -0.47 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 2psf h LEU 94 Cb 1.31 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 2psf h LEU 94 CO 0.64 -0.05 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.43 2psf h LEU 95 N 0.21 0.00 -0.04 2.25 3.38 -1.98 -0.94 115.31 118.19 2psf h LEU 95 Ca 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2psf h LEU 95 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2psf h LEU 95 CO -0.48 0.19 -0.00 0.44 0.09 0.00 0.00 178.44 178.68 2psf h ASP 96 N 0.00 0.07 -0.94 -0.43 3.32 -1.54 -1.65 116.42 115.26 2psf h ASP 96 Ca -0.00 -0.33 0.05 0.00 0.02 0.00 0.00 57.03 56.77 2psf h ASP 96 Cb 0.69 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 2psf h ASP 96 CO 0.02 0.38 0.60 0.45 -1.72 0.00 0.00 179.24 178.98 2psf h HIS 97 N -0.24 1.13 -0.54 4.55 3.86 -1.01 -2.76 115.15 120.14 2psf h HIS 97 Ca 0.01 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.17 2psf h HIS 97 Cb 0.35 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 2psf h HIS 97 CO 0.04 0.60 0.02 -0.92 0.86 0.00 0.00 177.93 178.53 2psf h TYR 98 N 1.13 0.98 -0.15 2.45 3.20 -1.10 -0.62 116.97 122.86 2psf h TYR 98 Ca 0.40 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 62.16 2psf h TYR 98 Cb 0.11 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 2psf h TYR 98 CO -0.01 0.88 -0.08 -0.22 -1.64 0.00 0.00 178.16 177.08 2psf h LYS 99 N 0.85 -0.07 -0.34 1.82 3.64 -1.01 -1.06 116.57 120.40 2psf h LYS 99 Ca 0.16 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.38 2psf h LYS 99 Cb 0.48 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2psf h LYS 99 CO 0.02 -0.04 -0.45 1.88 -2.27 0.00 0.00 179.45 178.58 2psf h TYR 100 N -0.07 1.09 -0.32 1.91 0.05 -1.33 -2.67 116.97 115.62 2psf h TYR 100 Ca 0.09 -0.35 -0.01 0.00 0.05 0.00 0.00 58.73 58.50 2psf h TYR 100 Cb 0.20 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2psf h TYR 100 CO -0.22 1.17 0.15 1.25 -1.05 0.00 0.00 178.16 179.46 2psf h LEU 101 N 0.71 0.42 -0.75 3.88 5.85 -0.95 -0.57 115.31 123.89 2psf h LEU 101 Ca 0.04 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.51 2psf h LEU 101 Cb 1.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 2psf h LEU 101 CO 0.11 0.44 -0.29 0.71 -0.34 0.00 0.00 178.44 179.06 2psf h THR 102 N 0.38 1.28 -0.44 1.05 1.35 -1.25 -0.90 112.91 114.37 2psf h THR 102 Ca 0.11 -1.40 -0.06 0.00 -0.55 0.00 0.00 66.41 64.51 2psf h THR 102 Cb 0.13 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 2psf h THR 102 CO -0.01 0.45 0.05 0.00 -0.25 0.00 0.00 175.52 175.76 2psf h ALA 103 N 1.14 0.59 -0.53 6.62 0.00 -1.28 -2.99 119.26 122.81 2psf h ALA 103 Ca 0.07 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2psf h ALA 103 Cb 0.78 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2psf h ALA 103 CO 0.06 0.34 0.30 2.35 0.00 0.00 0.00 179.25 182.30 2psf h TRP 104 N 0.61 0.55 -1.00 0.00 7.01 -0.88 -2.90 115.95 119.34 2psf h TRP 104 Ca 0.13 0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.30 2psf h TRP 104 Cb 0.42 -0.17 -0.09 0.00 -2.10 0.00 0.00 29.16 27.22 2psf h TRP 104 CO 0.03 0.29 0.62 0.74 -2.79 0.00 0.00 178.44 177.34 2psf h PHE 105 N 0.58 1.09 0.00 2.65 0.04 -1.03 -2.21 116.94 118.06 2psf h PHE 105 Ca 0.22 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2psf h PHE 105 Cb 0.08 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 37.89 2psf h PHE 105 CO -0.08 0.36 0.00 0.93 -0.60 0.00 0.00 178.31 178.92 2psf h GLU 106 N 0.89 0.00 -0.21 1.51 4.39 -1.39 -2.44 114.58 117.33 2psf h GLU 106 Ca 0.52 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.22 2psf h GLU 106 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2psf h GLU 106 CO -0.30 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 178.83 2psf n LEU 107 N -2.48 3.01 -0.38 1.33 4.77 -0.83 -4.59 117.00 117.83 2psf n LEU 107 Ca 0.00 -1.30 0.12 0.00 -0.03 0.00 0.00 56.01 54.80 2psf n LEU 107 Cb 0.18 -0.13 0.12 0.00 -2.33 0.00 0.00 43.42 41.26 2psf n LEU 107 CO 0.19 0.60 0.40 0.18 -1.33 0.00 0.00 177.39 177.43 2psf n LEU 108 N 1.22 1.62 -3.53 2.23 4.77 -0.92 -4.98 117.00 117.41 2psf n LEU 108 Ca 0.15 -0.57 -0.21 0.00 -0.03 0.00 0.00 56.01 55.35 2psf n LEU 108 Cb 0.53 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 2psf n LEU 108 CO 0.13 0.31 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.29 2psf n ASN 109 N -0.34 -3.68 -4.85 -1.43 5.15 -1.26 -4.98 115.26 103.86 2psf n ASN 109 Ca 0.10 -0.80 -0.32 0.00 -0.60 0.00 0.00 54.58 52.97 2psf n ASN 109 Cb 0.42 -4.42 -0.01 0.00 -0.53 0.00 0.00 39.78 35.24 2psf n ASN 109 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2psf s LEU 110 N -6.22 3.42 0.96 1.20 1.43 -1.26 -5.06 118.68 113.14 2psf s LEU 110 Ca 0.23 1.50 -0.12 0.00 -1.03 0.00 0.00 54.13 54.71 2psf s LEU 110 Cb -0.05 -4.49 0.16 0.00 0.03 0.00 0.00 46.19 41.84 2psf s LEU 110 CO 0.79 -0.75 1.11 -2.16 0.23 0.00 0.00 176.35 175.57 2psf s PRO 111 N -4.62 0.78 0.15 1.29 0.04 -1.26 -4.96 135.00 126.41 2psf s PRO 111 Ca 0.57 0.46 -0.16 0.00 0.04 0.00 0.00 61.00 61.91 2psf s PRO 111 Cb -0.11 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2psf s PRO 111 CO 0.43 -2.48 1.75 -0.22 0.04 0.00 0.00 177.00 176.52 2psf h LYS 112 N -1.71 0.58 -5.05 4.56 3.64 -1.94 -3.41 116.57 113.25 2psf h LYS 112 Ca -0.53 -0.07 -0.65 0.00 -1.27 0.00 0.00 60.65 58.14 2psf h LYS 112 Cb 1.32 -0.11 -0.25 0.00 -0.41 0.00 0.00 32.23 32.78 2psf h LYS 112 CO 0.59 0.46 -0.68 0.15 -2.27 0.00 0.00 179.45 177.70 2psf s LYS 113 N -5.87 3.52 0.05 1.90 -0.14 -1.26 -4.33 119.74 113.60 2psf s LYS 113 Ca -0.13 -0.56 0.05 0.00 -1.36 0.00 0.00 55.97 53.97 2psf s LYS 113 Cb 0.11 -3.08 -0.04 0.00 -1.68 0.00 0.00 37.83 33.14 2psf s LYS 113 CO 0.74 -0.10 -0.09 0.42 -0.76 0.00 0.00 175.35 175.56 2psf s ILE 114 N 1.28 3.46 -0.18 2.17 1.01 0.06 -4.60 121.20 124.40 2psf s ILE 114 Ca 0.04 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 2psf s ILE 114 Cb -0.15 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 2psf s ILE 114 CO 0.00 0.27 0.10 -0.63 0.00 0.00 0.00 174.94 174.67 2psf s ILE 115 N -1.09 5.12 -0.04 2.92 1.01 -0.17 -0.28 121.20 128.67 2psf s ILE 115 Ca 0.19 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.95 2psf s ILE 115 Cb -0.11 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 2psf s ILE 115 CO 0.10 0.48 -0.10 -0.36 0.00 0.00 0.00 174.94 175.06 2psf s PHE 116 N 0.12 2.82 -0.22 3.97 0.08 -0.74 -0.62 117.98 123.39 2psf s PHE 116 Ca 0.07 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.06 2psf s PHE 116 Cb -0.12 -1.64 0.05 0.00 -0.57 0.00 0.00 43.02 40.75 2psf s PHE 116 CO -0.00 0.29 -0.07 0.08 -0.10 0.00 0.00 175.22 175.42 2psf s VAL 117 N -0.84 1.53 0.03 -0.44 1.01 0.07 -0.32 120.40 121.44 2psf s VAL 117 Ca 0.13 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 61.08 2psf s VAL 117 Cb -0.11 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2psf s VAL 117 CO 0.03 -0.00 -0.22 -0.83 0.00 0.00 0.00 175.10 174.08 2psf s GLY 118 N 1.41 1.15 -0.05 4.51 0.00 -0.19 -0.46 107.32 113.69 2psf s GLY 118 Ca -0.04 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.65 2psf s GLY 118 CO -0.07 -0.97 -0.15 -1.58 0.00 0.00 0.00 173.10 170.34 2psf s HIS 119 N -0.74 1.55 0.00 1.90 5.65 -0.84 -2.45 115.29 120.37 2psf s HIS 119 Ca 0.08 -0.47 0.00 0.00 0.25 0.00 0.00 55.06 54.93 2psf s HIS 119 Cb -0.09 -1.07 0.00 0.00 -1.18 0.00 0.00 32.58 30.24 2psf s HIS 119 CO 0.01 -0.18 0.00 -3.47 -0.65 0.00 0.00 174.74 170.45 2psf n ASP 120 N 3.29 0.00 0.29 9.88 2.03 -0.43 -0.77 116.55 130.84 2psf n ASP 120 Ca -0.19 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.30 2psf n ASP 120 Cb 0.53 0.00 0.81 0.00 -0.72 0.00 0.00 41.12 41.74 2psf n ASP 120 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 