#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dye s GLY 2 N 0.00 1.65 0.89 3.17 0.00 -1.26 -4.78 107.32 106.99 3dye s GLY 2 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 44.72 43.73 3dye s GLY 2 CO 0.00 -0.17 1.09 2.56 0.00 0.00 0.00 173.10 176.59 3dye s PRO 3 N -5.54 1.29 -0.08 2.90 0.04 -1.26 -5.04 135.00 127.31 3dye s PRO 3 Ca 0.69 0.87 0.05 0.00 0.04 0.00 0.00 61.00 62.64 3dye s PRO 3 Cb -0.09 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 3dye s PRO 3 CO 0.54 -2.23 -0.22 -0.06 0.04 0.00 0.00 177.00 175.06 3dye s PHE 4 N -2.91 2.54 0.80 0.56 0.08 -1.26 -5.07 117.98 112.72 3dye s PHE 4 Ca 0.63 -0.72 -0.09 0.00 0.12 0.00 0.00 56.93 56.87 3dye s PHE 4 Cb -0.18 -1.66 0.12 0.00 -0.57 0.00 0.00 43.02 40.72 3dye s PHE 4 CO 0.57 -0.22 1.12 0.16 -0.10 0.00 0.00 175.22 176.75 3dye s ASP 5 N -0.04 4.20 0.29 1.36 1.47 -1.26 -4.83 116.67 117.85 3dye s ASP 5 Ca -0.06 0.30 0.01 0.00 1.18 0.00 0.00 52.55 53.97 3dye s ASP 5 Cb -0.15 -0.70 0.54 0.00 -0.34 0.00 0.00 42.92 42.27 3dye s ASP 5 CO 0.05 -2.01 1.86 -0.65 0.68 0.00 0.00 175.17 175.09 3dye h PRO 6 N -0.95 0.99 -0.56 2.11 0.11 -1.95 -1.55 132.00 130.21 3dye h PRO 6 Ca -0.43 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3dye h PRO 6 Cb 1.29 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3dye h PRO 6 CO 0.51 0.66 -0.07 1.49 -0.21 0.00 0.00 178.00 180.38 3dye h GLU 7 N 1.02 1.01 -0.62 1.05 4.22 -1.94 -0.69 114.58 118.63 3dye h GLU 7 Ca 0.47 -0.35 -0.06 0.00 0.08 0.00 0.00 59.36 59.51 3dye h GLU 7 Cb 0.41 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3dye h GLU 7 CO -0.23 1.03 0.16 0.93 -2.18 0.00 0.00 179.01 178.73 3dye h GLU 8 N 0.91 0.98 -0.35 1.92 5.08 -1.75 0.11 114.58 121.48 3dye h GLU 8 Ca 0.15 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 3dye h GLU 8 Cb 0.62 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3dye h GLU 8 CO 0.04 0.89 -0.35 0.52 -1.00 0.00 0.00 179.01 179.10 3dye h MET 9 N 0.90 0.80 -0.61 2.33 2.86 -1.20 -1.94 114.93 118.06 3dye h MET 9 Ca 0.20 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3dye h MET 9 Cb 0.34 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3dye h MET 9 CO -0.00 1.02 0.39 1.25 1.06 0.00 0.00 176.91 180.63 3dye h LEU 10 N 0.66 0.72 -0.19 1.22 5.85 -0.87 0.25 115.31 122.95 3dye h LEU 10 Ca 0.06 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3dye h LEU 10 Cb 0.90 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3dye h LEU 10 CO 0.08 0.54 0.09 0.15 -0.34 0.00 0.00 178.44 178.97 3dye h PHE 11 N 0.83 0.17 0.07 1.25 3.57 -0.81 -1.41 116.94 120.61 3dye h PHE 11 Ca 0.22 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3dye h PHE 11 Cb -0.06 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3dye h PHE 11 CO -0.03 0.10 -0.07 0.82 -2.23 0.00 0.00 178.31 176.90 3dye h ILE 12 N 0.20 0.83 0.07 1.41 2.04 -0.94 -0.33 117.51 120.80 3dye h ILE 12 Ca 0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 3dye h ILE 12 Cb 0.02 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3dye h ILE 12 CO -0.06 0.00 -0.03 -0.26 0.00 0.00 0.00 178.15 177.80 3dye h PHE 13 N -0.16 -0.09 -0.50 1.37 0.04 -0.86 -0.96 116.94 115.77 3dye h PHE 13 Ca 0.00 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.66 3dye h PHE 13 Cb 0.16 0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3dye h PHE 13 CO -0.10 -0.06 -0.14 1.79 -0.60 0.00 0.00 178.31 179.19 3dye h THR 14 N -0.10 1.27 -0.39 -1.55 1.35 -1.21 -0.38 112.91 111.91 3dye h THR 14 Ca -0.01 -1.29 -0.03 0.00 -0.55 0.00 0.00 66.41 64.53 3dye h THR 14 Cb 0.07 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 67.51 3dye h THR 14 CO 0.01 0.45 0.14 -0.09 -0.25 0.00 0.00 175.52 175.78 3dye h ARG 15 N 0.86 0.59 -0.68 4.72 9.65 -1.01 0.12 114.38 128.63 3dye h ARG 15 Ca 0.13 -0.12 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 3dye h ARG 15 Cb 0.70 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.16 3dye h ARG 15 CO 0.05 0.58 0.19 0.00 2.80 0.00 0.00 179.97 183.59 3dye h MET 17 N 1.02 0.50 -0.82 0.00 2.86 -0.93 -2.25 114.93 115.30 3dye h MET 17 Ca 0.22 -0.15 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 3dye h MET 17 Cb 0.32 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.86 3dye h MET 17 CO -0.00 0.63 0.48 1.49 1.06 0.00 0.00 176.91 180.57 3dye h GLU 18 N 0.29 0.79 0.00 1.72 4.81 -0.42 -0.12 114.58 121.65 3dye h GLU 18 Ca 0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3dye h GLU 18 Cb 0.40 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3dye h GLU 18 CO 0.01 0.52 -0.04 -0.25 -0.73 0.00 0.00 179.01 178.53 3dye n ASP 19 N -4.73 0.53 0.00 1.04 8.00 -0.45 -4.32 116.55 116.63 3dye n ASP 19 Ca 0.13 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.15 3dye n ASP 19 Cb 0.26 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 3dye n ASP 19 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dye n ASN 20 N -1.99 2.57 -4.76 -2.24 3.02 -0.85 -5.04 115.26 105.97 3dye n ASN 20 Ca 0.06 -0.12 -0.41 0.00 -0.03 0.00 0.00 54.58 54.07 3dye n ASN 20 Cb 0.40 0.76 -0.01 0.00 -0.61 0.00 0.00 39.78 40.32 3dye n ASN 20 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dye s LEU 21 N -2.03 4.33 0.85 3.41 1.43 -0.11 -4.68 118.68 121.89 3dye s LEU 21 Ca 0.00 3.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.99 3dye s LEU 21 Cb 0.00 -3.65 0.11 0.00 0.03 0.00 0.00 46.19 42.68 3dye s LEU 21 CO 0.00 -0.90 1.13 -1.61 0.23 0.00 0.00 176.35 175.20 3dye s GLU 22 N -1.12 1.55 0.02 1.70 2.02 -1.26 -5.03 118.70 116.57 3dye s GLU 22 Ca 0.59 1.43 -0.03 0.00 0.02 0.00 0.00 54.97 56.98 3dye s GLU 22 Cb -0.47 -1.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 3dye s GLU 22 CO 0.54 -2.22 0.21 -0.51 0.02 0.00 0.00 175.26 173.30 3dye s ASP 23 N -2.89 6.40 0.00 -0.19 1.01 -1.26 -4.37 116.67 115.37 3dye s ASP 23 Ca 0.65 0.38 0.00 0.00 0.71 0.00 0.00 52.55 54.29 3dye s ASP 23 Cb -0.21 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.71 3dye s ASP 23 CO 0.56 0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.78 3dye n GLY 24 N 0.79 -0.28 0.34 0.21 0.00 -1.26 -4.67 105.19 100.32 3dye n GLY 24 Ca -0.09 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.19 3dye n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dye h ALA 25 N 0.00 1.53 0.00 4.61 0.00 -2.03 -2.09 119.26 121.27 3dye