2psf h TRP 121 N 0.00 0.00 -0.70 -0.67 4.06 -1.85 -1.39 115.95 115.39 2psf h TRP 121 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 2psf h TRP 121 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 2psf h TRP 121 CO 0.00 0.02 0.47 0.78 -3.56 0.00 0.00 178.44 176.15 2psf h GLY 122 N 1.44 0.99 1.14 1.49 0.00 -0.75 -1.46 103.07 105.92 2psf h GLY 122 Ca -0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 2psf h GLY 122 CO 0.00 0.36 0.03 0.00 0.00 0.00 0.00 176.54 176.94 2psf h ALA 123 N 1.56 0.91 -0.74 3.60 0.00 -1.15 -1.85 119.26 121.59 2psf h ALA 123 Ca 0.26 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2psf h ALA 123 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 2psf h ALA 123 CO -0.06 0.65 0.48 0.00 0.00 0.00 0.00 179.25 180.33 2psf h ALA 124 N 1.07 0.96 -0.56 0.00 0.00 -1.34 0.14 119.26 119.53 2psf h ALA 124 Ca 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2psf h ALA 124 Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2psf h ALA 124 CO 0.02 0.31 0.21 -0.07 0.00 0.00 0.00 179.25 179.72 2psf h LEU 125 N 0.96 0.79 -0.47 0.00 3.38 -1.10 -0.36 115.31 118.52 2psf h LEU 125 Ca 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2psf h LEU 125 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2psf h LEU 125 CO -0.08 0.76 0.26 0.00 0.09 0.00 0.00 178.44 179.46 2psf h ALA 126 N 1.06 0.60 -0.55 1.53 0.00 -0.87 -0.54 119.26 120.48 2psf h ALA 126 Ca 0.18 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2psf h ALA 126 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2psf h ALA 126 CO -0.01 0.12 0.07 0.74 0.00 0.00 0.00 179.25 180.16 2psf h PHE 127 N 0.61 0.99 -0.32 0.00 0.04 -0.49 0.43 116.94 118.20 2psf h PHE 127 Ca 0.16 -0.14 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 2psf h PHE 127 Cb 0.05 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 2psf h PHE 127 CO -0.02 0.88 -0.06 1.25 -0.60 0.00 0.00 178.31 179.76 2psf h HIS 128 N 0.81 0.68 -0.47 -0.55 2.76 -1.01 -0.99 115.15 116.39 2psf h HIS 128 Ca 0.17 -0.14 0.07 0.00 -2.20 0.00 0.00 60.37 58.26 2psf h HIS 128 Cb 0.44 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.17 2psf h HIS 128 CO 0.03 0.77 0.14 -0.92 -1.30 0.00 0.00 177.93 176.65 2psf h TYR 129 N 0.39 0.24 -0.32 5.26 3.20 -0.89 -2.18 116.97 122.66 2psf h TYR 129 Ca 0.08 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.02 2psf h TYR 129 Cb 0.54 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2psf h TYR 129 CO 0.05 0.06 0.10 0.00 -1.64 0.00 0.00 178.16 176.73 2psf h ALA 130 N 1.33 0.36 -0.90 1.82 0.00 -0.70 0.19 119.26 121.36 2psf h ALA 130 Ca 0.23 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.26 2psf h ALA 130 Cb 0.26 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 2psf h ALA 130 CO -0.25 -0.30 0.56 -0.92 0.00 0.00 0.00 179.25 178.33 2psf h TYR 131 N 0.23 1.03 -0.00 0.00 3.20 -0.85 -2.08 116.97 118.49 2psf h TYR 131 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2psf h TYR 131 Cb 0.13 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.07 2psf h TYR 131 CO -0.15 0.49 -0.26 0.39 -1.64 0.00 0.00 178.16 176.99 2psf n GLU 132 N -4.62 0.45 -3.12 1.82 1.02 -0.85 -4.33 120.64 111.00 2psf n GLU 132 Ca 0.14 -0.21 -0.17 0.00 -0.02 0.00 0.00 57.16 56.89 2psf n GLU 132 Cb 0.22 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 2psf n GLU 132 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2psf n HIS 133 N -1.09 -0.37 0.34 -0.32 8.25 0.01 -4.99 115.22 117.05 2psf n HIS 133 Ca 0.10 -3.52 0.15 0.00 -0.26 0.00 0.00 57.72 54.19 2psf n HIS 133 Cb 0.32 -0.10 0.60 0.00 1.12 0.00 0.00 29.99 31.93 2psf n HIS 133 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2psf h GLN 134 N 3.16 0.00 -0.39 -0.41 4.20 -1.61 -1.22 115.11 118.85 2psf h GLN 134 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2psf h GLN 134 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 2psf h GLN 134 CO 0.44 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.20 2psf n ASP 135 N -2.65 2.37 -0.38 1.46 5.75 -1.26 -4.24 116.55 117.59 2psf n ASP 135 Ca 0.01 -1.93 0.05 0.00 -0.01 0.00 0.00 54.79 52.91 2psf n ASP 135 Cb 0.26 -0.25 0.12 0.00 -1.03 0.00 0.00 41.12 40.21 2psf n ASP 135 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2psf n ARG 136 N 0.79 2.70 -4.10 0.11 5.12 -0.46 -4.72 116.66 116.10 2psf n ARG 136 Ca 0.16 -2.06 -0.33 0.00 -1.93 0.00 0.00 57.85 53.69 2psf n ARG 136 Cb 0.39 -1.30 -0.16 0.00 -1.16 0.00 0.00 32.46 30.24 2psf n ARG 136 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2psf s ILE 137 N -1.55 2.17 -0.12 0.55 -1.09 -1.26 -0.76 121.20 119.14 2psf s ILE 137 Ca 0.19 -0.92 -0.09 0.00 -2.23 0.00 0.00 60.65 57.61 2psf s ILE 137 Cb 0.14 -1.92 -0.26 0.00 -1.58 0.00 0.00 42.46 38.83 2psf s ILE 137 CO 0.07 0.52 0.40 0.50 -1.23 0.00 0.00 174.94 175.21 2psf h LYS 138 N 7.95 0.26 -2.11 2.79 3.64 -0.90 -3.44 116.57 124.76 2psf h LYS 138 Ca -0.45 -0.44 0.12 0.00 -1.27 0.00 0.00 60.65 58.60 2psf h LYS 138 Cb 1.14 0.17 -0.17 0.00 -0.41 0.00 0.00 32.23 32.96 2psf h LYS 138 CO 0.63 1.21 0.53 0.00 -2.27 0.00 0.00 179.45 179.55 2psf s ALA 139 N -2.54 -1.86 -0.05 5.00 0.00 -1.23 -4.21 121.76 116.87 2psf s ALA 139 Ca -0.22 1.14 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2psf s ALA 139 Cb 0.06 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.43 2psf s ALA 139 CO 0.77 -0.63 -0.03 0.42 0.00 0.00 0.00 175.76 176.29 2psf s ILE 140 N -2.79 0.43 -0.15 0.00 1.01 -0.86 -1.80 121.20 117.05 2psf s ILE 140 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 2psf s ILE 140 Cb -0.01 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 2psf s ILE 140 CO -0.07 0.22 0.04 -0.69 0.00 0.00 0.00 174.94 174.43 2psf s VAL 141 N 1.14 4.59 0.05 2.92 1.01 0.56 -1.48 120.40 129.20 2psf s VAL 141 Ca -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 2psf s VAL 141 Cb -0.14 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2psf s VAL 141 CO -0.01 0.51 0.00 -1.38 0.00 0.00 0.00 175.10 174.22 2psf s HIS 142 N -0.01 0.45 -0.25 5.22 -0.00 -0.06 -1.02 115.29 119.62 2psf s HIS 142 Ca 0.05 -0.96 -0.26 0.00 -0.00 0.00 0.00 55.06 53.89 2psf s HIS 142 Cb -0.12 -0.33 0.09 0.00 -0.00 0.00 0.00 32.58 32.22 2psf s HIS 142 CO 0.01 -0.39 0.83 0.00 -0.00 0.00 0.00 174.74 175.19 2psf s MET 143 N -3.75 0.73 -1.22 -0.38 0.23 -1.03 -1.55 119.30 112.33 2psf s MET 143 Ca 0.05 0.78 -0.17 0.00 -1.03 0.00 0.00 55.69 55.33 2psf s MET 143 Cb 0.06 0.36 0.02 0.00 -1.53 0.00 0.00 34.83 33.74 2psf s MET 143 CO -0.10 -0.11 0.31 0.39 -2.03 0.00 0.00 175.02 173.49 2psf n GLU 144 N 2.33 -0.60 -4.26 3.16 -0.58 -1.26 -2.92 120.64 116.51 2psf n GLU 144 Ca -0.14 0.03 -0.23 0.00 -0.42 0.00 0.00 57.16 56.40 2psf n GLU 144 Cb 0.56 -2.58 -0.07 0.00 -0.57 0.00 0.00 31.44 28.78 2psf n GLU 144 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2psf s SER 145 N -3.95 4.70 -1.14 1.62 1.04 -1.26 -1.32 113.70 113.39 2psf s SER 145 Ca 0.23 -0.59 -0.19 0.00 0.48 0.00 0.00 55.95 55.88 2psf s SER 145 Cb -0.13 -0.93 0.08 0.00 0.10 0.00 0.00 66.02 65.15 2psf s SER 145 CO 0.88 -0.02 1.52 -0.69 0.98 0.00 0.00 173.24 175.91 2psf s VAL 146 N -2.30 4.25 0.04 5.02 1.01 -1.24 -4.80 120.40 122.38 2psf s VAL 146 Ca 0.32 -1.57 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 2psf s VAL 146 Cb -0.06 -5.06 -0.30 0.00 0.00 0.00 0.00 36.38 30.95 2psf s VAL 146 CO 0.21 -1.88 1.03 -0.37 0.00 0.00 0.00 175.10 174.09 2psf h VAL 147 N 5.91 1.35 -3.39 2.92 -1.51 -1.95 -3.42 116.25 116.17 2psf h VAL 147 Ca 0.31 -2.90 -0.04 0.00 -1.23 0.00 0.00 66.70 62.83 2psf h VAL 147 Cb 0.94 2.93 -0.06 0.00 -2.13 0.00 0.00 31.29 32.97 2psf h VAL 147 CO 1.38 0.86 0.06 -0.62 -1.23 0.00 0.00 177.57 178.01 2psf s ASP 148 N -7.23 0.02 0.86 4.19 -1.08 -1.26 -4.65 116.67 107.53 2psf s ASP 148 Ca -0.07 -0.96 -0.10 0.00 -0.52 0.00 0.00 52.55 50.89 2psf s ASP 148 Cb 0.06 0.70 0.11 0.00 -1.46 0.00 0.00 42.92 42.33 2psf s ASP 148 CO 0.89 -1.35 1.11 0.68 0.52 0.00 0.00 175.17 177.03 2psf s VAL 149 N -3.47 2.65 -0.34 1.11 -7.23 -1.26 -4.90 120.40 106.96 2psf s VAL 149 Ca 0.19 0.21 -0.08 0.00 -1.81 0.00 0.00 61.98 60.49 2psf s VAL 149 Cb -0.03 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.47 2psf s VAL 149 CO 0.11 -0.28 0.12 -0.63 -0.31 0.00 0.00 175.10 174.11 2psf s ILE 150 N -2.77 4.01 -0.13 -0.62 1.01 -0.05 -4.94 121.20 117.71 2psf s ILE 150 Ca 0.64 -0.97 0.19 0.00 0.00 0.00 0.00 60.65 60.51 2psf s ILE 150 Cb -0.20 -3.22 -0.19 0.00 0.01 0.00 0.00 42.46 38.86 2psf s ILE 150 CO 0.57 -0.14 0.63 -0.62 0.00 0.00 0.00 174.94 175.39 2psf n GLU 151 N 4.87 0.64 -3.72 2.79 1.02 -1.26 -1.21 120.64 123.76 2psf n GLU 151 Ca -0.13 0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 56.97 2psf n GLU 151 Cb 0.46 -1.69 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 2psf n GLU 151 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2psf s SER 152 N -5.34 -0.11 0.00 1.62 0.15 -1.26 -4.93 113.70 103.82 2psf s SER 152 Ca -0.05 -0.37 0.19 0.00 0.70 0.00 0.00 55.95 56.42 2psf s SER 152 Cb 0.10 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.84 2psf s SER 152 CO 0.84 -0.76 0.98 0.79 1.20 0.00 0.00 173.24 176.29 2psf n TRP 153 N 0.03 0.00 0.31 3.44 7.02 -1.26 -4.66 117.44 122.31 2psf n TRP 153 Ca -0.16 0.00 0.17 0.00 -1.02 0.00 0.00 57.50 56.48 2psf n TRP 153 Cb 0.62 0.00 0.98 0.00 -2.42 0.00 0.00 31.31 30.49 2psf n TRP 153 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2psf h ASP 154 N 2.37 0.00 0.19 -0.99 3.32 -1.97 0.78 116.42 120.12 2psf h ASP 154 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2psf h ASP 154 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2psf h ASP 154 CO 0.00 0.01 -0.67 -0.62 -1.72 0.00 0.00 179.24 176.23 2psf n GLU 155 N -3.67 0.28 -2.83 3.56 1.02 -1.26 -4.99 120.64 112.75 2psf n GLU 155 Ca -0.03 -0.20 -0.25 0.00 -0.02 0.00 0.00 57.16 56.66 2psf n GLU 155 Cb 0.09 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.02 2psf n GLU 155 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2psf s TRP 156 N -2.86 3.36 1.10 -0.32 0.52 0.27 -3.75 118.94 117.25 2psf s TRP 156 Ca 0.12 0.48 -0.14 0.00 0.02 0.00 0.00 56.10 56.59 2psf s TRP 156 Cb 0.17 -2.34 0.24 0.00 -1.15 0.00 0.00 33.47 30.39 2psf s TRP 156 CO 0.73 -0.37 1.07 -1.25 0.02 0.00 0.00 176.95 177.15 2psf s PRO 157 N -4.66 -0.40 0.00 4.98 0.04 -1.26 -5.00 135.00 128.70 2psf s PRO 157 Ca 0.48 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.98 2psf s PRO 157 Cb -0.10 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2psf s PRO 157 CO 0.41 -3.28 0.14 -3.47 0.04 0.00 0.00 177.00 170.84 2psf n ASP 158 N -4.55 0.00 -0.01 6.66 2.03 -1.26 -4.64 116.55 114.79 2psf n ASP 158 Ca 0.06 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2psf n ASP 158 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 2psf n ASP 158 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2psf n ILE 159 N -0.21 0.00 0.02 5.18 -5.35 -1.26 -4.70 119.36 113.03 2psf n ILE 159 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.35 2psf n ILE 159 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 37.81 2psf n ILE 159 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2psf h GLU 160 N 0.00 -0.09 -0.26 6.28 4.57 -2.00 -1.00 114.58 122.09 2psf h GLU 160 Ca 0.00 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2psf h GLU 160 Cb 0.00 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2psf h GLU 160 CO 0.00 0.36 -0.16 1.49 -1.18 0.00 0.00 179.01 179.52 2psf h GLU 161 N -0.57 0.44 -0.56 1.92 4.57 -1.99 -2.33 114.58 116.06 2psf h GLU 161 Ca -0.01 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 2psf h GLU 161 Cb 0.49 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2psf h GLU 161 CO 0.01 0.59 0.21 0.22 -1.18 0.00 0.00 179.01 178.87 2psf h ASP 162 N 0.41 0.79 -0.40 1.04 3.58 -1.90 0.25 116.42 120.19 2psf h ASP 162 Ca 0.07 -0.18 -0.12 0.00 0.42 0.00 0.00 57.03 57.22 2psf h ASP 162 Cb 0.52 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2psf h ASP 162 CO 0.03 0.76 -0.20 0.40 -2.88 0.00 0.00 179.24 177.35 2psf h ILE 163 N 0.78 1.28 -0.68 2.25 1.08 -1.04 0.07 117.51 121.23 2psf h ILE 163 Ca 0.19 -1.34 -0.07 0.00 -0.39 0.00 0.00 64.86 63.25 2psf h ILE 163 Cb 0.23 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 2psf h ILE 163 CO -0.01 0.45 0.16 0.00 -0.69 0.00 0.00 178.15 178.06 2psf h ALA 164 N 0.81 0.90 -0.36 1.87 0.00 -1.23 -2.07 119.26 119.18 2psf h ALA 164 Ca 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2psf h ALA 164 Cb 0.76 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2psf h ALA 164 CO 0.06 0.63 0.16 1.25 0.00 0.00 0.00 179.25 181.35 2psf h LEU 165 N 1.03 0.48 -1.18 0.00 5.85 -0.41 -2.86 115.31 118.22 2psf h LEU 165 Ca 0.21 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2psf h LEU 165 Cb 0.38 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2psf h LEU 165 CO 0.00 0.49 0.30 0.40 -0.34 0.00 0.00 178.44 179.30 2psf h ILE 166 N 0.44 1.20 0.00 4.05 2.04 -0.74 -2.36 117.51 122.14 2psf h ILE 166 Ca 0.12 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2psf h ILE 166 Cb 0.14 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2psf h ILE 166 CO -0.01 0.23 0.00 0.11 0.00 0.00 0.00 178.15 178.48 2psf h LYS 167 N 0.87 0.00 -7.60 2.37 1.57 -1.30 -3.34 116.57 109.14 2psf h LYS 167 Ca 0.22 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.54 2psf h LYS 167 Cb 0.08 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.53 2psf h LYS 167 CO -0.03 0.00 0.32 -1.54 -0.57 0.00 0.00 179.45 177.63 2psf s SER 168 N -5.09 3.40 0.62 0.86 1.04 -0.91 -4.92 113.70 108.70 2psf s SER 168 Ca 0.08 -0.03 0.37 0.00 0.48 0.00 0.00 55.95 56.85 2psf s SER 168 Cb 0.10 -0.07 2.08 0.00 0.10 0.00 0.00 66.02 68.22 2psf s SER 168 CO 0.59 -2.52 2.30 -0.33 0.98 0.00 0.00 173.24 174.25 2psf h GLU 169 N -1.32 0.00 0.00 4.02 5.08 -1.88 -0.31 114.58 120.17 2psf h GLU 169 Ca -0.41 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 2psf h GLU 169 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2psf h GLU 169 CO 0.36 0.01 -0.05 1.49 -1.00 0.00 0.00 179.01 179.81 2psf h GLU 170 N 0.00 0.00 -0.69 2.33 4.57 -1.90 -2.90 114.58 115.98 2psf h GLU 170 Ca -0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2psf h GLU 170 Cb 0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 2psf h GLU 170 CO 0.00 0.05 0.37 0.78 -1.18 0.00 0.00 179.01 179.03 2psf h GLY 171 N 0.31 1.01 1.06 1.92 0.00 -0.77 -0.81 103.07 105.80 2psf h GLY 171 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2psf h GLY 171 CO 0.01 0.13 0.52 0.83 0.00 0.00 0.00 176.54 178.03 2psf h GLU 172 N 0.67 1.24 0.29 4.80 3.07 -1.69 -1.28 114.58 121.67 2psf h GLU 172 Ca 0.32 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 2psf h GLU 172 Cb 0.24 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 2psf h GLU 172 CO -0.21 0.88 -0.14 0.87 -1.40 0.00 0.00 179.01 179.02 2psf h LYS 173 N 1.25 -0.37 -0.70 2.33 6.56 -1.51 0.22 116.57 124.35 2psf h LYS 173 Ca 0.32 0.03 0.10 0.00 -1.06 0.00 0.00 60.65 60.04 2psf h LYS 173 Cb -0.02 0.08 -0.08 0.00 -0.57 0.00 0.00 32.23 31.65 2psf h LYS 173 CO -0.06 -0.12 0.32 0.52 -2.06 0.00 0.00 179.45 178.06 2psf h MET 174 N -0.59 0.52 0.00 3.15 2.86 -0.98 -1.94 114.93 117.96 2psf h MET 174 Ca -0.04 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 2psf h MET 174 Cb 0.43 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2psf h MET 174 CO 0.06 0.35 -1.32 0.28 1.06 0.00 0.00 176.91 177.34 2psf n VAL 175 N -4.91 1.50 -0.04 -2.22 0.31 -0.50 -1.17 118.33 111.29 2psf n VAL 175 Ca 0.11 0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.39 2psf n VAL 175 Cb 0.30 -2.22 0.13 0.00 -0.91 0.00 0.00 33.84 31.14 2psf n VAL 175 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2psf h LEU 176 N -1.00 0.66 0.05 7.52 3.38 -0.70 0.41 115.31 125.63 2psf h LEU 176 Ca -0.20 -0.24 -0.26 0.00 0.09 0.00 0.00 57.88 57.27 2psf h LEU 176 Cb 1.