h ALA 25 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dye h ALA 25 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dye h ALA 25 CO 0.00 -0.02 -0.08 0.09 0.00 0.00 0.00 179.25 179.25 3dye n ASN 26 N -4.78 0.29 0.22 0.00 3.02 -1.26 -4.35 115.26 108.40 3dye n ASN 26 Ca 0.21 0.43 -0.15 0.00 -0.03 0.00 0.00 54.58 55.04 3dye n ASN 26 Cb 0.50 -0.47 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 3dye n ASN 26 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3dye h ARG 27 N 0.00 -0.55 -0.13 3.52 2.43 -1.57 -0.62 114.38 117.46 3dye h ARG 27 Ca 0.00 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3dye h ARG 27 Cb 0.57 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3dye h ARG 27 CO 0.00 -0.36 0.05 -0.07 -1.51 0.00 0.00 179.97 178.07 3dye h LEU 28 N -0.57 0.19 -0.61 3.80 3.38 -1.78 -0.63 115.31 119.09 3dye h LEU 28 Ca -0.03 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.85 3dye h LEU 28 Cb 0.48 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 3dye h LEU 28 CO 0.02 0.32 0.23 -0.65 0.09 0.00 0.00 178.44 178.45 3dye h PRO 29 N 0.05 0.40 -0.07 1.13 0.11 -1.79 -1.44 132.00 130.40 3dye h PRO 29 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3dye h PRO 29 Cb 0.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3dye h PRO 29 CO -0.00 0.27 0.03 0.52 -0.21 0.00 0.00 178.00 178.60 3dye h MET 30 N 0.41 0.07 -0.32 1.05 2.86 -0.95 -2.71 114.93 115.35 3dye h MET 30 Ca 0.31 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.99 3dye h MET 30 Cb 0.38 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 3dye h MET 30 CO -0.31 0.04 0.06 1.25 1.06 0.00 0.00 176.91 179.02 3dye h LEU 31 N 0.07 0.01 -0.99 1.22 5.85 -0.90 -0.55 115.31 120.03 3dye h LEU 31 Ca 0.03 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.91 3dye h LEU 31 Cb 0.01 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 3dye h LEU 31 CO -0.02 0.04 0.62 0.00 -0.34 0.00 0.00 178.44 178.73 3dye h ALA 32 N 1.24 1.47 -0.02 1.25 0.00 -1.14 -0.91 119.26 121.14 3dye h ALA 32 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3dye h ALA 32 Cb 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dye h ALA 32 CO -0.20 0.24 -0.08 0.87 0.00 0.00 0.00 179.25 180.08 3dye h LYS 33 N 0.99 0.08 -0.88 0.00 1.57 -1.10 -3.26 116.57 113.97 3dye h LYS 33 Ca 0.48 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 3dye h LYS 33 Cb 0.44 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 3dye h LYS 33 CO -0.25 0.73 0.53 -1.49 -0.57 0.00 0.00 179.45 178.39 3dye h TRP 34 N -0.55 1.17 -0.24 -1.35 6.55 -0.85 0.33 115.95 121.00 3dye h TRP 34 Ca -0.01 -0.00 0.05 0.00 0.95 0.00 0.00 58.89 59.88 3dye h TRP 34 Cb 0.74 -0.38 -0.01 0.00 -0.86 0.00 0.00 29.16 28.65 3dye h TRP 34 CO 0.15 0.78 0.17 0.87 -1.05 0.00 0.00 178.44 179.36 3dye h LYS 35 N 1.22 0.08 -0.53 0.49 1.57 -1.28 -1.19 116.57 116.94 3dye h LYS 35 Ca 0.32 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3dye h LYS 35 Cb -0.05 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3dye h LYS 35 CO -0.06 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 3dye n GLU 36 N -4.48 2.28 -1.98 3.15 -0.58 -0.64 -4.91 