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2psf h LEU 176 CO -0.12 0.89 -1.41 -0.33 0.09 0.00 0.00 178.44 177.56 2psf h GLU 177 N 0.57 0.11 -0.02 1.13 5.08 -1.24 -0.24 114.58 119.98 2psf h GLU 177 Ca 0.08 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2psf h GLU 177 Cb 0.72 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2psf h GLU 177 CO 0.06 1.09 -0.11 0.09 -1.00 0.00 0.00 179.01 179.14 2psf n ASN 178 N -4.12 2.17 -3.73 1.42 5.03 -0.76 -4.89 115.26 110.38 2psf n ASN 178 Ca -0.30 -1.58 -0.25 0.00 0.87 0.00 0.00 54.58 53.32 2psf n ASN 178 Cb 0.80 0.15 0.05 0.00 -1.02 0.00 0.00 39.78 39.76 2psf n ASN 178 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2psf n ASN 179 N 0.61 -4.39 -0.29 6.41 5.15 0.13 -4.76 115.26 118.12 2psf n ASN 179 Ca 0.09 -0.70 0.12 0.00 -0.60 0.00 0.00 54.58 53.49 2psf n ASN 179 Cb 0.40 -4.40 0.28 0.00 -0.53 0.00 0.00 39.78 35.53 2psf n ASN 179 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2psf h PHE 180 N -2.23 0.51 -0.05 1.20 3.57 -1.32 0.17 116.94 118.80 2psf h PHE 180 Ca -0.58 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 60.78 2psf h PHE 180 Cb 1.37 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 2psf h PHE 180 CO 0.52 -0.09 -0.75 0.74 -2.23 0.00 0.00 178.31 176.49 2psf h PHE 181 N 0.33 0.40 0.08 0.41 0.04 -1.89 -1.32 116.94 114.99 2psf h PHE 181 Ca 0.53 -0.18 -0.21 0.00 2.80 0.00 0.00 57.97 60.91 2psf h PHE 181 Cb 1.01 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.10 2psf h PHE 181 CO -0.19 0.93 -1.06 0.28 -0.60 0.00 0.00 178.31 177.68 2psf h VAL 182 N 0.19 1.22 0.00 -0.55 2.07 -1.74 -0.53 116.25 116.91 2psf h VAL 182 Ca -0.03 -2.38 -0.17 0.00 0.82 0.00 0.00 66.70 64.95 2psf h VAL 182 Cb 1.32 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.89 2psf h VAL 182 CO 0.12 0.62 -0.79 -0.33 0.02 0.00 0.00 177.57 177.22 2psf h GLU 183 N -0.55 0.00 0.00 1.57 4.39 -1.09 -3.38 114.58 115.52 2psf h GLU 183 Ca -0.24 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 2psf h GLU 183 Cb 1.54 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.19 2psf h GLU 183 CO 0.02 0.79 -0.36 2.41 -1.16 0.00 0.00 179.01 180.70 2psf n THR 184 N -3.36 1.16 -0.05 1.13 -1.04 -0.75 -4.72 114.28 106.66 2psf n THR 184 Ca 0.00 0.29 -0.11 0.00 -2.04 0.00 0.00 64.05 62.19 2psf n THR 184 Cb 0.83 -1.73 -0.06 0.00 -1.82 0.00 0.00 70.33 67.56 2psf n THR 184 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2psf h VAL 185 N -0.21 1.23 0.49 12.58 2.07 -1.29 -2.54 116.25 128.58 2psf h VAL 185 Ca -0.02 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2psf h VAL 185 Cb 0.33 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2psf h VAL 185 CO -0.01 0.22 -0.44 0.25 0.02 0.00 0.00 177.57 177.61 2psf h LEU 186 N 0.05 -1.18 -1.39 2.57 6.46 -1.26 -0.81 115.31 119.75 2psf h LEU 186 Ca 0.05 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 2psf h LEU 186 Cb 0.31 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 2psf h LEU 186 CO 0.00 -0.61 -0.28 1.55 -0.62 0.00 0.00 178.44 178.48 2psf h PRO 187 N -0.93 0.04 0.00 5.25 0.13 -1.75 -2.57 132.00 132.18 2psf h PRO 187 Ca -0.05 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 2psf h PRO 187 Cb 0.80 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2psf h PRO 187 CO -0.03 0.32 -0.27 0.66 -0.23 0.00 0.00 178.00 178.45 2psf h SER 188 N 0.04 0.00 -0.49 1.44 4.64 -1.09 -3.12 113.55 114.98 2psf h SER 188 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 2psf h SER 188 Cb 0.52 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.52 2psf h SER 188 CO 0.04 0.27 0.11 0.29 -0.87 0.00 0.00 176.83 176.66 2psf n LYS 189 N -3.76 2.88 -5.09 4.77 4.76 -0.34 -4.78 118.16 116.60 2psf n LYS 189 Ca -0.01 -3.03 -0.32 0.00 -2.87 0.00 0.00 58.31 52.07 2psf n LYS 189 Cb 0.37 -1.98 -0.17 0.00 -1.84 0.00 0.00 35.03 31.41 2psf n LYS 189 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2psf s ILE 190 N -3.03 2.15 0.09 -0.18 1.01 -1.14 -2.12 121.20 117.98 2psf s ILE 190 Ca 0.48 -0.98 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 2psf s ILE 190 Cb 0.40 -1.83 -0.18 0.00 0.01 0.00 0.00 42.46 40.86 2psf s ILE 190 CO 0.08 0.55 1.27 0.24 0.00 0.00 0.00 174.94 177.08 2psf h MET 191 N 6.81 0.74 -7.57 2.79 2.86 -1.86 -3.46 114.93 115.25 2psf h MET 191 Ca -0.22 -0.65 -0.47 0.00 -2.06 0.00 0.00 59.70 56.30 2psf h MET 191 Cb 1.23 0.15 0.11 0.00 0.06 0.00 0.00 31.60 33.15 2psf h MET 191 CO 0.49 1.25 0.37 -0.98 1.06 0.00 0.00 176.91 179.11 2psf s ARG 192 N -3.64 1.77 -0.00 1.72 1.70 -1.26 -5.04 118.95 114.20 2psf s ARG 192 Ca -0.11 0.20 -0.27 0.00 -0.47 0.00 0.00 55.73 55.08 2psf s ARG 192 Cb 0.08 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.50 2psf s ARG 192 CO 0.90 -1.75 0.86 0.21 -1.08 0.00 0.00 175.30 174.45 2psf s LYS 193 N -5.46 4.53 0.20 3.89 2.36 -1.26 -5.05 119.74 118.95 2psf s LYS 193 Ca 0.62 1.21 -0.28 0.00 -2.55 0.00 0.00 55.97 54.98 2psf s LYS 193 Cb -0.12 -3.44 -0.08 0.00 -1.05 0.00 0.00 37.83 33.14 2psf s LYS 193 CO 0.51 0.05 0.86 -0.51 1.55 0.00 0.00 175.35 177.81 2psf s LEU 194 N 0.72 4.62 0.64 5.43 1.43 -1.26 -5.06 118.68 125.20 2psf s LEU 194 Ca 0.45 1.80 -0.17 0.00 -1.03 0.00 0.00 54.13 55.18 2psf s LEU 194 Cb -0.20 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2psf s LEU 194 CO 0.24 0.18 1.20 -1.61 0.23 0.00 0.00 176.35 176.60 2psf s GLU 195 N -1.13 2.71 0.33 1.70 0.41 -1.26 -4.80 118.70 116.67 2psf s GLU 195 Ca 0.39 1.78 0.10 0.00 -0.41 0.00 0.00 54.97 56.83 2psf s GLU 195 Cb -0.25 -1.90 0.85 0.00 -1.78 0.00 0.00 34.13 31.05 2psf s GLU 195 CO 0.29 -1.40 1.79 -1.35 -0.49 0.00 0.00 175.26 174.10 2psf h PRO 196 N 0.47 0.63 -0.05 0.39 0.11 -1.99 -1.05 132.00 130.51 2psf h PRO 196 Ca -0.49 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.44 2psf h PRO 196 Cb 1.30 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2psf h PRO 196 CO 0.53 0.42 -0.57 0.93 -0.21 0.00 0.00 178.00 179.10 2psf h GLU 197 N 0.65 0.17 -0.07 1.05 3.07 -1.98 -0.75 114.58 116.71 2psf h GLU 197 Ca 0.57 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.36 59.28 2psf h GLU 197 Cb 1.04 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.96 2psf h GLU 197 CO -0.34 0.69 -0.10 0.93 -1.40 0.00 0.00 179.01 178.79 2psf h GLU 198 N 0.13 0.20 -0.92 2.33 5.08 -1.56 -2.33 114.58 117.50 2psf h GLU 198 Ca -0.00 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2psf h GLU 198 Cb 1.05 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.24 2psf h GLU 198 CO 0.08 0.66 0.58 0.35 -1.00 0.00 0.00 179.01 179.68 2psf h PHE 199 N -0.25 1.07 -0.32 4.33 3.57 -1.20 -2.36 116.94 121.78 2psf h PHE 199 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2psf h PHE 199 Cb 0.64 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 2psf h PHE 199 CO 0.10 0.53 0.18 0.00 -2.23 0.00 0.00 178.31 176.88 2psf h ALA 200 N 1.44 1.71 -0.21 2.41 0.00 -1.00 -0.42 119.26 123.18 2psf h ALA 200 Ca 0.41 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 2psf h ALA 200 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2psf h ALA 200 CO -0.19 0.25 -0.29 0.00 0.00 0.00 0.00 179.25 179.02 2psf h ALA 201 N 1.75 1.11 0.05 0.00 0.00 -0.87 -0.55 119.26 120.77 2psf h ALA 201 Ca 0.12 -0.36 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 2psf h ALA 201 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2psf h ALA 201 CO -0.02 0.56 -1.06 1.88 0.00 0.00 0.00 179.25 180.61 2psf h TYR 202 N 0.36 0.56 -0.15 0.00 0.05 -1.20 -3.31 116.97 113.28 2psf h TYR 202 Ca 0.05 -0.34 -0.15 0.00 0.05 0.00 0.00 58.73 58.34 2psf h TYR 202 Cb 0.70 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 2psf h TYR 202 CO 0.02 1.20 -0.53 1.25 -1.05 0.00 0.00 178.16 179.05 2psf h LEU 203 N 0.17 0.47 -0.52 3.88 5.85 -0.94 -3.39 115.31 120.84 2psf h LEU 203 Ca -0.10 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.48 2psf h LEU 203 Cb 1.72 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 42.53 2psf h LEU 203 CO 0.18 0.91 -0.06 -0.08 -0.34 0.00 0.00 178.44 179.05 2psf h GLU 204 N 0.33 0.06 0.00 1.25 4.57 -1.19 0.19 114.58 119.79 2psf h GLU 204 Ca 0.01 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2psf h GLU 204 Cb 1.04 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 2psf h GLU 204 CO 0.09 0.04 -0.05 -1.35 -1.18 0.00 0.00 179.01 176.56 2psf h PRO 205 N 0.06 0.00 -0.15 0.92 0.11 -1.80 -2.90 132.00 128.23 2psf h PRO 205 Ca 0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.32 2psf h PRO 205 Cb 0.40 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 2psf h PRO 205 CO -0.48 0.05 -0.11 1.19 -0.21 0.00 0.00 178.00 178.44 2psf n PHE 206 N -4.01 0.51 0.04 0.65 3.72 0.51 -4.73 117.46 114.15 2psf n PHE 206 Ca -0.03 -1.20 -0.05 0.00 -0.05 0.00 0.00 57.45 56.12 2psf n PHE 206 Cb 0.13 -0.29 0.14 0.00 -0.94 0.00 0.00 39.48 38.52 2psf n PHE 206 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2psf h LYS 207 N 0.89 0.42 -6.92 -1.08 3.11 -0.89 -3.43 116.57 108.67 2psf h LYS 207 Ca 0.05 -0.22 -0.46 0.00 -2.81 0.00 0.00 60.65 57.21 2psf h LYS 207 Cb 1.28 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.49 2psf h LYS 207 CO 0.15 0.79 0.32 -1.21 -2.81 0.00 0.00 179.45 176.69 2psf s GLU 208 N -4.13 4.43 0.61 1.90 8.01 -1.26 -5.05 118.70 123.22 2psf s GLU 208 Ca -0.06 1.21 -0.17 0.00 0.01 0.00 0.00 54.97 55.96 2psf s GLU 208 Cb 0.12 -2.59 -0.02 0.00 -4.31 0.00 0.00 34.13 27.34 2psf s GLU 208 CO 0.81 0.18 1.13 0.21 0.01 0.00 0.00 175.26 177.59 2psf s LYS 209 N -2.45 2.99 0.00 1.61 2.47 -1.26 -4.70 119.74 118.40 2psf s LYS 209 Ca 0.54 1.52 0.00 0.00 -1.56 0.00 0.00 55.97 56.47 2psf s LYS 209 Cb -0.15 -1.96 0.00 0.00 -1.46 0.00 0.00 37.83 34.26 2psf s LYS 209 CO 0.20 -1.12 0.00 0.41 0.16 0.00 0.00 175.35 174.99 2psf n GLY 210 N -0.16 0.55 0.29 5.54 0.00 -0.10 -4.60 105.19 106.71 2psf n GLY 210 Ca 0.11 -1.73 0.16 0.00 0.00 0.00 0.00 46.02 44.56 2psf n GLY 210 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2psf h GLU 211 N 0.00 0.00 -0.00 1.61 4.57 -1.91 -1.23 114.58 117.63 2psf h GLU 211 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2psf h GLU 211 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2psf h GLU 211 CO 0.00 0.05 0.01 -0.24 -1.18 0.00 0.00 179.01 177.64 2psf h VAL 212 N 0.00 0.27 -0.01 0.32 3.04 -1.87 -0.63 116.25 117.37 2psf h VAL 212 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2psf h VAL 212 Cb 0.17 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2psf h VAL 212 CO 0.01 0.00 -0.03 0.54 -1.01 0.00 0.00 177.57 177.07 2psf n ARG 213 N -3.47 1.09 -0.30 4.17 1.74 -0.46 -4.46 116.66 114.97 2psf n ARG 213 Ca -0.03 -0.35 0.11 0.00 -0.77 0.00 0.00 57.85 56.81 2psf n ARG 213 Cb 0.08 -1.49 0.28 0.00 -1.02 0.00 0.00 32.46 30.31 2psf n ARG 213 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2psf h ARG 214 N 0.85 0.43 -0.57 5.56 9.65 -1.29 -0.96 114.38 128.05 2psf h ARG 214 Ca 0.00 -0.03 0.10 0.00 -1.10 0.00 0.00 59.98 58.95 2psf h ARG 214 Cb 0.26 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 2psf h ARG 214 CO 0.00 0.28 0.38 -1.35 2.80 0.00 0.00 179.97 182.09 2psf h PRO 215 N 0.44 0.34 0.00 0.20 0.11 -1.83 0.11 132.00 131.37 2psf h PRO 215 Ca 0.52 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2psf h PRO 215 Cb 0.93 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2psf h PRO 215 CO -0.49 0.22 0.00 1.79 -0.21 0.00 0.00 178.00 179.32 2psf h THR 216 N 0.35 0.00 0.10 -1.15 1.35 -1.52 -2.34 112.91 109.70 2psf h THR 216 Ca 0.26 -0.57 -0.36 0.00 -0.55 0.00 0.00 66.41 65.19 2psf h THR 216 Cb 0.57 1.52 -0.03 0.00 -1.73 0.00 0.00 68.15 68.48 2psf h THR 216 CO -0.07 0.00 -2.02 -0.11 -0.25 0.00 0.00 175.52 173.07 2psf n LEU 217 N -2.62 2.43 -0.03 3.87 7.94 -0.42 -4.41 117.00 123.77 2psf n LEU 217 Ca 0.04 0.19 -0.05 0.00 -1.11 0.00 0.00 56.01 55.08 2psf n LEU 217 Cb 0.40 -0.92 0.16 0.00 0.53 0.00 0.00 43.42 43.58 2psf n LEU 217 CO 0.29 0.80 0.72 0.28 -1.11 0.00 0.00 177.39 178.37 2psf h SER 218 N 0.06 0.60 0.52 1.96 0.02 -0.76 -3.05 113.55 112.89 2psf h SER 218 Ca -0.43 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.30 2psf h SER 218 Cb 2.02 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 64.38 2psf h SER 218 CO 0.07 0.83 -0.41 -0.50 -1.14 0.00 0.00 176.83 175.68 2psf h TRP 219 N 0.52 -1.11 0.00 3.45 -0.00 -1.63 -2.70 115.95 114.48 2psf h TRP 219 Ca 0.08 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.94 2psf h TRP 219 Cb 0.70 0.42 -0.00 0.00 -0.00 0.00 0.00 29.16 30.27 2psf h TRP 219 CO 0.03 -0.59 -0.10 -1.00 -0.00 0.00 0.00 178.44 176.78 2psf h PRO 220 N -0.91 0.00 0.00 0.49 0.13 -1.77 -0.76 132.00 129.17 2psf h PRO 220 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2psf h PRO 220 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2psf h PRO 220 CO -0.00 0.10 0.00 0.54 -0.23 0.00 0.00 178.00 178.40 2psf n ARG 221 N -3.62 0.14 0.00 0.86 1.74 -1.04 -1.88 116.66 112.85 2psf n ARG 221 Ca -0.02 0.41 0.15 0.00 -0.77 0.00 0.00 57.85 57.61 2psf n ARG 221 Cb 0.22 -1.78 0.68 0.00 -1.02 0.00 0.00 32.46 30.56 2psf n ARG 221 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2psf n GLU 222 N -2.04 0.73 -1.64 5.56 -0.58 -0.29 -4.63 120.64 117.75 2psf n GLU 222 Ca 0.02 -0.19 -0.53 0.00 -0.42 0.00 0.00 57.16 56.04 2psf n GLU 222 Cb 0.19 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.50 2psf n GLU 222 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 2psf n ILE 223 N -0.97 0.13 -1.42 -3.67 3.06 -0.79 -4.71 119.36 111.00 2psf n ILE 223 Ca 0.16 -0.02 -0.40 0.00 -2.50 0.00 0.00 62.75 59.99 2psf n ILE 223 Cb 0.25 -1.08 -0.02 0.00 0.54 0.00 0.00 39.64 39.33 2psf n ILE 223 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 2psf n PRO 224 N 3.77 3.51 -2.47 9.51 -0.04 -1.26 -4.24 135.00 143.78 2psf n PRO 224 Ca 0.21 -2.31 -0.42 0.00 -0.04 0.00 0.00 63.50 60.94 2psf n PRO 224 Cb 0.19 -2.92 -0.03 0.00 -0.04 0.00 0.00 33.50 30.70 2psf n PRO 224 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2psf s LEU 225 N 0.65 4.37 0.23 1.53 1.43 -1.26 -0.87 118.68 124.76 2psf s LEU 225 Ca 0.64 1.96 -0.07 0.00 -1.03 0.00 0.00 54.13 55.63 2psf s LEU 225 Cb 0.17 -3.58 0.19 0.00 0.03 0.00 0.00 46.19 43.01 2psf s LEU 225 CO -0.07 -0.44 1.82 0.58 0.23 0.00 0.00 176.35 178.48 2psf h VAL 226 N 4.56 1.26 -3.40 -1.59 2.07 -1.52 -0.78 116.25 116.85 2psf h VAL 226 Ca -0.41 -0.73 -0.72 0.00 0.82 0.00 0.00 66.70 65.65 2psf h VAL 226 Cb 1.21 0.17 -0.21 0.00 -1.52 0.00 0.00 31.29 30.95 2psf h VAL 226 CO 0.80 0.32 -0.29 -0.54 0.02 0.00 0.00 177.57 177.88 2psf s LYS 227 N -5.69 3.02 0.00 1.57 1.02 -1.26 -4.47 119.74 113.93 2psf s LYS 227 Ca -0.12 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.79 2psf s LYS 227 Cb 0.16 -4.05 0.00 0.00 -0.52 0.00 0.00 37.83 33.42 2psf s LYS 227 CO 0.83 -0.93 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2psf n GLY 228 N 5.17 0.87 3.82 -3.33 0.00 -1.26 -5.06 105.19 105.40 2psf n GLY 228 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2psf n GLY 228 