120.64 113.48 3dye n GLU 36 Ca 0.02 -1.89 -0.15 0.00 -0.42 0.00 0.00 57.16 54.72 3dye n GLU 36 Cb 0.26 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 3dye n GLU 36 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 3dye n TRP 37 N 1.00 -0.46 -3.20 -0.32 7.02 -0.45 -4.97 117.44 116.06 3dye n TRP 37 Ca 0.18 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 56.20 3dye n TRP 37 Cb 0.46 -2.99 -0.05 0.00 -2.42 0.00 0.00 31.31 26.32 3dye n TRP 37 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3dye s ILE 38 N -2.69 4.99 -1.32 -0.99 1.01 0.01 -4.98 121.20 117.24 3dye s ILE 38 Ca 0.00 -1.22 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 3dye s ILE 38 Cb 0.00 -4.43 0.11 0.00 0.01 0.00 0.00 42.46 38.15 3dye s ILE 38 CO 0.00 -1.02 1.82 0.59 0.00 0.00 0.00 174.94 176.34 3dye n ASN 39 N 5.85 4.77 -4.11 3.58 3.02 -1.26 -3.09 115.26 124.02 3dye n ASN 39 Ca -0.11 -2.96 -0.10 0.00 -0.03 0.00 0.00 54.58 51.38 3dye n ASN 39 Cb 0.41 -1.62 -0.10 0.00 -0.61 0.00 0.00 39.78 37.85 3dye n ASN 39 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3dye s GLU 40 N 2.49 0.66 0.15 3.52 2.02 -1.26 -4.16 118.70 122.12 3dye s GLU 40 Ca 0.46 -1.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 3dye s GLU 40 Cb 0.06 -0.13 -0.07 0.00 0.10 0.00 0.00 34.13 34.09 3dye s GLU 40 CO 0.00 -0.02 1.23 -2.14 0.02 0.00 0.00 175.26 174.35 3dye s PRO 41 N -3.00 4.45 0.56 0.39 0.02 -1.26 -4.75 135.00 131.40 3dye s PRO 41 Ca 0.02 1.88 0.31 0.00 0.02 0.00 0.00 61.00 63.24 3dye s PRO 41 Cb 0.00 -3.26 1.67 0.00 0.02 0.00 0.00 34.50 32.93 3dye s PRO 41 CO -0.04 -0.18 2.15 -0.39 -0.33 0.00 0.00 177.00 178.21 3dye h VAL 42 N 3.98 0.42 -0.00 3.83 -1.51 -1.99 -2.09 116.25 118.88 3dye h VAL 42 Ca -0.44 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 3dye h VAL 42 Cb 1.21 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 3dye h VAL 42 CO 0.78 0.07 -0.22 0.47 -1.23 0.00 0.00 177.57 177.44 3dye n ASP 43 N -3.54 0.53 -4.69 4.19 8.00 -1.26 -4.78 116.55 115.00 3dye n ASP 43 Ca -0.02 -0.41 -0.41 0.00 0.71 0.00 0.00 54.79 54.66 3dye n ASP 43 Cb 0.19 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 3dye n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3dye s SER 44 N -2.68 6.98 0.39 -2.24 0.15 -0.79 -4.96 113.70 110.56 3dye s SER 44 Ca 0.22 1.20 0.14 0.00 0.70 0.00 0.00 55.95 58.20 3dye s SER 44 Cb 0.19 -2.44 0.97 0.00 -1.71 0.00 0.00 66.02 63.03 3dye s SER 44 CO 0.54 -0.29 1.86 -0.65 1.20 0.00 0.00 173.24 175.91 3dye h PRO 45 N 7.12 0.51 -0.15 5.44 0.11 -1.89 -0.64 132.00 142.50 3dye h PRO 45 Ca -0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3dye h PRO 45 Cb 1.16 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3dye h PRO 45 CO 0.80 0.34 0.07 0.00 -0.21 0.00 0.00 178.00 178.99 3dye h ALA 46 N 1.61 0.19 -0.74 -0.75 0.00 -1.93 0.11 119.26 117.75 3dye h ALA 46 Ca 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3dye h ALA 46 Cb 0.96 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3dye h ALA 46 CO -0.19 -0.25 0.43 1.15 0.00 0.00 0.00 179.25 180.39 3dye h THR 47 N 0.11 1.22 -0.40 0.00 2.02 -1.63 0.69 112.91 114.92 3dye h THR 47 Ca 0.05 