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2psf s GLY 229 N -1.81 1.90 -0.19 -0.02 0.00 -0.30 -4.94 107.32 101.96 2psf s GLY 229 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 44.72 44.63 2psf s GLY 229 CO 0.00 0.53 2.13 0.28 0.00 0.00 0.00 173.10 176.03 2psf n LYS 230 N -2.52 1.91 -0.06 2.90 4.76 -1.26 -4.85 118.16 119.03 2psf n LYS 230 Ca 0.08 0.59 0.10 0.00 -2.87 0.00 0.00 58.31 56.21 2psf n LYS 230 Cb 0.53 -2.93 0.49 0.00 -1.84 0.00 0.00 35.03 31.28 2psf n LYS 230 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2psf h PRO 231 N 12.88 0.42 -0.52 1.97 0.13 -1.93 -1.24 132.00 143.70 2psf h PRO 231 Ca -0.40 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 2psf h PRO 231 Cb 1.26 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2psf h PRO 231 CO 0.97 0.28 -0.09 0.38 -0.23 0.00 0.00 178.00 179.31 2psf h ASP 232 N 0.43 0.98 -0.44 1.44 3.04 -2.00 -1.90 116.42 117.97 2psf h ASP 232 Ca 0.25 -0.34 -0.14 0.00 -3.24 0.00 0.00 57.03 53.55 2psf h ASP 232 Cb 0.42 -0.27 -0.01 0.00 -1.04 0.00 0.00 39.33 38.44 2psf h ASP 232 CO -0.07 1.09 -0.27 0.58 -2.04 0.00 0.00 179.24 178.53 2psf h VAL 233 N 0.85 1.27 -0.93 4.15 2.07 -1.71 -2.13 116.25 119.81 2psf h VAL 233 Ca 0.14 -1.44 0.09 0.00 0.82 0.00 0.00 66.70 66.31 2psf h VAL 233 Cb 0.64 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 2psf h VAL 233 CO 0.04 0.49 0.57 0.58 0.02 0.00 0.00 177.57 179.28 2psf h VAL 234 N 0.82 0.97 -0.31 2.57 2.07 -1.10 -0.64 116.25 120.64 2psf h VAL 234 Ca 0.09 -0.33 -0.18 0.00 0.82 0.00 0.00 66.70 67.10 2psf h VAL 234 Cb 0.86 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2psf h VAL 234 CO 0.08 0.18 -0.51 -0.61 0.02 0.00 0.00 177.57 176.72 2psf h GLN 235 N 0.97 0.89 -0.48 1.57 5.75 -1.22 -0.33 115.11 122.27 2psf h GLN 235 Ca 0.44 -0.55 0.06 0.00 -0.15 0.00 0.00 58.65 58.45 2psf h GLN 235 Cb 0.34 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.90 2psf h GLN 235 CO -0.23 1.19 0.19 0.82 -2.65 0.00 0.00 178.83 178.15 2psf h ILE 236 N 0.69 0.88 -0.30 2.39 2.04 -0.74 -0.06 117.51 122.42 2psf h ILE 236 Ca 0.02 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.62 2psf h ILE 236 Cb 1.12 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2psf h ILE 236 CO 0.12 0.07 -0.32 0.58 0.00 0.00 0.00 178.15 178.60 2psf h VAL 237 N 0.39 1.30 -0.60 1.67 2.07 -1.00 -1.59 116.25 118.49 2psf h VAL 237 Ca 0.22 -1.50 0.07 0.00 0.82 0.00 0.00 66.70 66.31 2psf h VAL 237 Cb 0.20 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 2psf h VAL 237 CO -0.21 0.48 0.29 0.03 0.02 0.00 0.00 177.57 178.19 2psf h ARG 238 N 0.49 0.52 -0.02 1.57 3.08 -0.84 0.46 114.38 119.64 2psf h ARG 238 Ca 0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2psf h ARG 238 Cb 0.90 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 2psf h ARG 238 CO 0.08 0.34 0.01 -0.91 -1.07 0.00 0.00 179.97 178.42 2psf h ASN 239 N 0.53 0.03 0.82 7.04 2.35 -0.79 -2.30 115.58 123.25 2psf h ASN 239 Ca 0.28 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.79 2psf h ASN 239 Cb 0.25 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2psf h ASN 239 CO -0.22 0.15 -0.56 0.10 -1.65 0.00 0.00 177.43 175.25 2psf h TYR 240 N -0.09 0.00 -0.37 1.19 -0.00 -1.12 -2.49 116.97 114.09 2psf h TYR 240 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.70 2psf h TYR 240 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.84 2psf h TYR 240 CO -0.03 0.56 0.09 -0.97 -0.00 0.00 0.00 178.16 177.81 2psf h ASN 241 N 0.00 0.57 -0.69 0.10 -0.73 -0.83 0.16 115.58 114.17 2psf h ASN 241 Ca -0.01 -0.24 -0.00 0.00 1.87 0.00 0.00 56.30 57.93 2psf h ASN 241 Cb 1.12 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 39.53 2psf h ASN 241 CO 0.07 0.66 0.42 0.00 -0.37 0.00 0.00 177.43 178.21 2psf h ALA 242 N 0.93 0.88 -0.37 1.57 0.00 -1.34 -1.05 119.26 119.88 2psf h ALA 242 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2psf h ALA 242 Cb 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2psf h ALA 242 CO 0.00 0.34 0.20 -0.92 0.00 0.00 0.00 179.25 178.88 2psf h TYR 243 N 0.94 0.51 -0.55 0.00 3.20 -1.22 -2.89 116.97 116.95 2psf h TYR 243 Ca 0.25 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 2psf h TYR 243 Cb -0.04 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2psf h TYR 243 CO -0.02 0.40 0.13 -0.07 -1.64 0.00 0.00 178.16 176.96 2psf h LEU 244 N 0.47 0.79 -2.01 2.82 3.38 -0.66 -2.38 115.31 117.73 2psf h LEU 244 Ca 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2psf h LEU 244 Cb 0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2psf h LEU 244 CO -0.02 0.78 -0.10 0.03 0.09 0.00 0.00 178.44 179.22 2psf h ARG 245 N 0.82 0.00 -0.26 1.13 3.08 -1.00 -2.72 114.38 115.43 2psf h ARG 245 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2psf h ARG 245 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2psf h ARG 245 CO -0.00 0.10 0.00 0.00 -1.07 0.00 0.00 179.97 179.00 2psf n ALA 246 N -2.34 2.43 -2.04 0.04 0.00 -0.92 -4.38 120.51 113.31 2psf n ALA 246 Ca -0.02 -0.89 -0.40 0.00 0.00 0.00 0.00 53.44 52.12 2psf n ALA 246 Cb 0.20 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 2psf n ALA 246 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2psf n SER 247 N 1.46 7.52 -0.18 0.00 3.41 -1.03 -4.76 113.62 120.05 2psf n SER 247 Ca 0.18 -3.12 0.16 0.00 -0.26 0.00 0.00 58.87 55.83 2psf n SER 247 Cb 0.61 -1.39 0.51 0.00 -0.26 0.00 0.00 64.21 63.68 2psf n SER 247 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2psf h ASP 248 N 4.83 0.38 -0.16 4.04 3.45 -1.86 -2.26 116.42 124.84 2psf h ASP 248 Ca 0.65 0.02 0.00 0.00 0.43 0.00 0.00 57.03 58.14 2psf h ASP 248 Cb 0.36 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 2psf h ASP 248 CO 1.52 0.19 0.00 0.47 -1.57 0.00 0.00 179.24 179.84 2psf n ASP 249 N -4.48 2.11 -4.38 6.45 8.00 -1.26 -4.58 116.55 118.42 2psf n ASP 249 Ca 0.15 -1.75 -0.42 0.00 0.71 0.00 0.00 54.79 53.48 2psf n ASP 249 Cb 0.57 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.47 2psf n ASP 249 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2psf s LEU 250 N -1.68 5.02 0.29 0.64 2.96 -0.85 -5.07 118.68 119.99 2psf s LEU 250 Ca 0.34 -1.10 -0.29 0.00 -0.22 0.00 0.00 54.13 52.86 2psf s LEU 250 Cb 0.19 -2.08 -0.10 0.00 0.50 0.00 0.00 46.19 44.71 2psf s LEU 250 CO 0.29 -0.47 1.31 -2.84 -1.32 0.00 0.00 176.35 173.32 2psf s PRO 251 N 1.58 4.38 0.06 0.98 0.02 -1.26 -4.72 135.00 136.03 2psf s PRO 251 Ca 0.03 2.16 0.03 0.00 0.02 0.00 0.00 61.00 63.24 2psf s PRO 251 Cb -0.20 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 2psf s PRO 251 CO 0.07 -0.20 -0.10 0.15 -0.33 0.00 0.00 177.00 176.59 2psf s LYS 252 N -1.22 0.65 -0.09 5.54 1.02 0.14 -2.02 119.74 123.76 2psf s LYS 252 Ca 0.51 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.66 2psf s LYS 252 Cb -0.39 -0.49 0.02 0.00 -0.52 0.00 0.00 37.83 36.45 2psf s LYS 252 CO 0.48 0.10 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.71 2psf s LEU 253 N -1.71 1.55 -0.20 3.17 2.96 -0.55 -1.06 118.68 122.84 2psf s LEU 253 Ca -0.06 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 2psf s LEU 253 Cb -0.09 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 2psf s LEU 253 CO 0.01 -0.01 -0.03 0.12 -1.32 0.00 0.00 176.35 175.12 2psf s PHE 254 N 0.99 2.98 -0.42 5.38 5.36 0.05 -0.88 117.98 131.44 2psf s PHE 254 Ca -0.08 -0.66 -0.13 0.00 -0.96 0.00 0.00 56.93 55.10 2psf s PHE 254 Cb -0.15 -2.07 0.04 0.00 -0.34 0.00 0.00 43.02 40.51 2psf s PHE 254 CO -0.00 -0.35 0.29 0.42 -1.46 0.00 0.00 175.22 174.11 2psf s ILE 255 N 1.11 4.92 0.16 3.12 1.01 -0.60 -1.88 121.20 129.04 2psf s ILE 255 Ca 0.02 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 59.50 2psf s ILE 255 Cb -0.15 -3.82 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 2psf s ILE 255 CO 0.00 -0.38 0.78 -0.70 0.00 0.00 0.00 174.94 174.64 2psf s GLU 256 N 1.60 4.57 -0.15 2.79 2.12 -0.04 -4.35 118.70 125.24 2psf s GLU 256 Ca 0.04 1.16 -0.07 0.00 0.36 0.00 0.00 54.97 56.45 2psf s GLU 256 Cb -0.21 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2psf s GLU 256 CO 0.07 0.54 0.10 0.45 -0.54 0.00 0.00 175.26 175.89 2psf s SER 257 N -1.05 6.03 -0.16 -1.70 0.15 -1.26 -1.13 113.70 114.57 2psf s SER 257 Ca 0.36 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2psf s SER 257 Cb -0.23 -1.96 0.03 0.00 -1.71 0.00 0.00 66.02 62.15 2psf s SER 257 CO 0.26 0.31 -0.10 -0.62 1.20 0.00 0.00 173.24 174.28 2psf s ASP 258 N -0.42 2.89 0.17 5.45 2.15 -0.19 -2.04 116.67 124.68 2psf s ASP 258 Ca 0.11 -0.63 0.24 0.00 0.43 0.00 0.00 52.55 52.70 2psf s ASP 258 Cb -0.12 -1.11 0.91 0.00 -0.30 0.00 0.00 42.92 42.31 2psf s ASP 258 CO 0.02 -0.12 1.73 -0.81 -0.17 0.00 0.00 175.17 175.82 2psf n PRO 259 N 4.78 0.17 -0.18 4.34 -0.04 -1.01 -1.51 135.00 141.55 2psf n PRO 259 Ca -0.15 0.26 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 2psf n PRO 259 Cb 0.48 -1.75 -0.01 0.00 -0.04 0.00 0.00 33.50 32.19 2psf n PRO 259 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2psf n GLY 260 N 0.69 -1.61 0.64 0.55 0.00 0.03 -4.67 105.19 100.81 2psf n GLY 260 Ca 0.04 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 2psf n GLY 260 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2psf n PHE 261 N -1.92 0.00 -0.34 1.61 7.35 -1.15 -4.68 117.46 118.32 2psf n PHE 261 Ca -0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 2psf n PHE 261 Cb 0.08 -0.08 0.09 0.00 0.35 0.00 0.00 39.48 39.93 2psf n PHE 261 CO 0.00 0.00 0.00 1.97 -0.76 0.00 0.00 176.76 177.97 2psf n PHE 262 N -3.04 0.22 -0.23 -5.13 1.16 -1.26 -4.50 117.46 104.68 2psf n PHE 262 Ca -0.02 -0.63 0.01 0.00 -1.87 0.00 0.00 57.45 54.94 2psf n PHE 262 Cb 0.08 -0.09 0.09 0.00 -1.61 0.00 0.00 39.48 37.95 2psf n PHE 262 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 2psf h SER 263 N 0.72 -0.55 -0.96 5.98 0.02 -1.88 -1.47 113.55 115.40 2psf h SER 263 Ca 0.00 0.20 0.08 0.00 -0.84 0.00 0.00 61.79 61.22 2psf h SER 263 Cb 0.75 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 63.61 2psf h SER 263 CO 0.02 -0.21 0.61 0.78 -1.14 0.00 0.00 176.83 176.90 2psf h ASN 264 N 0.02 0.96 1.23 3.07 -0.26 -1.84 -1.15 115.58 117.61 2psf h ASN 264 Ca 0.33 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 56.05 2psf h ASN 264 Cb 0.53 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 2psf h ASN 264 CO -0.67 0.59 -0.20 0.00 -1.06 0.00 0.00 177.43 176.09 2psf h ALA 265 N 1.46 0.95 -0.00 -0.83 0.00 -1.38 -3.33 119.26 116.13 2psf h ALA 265 Ca 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2psf h ALA 265 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2psf h ALA 265 CO -0.19 0.25 -0.53 0.44 0.00 0.00 0.00 179.25 179.22 2psf n ILE 266 N -3.26 0.00 -0.08 0.00 -5.35 -0.84 -4.68 119.36 105.15 2psf n ILE 266 Ca 0.01 -0.24 -0.04 0.00 -0.27 0.00 0.00 62.75 62.22 2psf n ILE 266 Cb 0.48 1.01 0.19 0.00 -1.74 0.00 0.00 39.64 39.58 2psf n ILE 266 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 2psf h VAL 267 N 0.06 1.24 -0.32 7.28 3.04 -1.34 0.07 116.25 126.28 2psf h VAL 267 Ca 0.00 -0.99 -0.09 0.00 -1.01 0.00 0.00 66.70 64.62 2psf h VAL 267 Cb 0.27 0.94 -0.02 0.00 -2.01 0.00 0.00 31.29 30.48 2psf h VAL 267 CO 0.00 0.34 -0.16 -0.33 -1.01 0.00 0.00 177.57 176.41 2psf h GLU 268 N 0.67 0.57 -0.51 4.17 4.39 -1.83 -1.23 114.58 120.80 2psf h GLU 268 Ca 0.13 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2psf h GLU 268 Cb 0.45 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2psf h GLU 268 CO 0.02 0.71 0.05 0.78 -1.16 0.00 0.00 179.01 179.41 2psf h GLY 269 N 0.97 0.94 1.89 -3.84 0.00 -1.62 -2.92 103.07 98.49 2psf h GLY 269 Ca 0.09 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 2psf h GLY 269 CO 0.04 0.61 -0.13 0.00 0.00 0.00 0.00 176.54 177.05 2psf h ALA 270 N 0.96 1.61 0.00 3.60 0.00 -0.64 -2.19 119.26 122.60 2psf h ALA 270 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2psf h ALA 270 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2psf h ALA 270 CO 0.02 0.28 0.00 0.87 0.00 0.00 0.00 179.25 180.42 2psf h LYS 271 N 0.13 0.00 -0.00 0.00 1.79 -1.04 -2.60 116.57 114.85 2psf h LYS 271 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2psf h LYS 271 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2psf h LYS 271 CO 0.02 0.00 -0.09 1.63 -1.08 0.00 0.00 179.45 179.93 2psf n LYS 272 N -2.58 0.47 -3.15 3.15 5.02 -0.82 -4.67 118.16 115.57 2psf n LYS 272 Ca 0.01 -0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 2psf n LYS 272 Cb 0.25 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 2psf n LYS 272 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2psf s PHE 273 N -2.61 3.26 0.83 2.13 0.08 -0.98 -4.46 117.98 116.22 2psf s PHE 273 Ca 0.26 0.68 -0.11 0.00 0.12 0.00 0.00 56.93 57.88 2psf s PHE 273 Cb 0.20 -2.84 0.09 0.00 -0.57 0.00 0.00 43.02 39.90 2psf s PHE 273 CO 0.49 -0.35 1.10 -1.25 -0.10 0.00 0.00 175.22 175.11 2psf s PRO 274 N 2.46 1.78 -1.21 0.24 0.04 -1.26 -3.90 135.00 133.16 2psf s PRO 274 Ca 0.24 1.10 -0.08 0.00 0.04 0.00 0.00 61.00 62.31 2psf s PRO 274 Cb -0.15 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2psf s PRO 274 CO 0.10 -1.96 1.05 -1.71 0.04 0.00 0.00 177.00 174.52 2psf n ASN 275 N -3.73 -5.71 -4.45 6.66 2.85 -1.26 -4.74 115.26 104.88 2psf n ASN 275 Ca 0.09 -0.49 -0.34 0.00 -0.11 0.00 0.00 54.58 53.73 2psf n ASN 275 Cb 0.54 -4.57 -0.13 0.00 1.24 0.00 0.00 39.78 36.86 2psf n ASN 275 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2psf s THR 276 N -3.29 3.64 -0.02 -0.44 2.01 -1.25 -0.69 115.64 115.61 2psf s THR 276 Ca 0.50 -0.44 -0.14 0.00 0.31 0.00 0.00 61.69 61.91 2psf s THR 276 Cb -0.22 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 2psf s THR 276 CO 0.65 0.49 0.37 -0.70 -0.69 0.00 0.00 174.62 174.75 2psf s GLU 277 N 0.46 3.87 -0.13 4.92 2.12 -0.22 -4.97 118.70 124.74 2psf s GLU 277 Ca -0.05 0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.63 2psf s GLU 277 Cb -0.15 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 2psf s GLU 277 CO 0.03 0.69 -0.17 -0.06 -0.54 0.00 0.00 175.26 175.21 2psf s PHE 278 N -1.02 2.74 0.28 5.30 0.08 -1.26 -0.77 117.98 123.33 2psf s PHE 278 Ca 0.23 -0.90 0.03 0.00 0.12 0.00 0.00 56.93 56.41 2psf s PHE 278 Cb -0.16 -1.83 -0.06 0.00 -0.57 0.00 0.00 43.02 40.40 2psf s PHE 278 CO 0.12 -0.37 0.05 0.14 -0.10 0.00 0.00 175.22 175.07 2psf s VAL 279 N 0.53 0.95 -0.02 -0.44 -7.23 -0.79 -5.00 120.40 108.40 2psf s VAL 279 Ca -0.11 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.04 2psf s VAL 279 Cb -0.16 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.17 2psf s VAL 279 CO 0.04 -0.10 0.06 -0.75 -0.31 0.00 0.00 175.10 174.04 2psf s LYS 280 N -3.93 0.06 0.13 4.82 2.20 -1.26 -0.87 119.74 120.90 2psf s LYS 280 Ca 0.35 0.10 0.01 0.00 -0.36 0.00 0.00 55.97 56.07 2psf s LYS 280 Cb 0.08 -0.00 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 2psf s LYS 280 CO 0.13 -0.03 -0.02 0.14 -0.36 0.00 0.00 175.35 175.21 2psf s VAL 281 N 0.17 0.61 0.35 4.02 -7.23 -0.29 -4.95 120.40 113.08 2psf s VAL 281 Ca -0.01 -1.95 -0.27 0.00 -1.81 0.00 0.00 61.98 57.94 2psf s VAL 281 Cb -0.02 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 2psf s VAL 281 CO -0.00 -0.66 1.12 -0.54 -0.31 0.00 0.00 175.10 174.71 2psf s LYS 282 N -3.90 4.34 0.00 4.82 -0.14 -1.26 -1.02 119.74 122.58 2psf s LYS 282 Ca 0.18 1.76 0.00 0.00 -1.36 0.00 0.00 55.97 56.56 2psf s LYS 282 Cb 0.06 -2.88 0.00 0.00 -1.68 0.00 0.00 37.83 33.33 2psf s LYS 282 CO -0.00 -0.05 0.00 0.41 -0.76 0.00 0.00 175.35 174.95 2psf n