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 3dye h THR 47 Cb 0.12 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3dye h THR 47 CO -0.01 0.23 0.04 1.56 0.37 0.00 0.00 175.52 177.72 3dye h GLN 48 N 1.02 0.69 -0.07 6.66 4.20 -0.88 -0.57 115.11 126.15 3dye h GLN 48 Ca 0.27 -0.20 -0.16 0.00 0.06 0.00 0.00 58.65 58.62 3dye h GLN 48 Cb -0.01 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3dye h GLN 48 CO -0.05 0.75 -0.65 0.00 -0.67 0.00 0.00 178.83 178.22 3dye h PHE 50 N 0.20 -0.19 -0.12 0.00 3.57 -0.69 0.04 116.94 119.75 3dye h PHE 50 Ca -0.01 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3dye h PHE 50 Cb 1.18 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 3dye h PHE 50 CO 0.03 -0.12 -0.16 0.78 -2.23 0.00 0.00 178.31 176.61 3dye h GLY 51 N -0.16 -0.10 0.45 2.40 0.00 -1.00 -1.99 103.07 102.66 3dye h GLY 51 Ca 0.01 0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.61 3dye h GLY 51 CO -0.03 -0.15 0.23 1.70 0.00 0.00 0.00 176.54 178.29 3dye h LYS 52 N -0.20 0.41 -0.18 4.80 3.64 -1.07 -1.86 116.57 122.11 3dye h LYS 52 Ca 0.09 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3dye h LYS 52 Cb 0.33 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 3dye h LYS 52 CO -0.24 0.27 -0.17 0.00 -2.27 0.00 0.00 179.45 177.05 3dye h VAL 54 N -0.18 1.07 -0.87 0.00 2.07 -1.11 -0.51 116.25 116.72 3dye h VAL 54 Ca 0.11 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3dye h VAL 54 Cb 0.35 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3dye h VAL 54 CO -0.29 0.07 0.56 -0.07 0.02 0.00 0.00 177.57 177.86 3dye h LEU 55 N 0.19 0.95 -0.08 2.57 3.38 -0.94 -1.21 115.31 120.16 3dye h LEU 55 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3dye h LEU 55 Cb 0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3dye h LEU 55 CO -0.01 0.66 -0.04 0.58 0.09 0.00 0.00 178.44 179.72 3dye h VAL 56 N 1.11 1.33 -0.37 1.22 2.07 -0.58 -0.24 116.25 120.79 3dye h VAL 56 Ca 0.34 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3dye h VAL 56 Cb -0.03 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3dye h VAL 56 CO -0.10 0.30 0.14 0.03 0.02 0.00 0.00 177.57 177.95 3dye h ARG 57 N -0.21 0.53 0.00 1.57 3.08 -0.95 -2.09 114.38 116.31 3dye h ARG 57 Ca 0.02 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3dye h ARG 57 Cb 0.49 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3dye h ARG 57 CO 0.01 0.45 -0.24 1.79 -1.07 0.00 0.00 179.97 180.92 3dye h THR 58 N 0.53 0.42 0.00 2.04 1.35 -1.25 -3.48 112.91 112.52 3dye h THR 58 Ca 0.13 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3dye h THR 58 Cb 0.13 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3dye h THR 58 CO -0.01 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 3dye n GLY 59 N 1.06 0.71 0.25 5.82 0.00 -0.79 -4.64 105.19 107.60 3dye n GLY 59 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 3dye n GLY 59 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dye h LEU 60 N 0.00 0.28 -8.52 0.99 3.38 -1.32 -3.39 115.31 106.74 3dye h LEU 60 Ca 0.00 -0.05 -0.66 0.00 0.09 0.00 0.00 57.88 57.26 3dye h LEU 60 Cb 0.00 -0.07 -0.28 0.00 0.09 0.00 0.00 40.66 40.40 3dye h LEU 60 CO 0.00 0.41 -0.77 -0.47 0.09 0.00 0.00 178.44 177.70 3dye s TYR 61 N -4.82 2.83 -0.43 1.13 5.04 -0.57 -0.23 117.35 120.29 3dye s TYR 61 Ca -0.06 -0.79 -0.12 0.00 -2.44 0.00 0.00 57.07 53.66 3dye s TYR 61 Cb 0.16 -1.90 0.07 0.00 0.35 0.00 0.00 41.96 40.64 3dye s TYR 61 CO 0.74 -0.33 0.30 0.34 -1.34 0.00 0.00 175.55 175.26 3dye s ASP 62 N 0.65 5.83 0.32 4.32 -1.08 0.50 -4.20 116.67 123.01 3dye s ASP 62 Ca -0.06 -1.38 0.26 0.00 -0.52 0.00 0.00 52.55 50.84 3dye s ASP 62 Cb -0.15 -2.06 1.00 0.00 -1.46 0.00 0.00 42.92 40.24 3dye s ASP 62 CO 0.02 -0.56 1.77 1.55 0.52 0.00 0.00 175.17 178.48 3dye h PRO 63 N 8.53 0.00 -0.00 4.34 0.13 -1.96 0.17 132.00 143.21 3dye h PRO 63 Ca -0.25 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3dye h PRO 63 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3dye h PRO 63 CO 0.79 0.00 -0.00 0.28 -0.23 0.00 0.00 178.00 178.84 3dye h VAL 64 N 0.00 1.61 0.00 1.56 2.07 -1.94 -3.28 116.25 116.27 3dye h VAL 64 Ca 0.00 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.72 3dye h VAL 64 Cb 0.49 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 3dye h VAL 64 CO 0.00 0.47 0.00 0.00 0.02 0.00 0.00 177.57 178.06 3dye h ALA 65 N 0.23 1.00 -6.07 1.67 0.00 -1.96 -3.47 119.26 110.66 3dye h ALA 65 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 3dye h ALA 65 Cb 0.77 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.61 3dye h ALA 65 CO 0.00 0.00 -0.80 1.04 0.00 0.00 0.00 179.25 179.49 3dye n GLN 66 N -2.96 -5.47 -3.81 0.00 6.02 0.55 -4.95 117.38 106.75 3dye n GLN 66 Ca 0.02 0.66 -0.11 0.00 -0.01 0.00 0.00 57.00 57.56 3dye n GLN 66 Cb 0.39 -5.38 -0.08 0.00 1.02 0.00 0.00 30.24 26.18 3dye n GLN 66 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3dye s LYS 67 N -6.08 0.67 0.51 -1.09 1.02 -0.96 -1.43 119.74 112.39 3dye s LYS 67 Ca 0.20 -0.47 -0.16 0.00 0.02 0.00 0.00 55.97 55.55 3dye s LYS 67 Cb -0.10 0.29 -0.08 0.00 -0.52 0.00 0.00 37.83 37.42 3dye s LYS 67 CO 0.80 -0.19 0.98 -0.06 -0.92 0.00 0.00 175.35 175.95 3dye s PHE 68 N -2.10 3.46 -0.27 3.18 0.08 -1.26 -0.37 117.98 120.69 3dye s PHE 68 Ca -0.09 1.45 -0.01 0.00 0.12 0.00 0.00 56.93 58.40 3dye s PHE 68 Cb -0.03 -2.78 0.08 0.00 -0.57 0.00 0.00 43.02 39.73 3dye s PHE 68 CO -0.01 -0.36 0.06 0.34 -0.10 0.00 0.00 175.22 175.15 3dye s ASP 69 N -3.08 3.73 0.00 1.36 -1.08 0.67 -4.87 116.67 113.40 3dye s ASP 69 Ca 0.59 -1.38 0.22 0.00 -0.52 0.00 0.00 52.55 51.46 3dye s ASP 69 Cb -0.10 -0.85 0.96 0.00 -1.46 0.00 0.00 42.92 41.48 3dye s ASP 69 CO 0.31 -0.36 1.71 0.00 0.52 0.00 0.00 175.17 177.35 3dye n ALA 70 N 4.87 2.02 0.25 3.66 0.00 -1.26 -3.44 120.51 126.61 3dye n ALA 70 Ca -0.05 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.42 3dye n ALA 70 Cb 0.44 -1.36 0.64 0.00 0.00 0.00 0.00 19.45 19.17 3dye n ALA 70 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dye h SER 71 N 0.00 0.00 -0.98 0.00 4.64 -1.94 -1.52 113.55 113.75 3dye h SER 71 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3dye h SER 71 Cb 0.36 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 3dye h SER 71 CO 0.00 0.16 0.65 0.58 -0.87 0.00 0.00 176.83 177.35 3dye h