GLY 283 N 0.80 1.18 0.00 -3.33 0.00 -0.57 -4.22 105.19 99.05 2psf n GLY 283 Ca 0.02 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2psf n GLY 283 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2psf n LEU 284 N 0.00 0.00 -0.11 0.99 4.77 -1.26 -0.79 117.00 120.60 2psf n LEU 284 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 2psf n LEU 284 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2psf n LEU 284 CO 0.00 0.00 -0.65 1.57 -1.33 0.00 0.00 177.39 176.98 2psf n HIS 285 N 0.00 0.87 -2.23 -1.77 -0.00 -0.92 -2.95 115.22 108.22 2psf n HIS 285 Ca 0.00 0.38 -0.41 0.00 -0.00 0.00 0.00 57.72 57.69 2psf n HIS 285 Cb 0.00 -1.08 0.00 0.00 -0.00 0.00 0.00 29.99 28.91 2psf n HIS 285 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2psf n PHE 286 N -4.41 2.69 0.31 1.57 3.72 -0.90 -4.78 117.46 115.67 2psf n PHE 286 Ca -0.35 -2.77 0.21 0.00 -0.05 0.00 0.00 57.45 54.49 2psf n PHE 286 Cb 0.71 -1.78 1.01 0.00 -0.94 0.00 0.00 39.48 38.47 2psf n PHE 286 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 176.76 178.08 2psf h LEU 287 N 6.24 0.00 -2.08 4.37 8.10 -1.84 -1.23 115.31 128.88 2psf h LEU 287 Ca 0.55 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.61 2psf h LEU 287 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.65 2psf h LEU 287 CO 1.50 0.00 0.21 1.56 -4.11 0.00 0.00 178.44 177.60 2psf h GLN 288 N 0.00 0.00 0.00 0.17 7.50 -1.89 -0.76 115.11 120.13 2psf h GLN 288 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2psf h GLN 288 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.74 2psf h GLN 288 CO 0.00 0.00 -0.23 0.93 -1.50 0.00 0.00 178.83 178.03 2psf h GLU 289 N 0.00 0.00 0.00 1.46 4.39 -1.51 -3.15 114.58 115.77 2psf h GLU 289 Ca 0.12 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 2psf h GLU 289 Cb 0.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2psf h GLU 289 CO -0.00 0.00 -1.94 -0.25 -1.16 0.00 0.00 179.01 175.66 2psf n ASP 290 N -2.79 0.82 -2.72 1.42 10.43 -0.60 -4.74 116.55 118.37 2psf n ASP 290 Ca 0.04 0.00 -0.09 0.00 2.57 0.00 0.00 54.79 57.30 2psf n ASP 290 Cb 0.51 1.54 0.05 0.00 1.84 0.00 0.00 41.12 45.05 2psf n ASP 290 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2psf n ALA 291 N -2.29 2.58 -0.17 2.24 0.00 -0.39 -4.88 120.51 117.59 2psf n ALA 291 Ca -0.11 -2.64 -0.07 0.00 0.00 0.00 0.00 53.44 50.62 2psf n ALA 291 Cb 0.66 -0.96 0.09 0.00 0.00 0.00 0.00 19.45 19.24 2psf n ALA 291 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2psf h PRO 292 N 2.76 0.96 -0.16 0.00 0.13 -1.74 -0.55 132.00 133.39 2psf h PRO 292 Ca -0.12 -0.27 -0.09 0.00 -0.87 0.00 0.00 66.00 64.64 2psf h PRO 292 Cb 1.19 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2psf h PRO 292 CO 0.35 0.93 -0.26 -0.44 -0.23 0.00 0.00 178.00 178.35 2psf h ASP 293 N 0.89 0.51 -0.47 1.44 3.32 -1.90 0.14 116.42 120.34 2psf h ASP 293 Ca 0.17 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2psf h ASP 293 Cb 0.48 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2psf h ASP 293 CO 0.02 0.94 0.30 -0.33 -1.72 0.00 0.00 179.24 178.45 2psf h GLU 294 N 0.09 0.63 -0.24 3.56 4.39 -1.95 -0.65 114.58 120.41 2psf h GLU 294 Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2psf h GLU 294 Cb 0.83 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2psf h GLU 294 CO 0.06 0.44 0.15 0.52 -1.16 0.00 0.00 179.01 179.02 2psf h MET 295 N 0.63 0.32 -0.69 2.33 2.86 -1.04 -0.44 114.93 118.91 2psf h MET 295 Ca 0.17 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.87 2psf h MET 295 Cb -0.04 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.49 2psf h MET 295 CO -0.03 0.23 0.36 0.78 1.06 0.00 0.00 176.91 179.30 2psf h GLY 296 N 0.31 1.02 1.43 8.32 0.00 -0.47 -0.03 103.07 113.66 2psf h GLY 296 Ca 0.09 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 2psf h GLY 296 CO -0.02 0.10 -0.56 0.50 0.00 0.00 0.00 176.54 176.56 2psf h LYS 297 N 0.63 0.60 -0.48 4.80 1.57 -0.83 0.64 116.57 123.49 2psf h LYS 297 Ca 0.33 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2psf h LYS 297 Cb 0.29 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2psf h LYS 297 CO -0.23 0.99 0.01 1.88 -0.57 0.00 0.00 179.45 181.53 2psf h TYR 298 N 0.46 0.92 -0.39 -1.35 0.05 -0.75 -1.53 116.97 114.38 2psf h TYR 298 Ca 0.01 -0.16 -0.08 0.00 0.05 0.00 0.00 58.73 58.55 2psf h TYR 298 Cb 1.11 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 2psf h TYR 298 CO 0.05 0.87 -0.05 0.82 -1.05 0.00 0.00 178.16 178.80 2psf h ILE 299 N 0.70 1.27 -0.33 -2.88 2.04 -0.92 -1.79 117.51 115.59 2psf h ILE 299 Ca 0.14 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 64.93 2psf h ILE 299 Cb 0.50 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2psf h ILE 299 CO 0.02 0.37 0.12 0.50 0.00 0.00 0.00 178.15 179.16 2psf h LYS 300 N 0.55 0.25 -0.48 2.37 3.64 -0.80 0.17 116.57 122.27 2psf h LYS 300 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2psf h LYS 300 Cb 0.56 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2psf h LYS 300 CO 0.03 0.17 0.31 1.03 -2.27 0.00 0.00 179.45 178.71 2psf h SER 301 N 0.26 0.56 -0.14 4.20 0.87 -1.20 0.32 113.55 118.42 2psf h SER 301 Ca 0.15 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2psf h SER 301 Cb 0.12 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2psf h SER 301 CO -0.15 0.43 0.08 0.15 -0.53 0.00 0.00 176.83 176.81 2psf h PHE 302 N 0.65 0.19 -0.50 2.24 3.57 -0.97 -1.02 116.94 121.10 2psf h PHE 302 Ca 0.17 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2psf h PHE 302 Cb -0.04 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2psf h PHE 302 CO -0.04 0.18 0.13 0.28 -2.23 0.00 0.00 178.31 176.63 2psf h VAL 303 N 0.15 1.24 -0.61 1.41 2.07 -0.78 0.04 116.25 119.76 2psf h VAL 303 Ca 0.05 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.79 2psf h VAL 303 Cb 0.05 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2psf h VAL 303 CO -0.01 0.30 0.35 -0.33 0.02 0.00 0.00 177.57 177.90 2psf h GLU 304 N 0.68 0.64 -0.34 1.57 5.08 -0.80 -0.81 114.58 120.60 2psf h GLU 304 Ca 0.16 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 2psf h GLU 304 Cb 0.32 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2psf h GLU 304 CO 0.00 0.43 -0.41 0.00 -1.00 0.00 0.00 179.01 178.02 2psf h ARG 305 N 0.66 0.83 -0.35 2.33 3.08 -0.89 0.16 114.38 120.20 2psf h ARG 305 Ca 0.26 -0.45 0.03 0.00 0.07 0.00 0.00 59.98 59.89 2psf h ARG 305 Cb 0.11 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2psf h ARG 305 CO -0.15 1.08 0.17 0.28 -1.07 0.00 0.00 179.97 180.29 2psf h VAL 306 N 0.67 0.97 -0.35 2.04 2.07 -0.72 0.32 116.25 121.25 2psf h VAL 306 Ca 0.05 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 2psf h VAL 306 Cb 0.99 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2psf h VAL 306 CO 0.09 0.06 -0.29 -0.07 0.02 0.00 0.00 177.57 177.39 2psf h LEU 307 N 0.35 0.76 -0.12 2.57 3.38 -1.00 -2.09 115.31 119.15 2psf h LEU 307 Ca 0.15 -0.30 -0.23 0.00 0.09 0.00 0.00 57.88 57.59 2psf h LEU 307 Cb 0.07 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.62 2psf h LEU 307 CO -0.11 1.01 -0.83 0.11 0.09 0.00 0.00 178.44 178.70 2psf h LYS 308 N 0.63 0.78 0.00 1.13 1.57 -0.78 -3.06 116.57 116.84 2psf h LYS 308 Ca 0.08 -0.67 -0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2psf h LYS 308 Cb 0.81 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 2psf h LYS 308 CO 0.07 1.27 -0.00 -0.91 -0.57 0.00 0.00 179.45 179.31 2psf h ASN 309 N 0.51 0.00 0.00 0.86 2.35 -0.31 -3.51 115.58 115.49 2psf h ASN 309 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2psf h ASN 309 Cb 1.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.84 2psf h ASN 309 CO 0.17 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.33