VAL 72 N 0.00 1.21 -0.14 0.95 2.07 -1.89 -0.07 116.25 118.37 3dye h VAL 72 Ca -0.00 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3dye h VAL 72 Cb 0.45 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3dye h VAL 72 CO 0.02 0.23 0.03 0.40 0.02 0.00 0.00 177.57 178.27 3dye h ILE 73 N 1.28 1.21 -0.49 4.57 2.04 -1.51 -1.16 117.51 123.45 3dye h ILE 73 Ca 0.38 -0.67 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 3dye h ILE 73 Cb -0.07 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3dye h ILE 73 CO -0.10 0.20 -0.08 1.56 0.00 0.00 0.00 178.15 179.73 3dye h GLN 74 N 0.02 0.88 -0.62 2.37 1.08 -1.37 -1.26 115.11 116.22 3dye h GLN 74 Ca 0.04 -0.29 -0.02 0.00 -1.45 0.00 0.00 58.65 56.94 3dye h GLN 74 Cb 0.28 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 3dye h GLN 74 CO 0.00 0.92 0.33 0.93 -0.95 0.00 0.00 178.83 180.06 3dye h GLU 75 N 0.80 0.87 -0.75 1.46 4.39 -0.94 -0.44 114.58 119.97 3dye h GLU 75 Ca 0.14 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3dye h GLU 75 Cb 0.58 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 3dye h GLU 75 CO 0.04 0.67 0.43 0.37 -1.16 0.00 0.00 179.01 179.36 3dye h GLN 76 N 0.84 1.03 -0.38 2.33 5.75 -0.91 -2.06 115.11 121.71 3dye h GLN 76 Ca 0.22 -0.11 -0.14 0.00 -0.15 0.00 0.00 58.65 58.46 3dye h GLN 76 Cb 0.07 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 3dye h GLN 76 CO -0.03 0.75 -0.34 0.35 -2.65 0.00 0.00 178.83 176.91 3dye h PHE 77 N 1.03 1.02 -0.64 3.99 3.57 -0.94 -1.33 116.94 123.64 3dye h PHE 77 Ca 0.27 -0.28 0.06 0.00 3.53 0.00 0.00 57.97 61.54 3dye h PHE 77 Cb 0.00 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 38.47 3dye h PHE 77 CO -0.00 1.08 0.34 -0.22 -2.23 0.00 0.00 178.31 177.27 3dye h LYS 78 N 0.72 0.61 -0.01 1.11 3.64 -0.90 -2.49 116.57 119.25 3dye h LYS 78 Ca 0.07 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 3dye h LYS 78 Cb 0.90 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 3dye h LYS 78 CO 0.08 0.40 -0.65 0.00 -2.27 0.00 0.00 179.45 177.01 3dye h ALA 79 N 1.35 0.90 -2.12 5.00 0.00 -1.16 -3.38 119.26 119.86 3dye h ALA 79 Ca 0.29 -0.59 -0.58 0.00 0.00 0.00 0.00 54.91 54.03 3dye h ALA 79 Cb 0.21 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 17.50 3dye h ALA 79 CO -0.19 0.80 -0.88 0.66 0.00 0.00 0.00 179.25 179.64 3dye n TYR 80 N -3.78 1.37 0.28 0.00 4.01 -0.52 -4.96 117.16 113.57 3dye n TYR 80 Ca -0.01 -3.82 0.13 0.00 -0.16 0.00 0.00 57.90 54.04 3dye n TYR 80 Cb 0.64 -0.42 0.84 0.00 -0.31 0.00 0.00 39.34 40.09 3dye n TYR 80 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3dye h PRO 81 N 4.15 0.00 0.00 -0.72 0.13 -1.66 -1.75 132.00 132.15 3dye h PRO 81 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3dye h PRO 81 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3dye h PRO 81 CO 0.62 0.03 0.00 0.66 -0.23 0.00 0.00 178.00 179.08 3dye h SER 82 N 0.00 0.00 -0.52 1.44 4.64 -1.93 -3.20 113.55 113.98 3dye h SER 82 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dye h SER 82 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3dye h SER 82 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3dye n LEU 83 N -2.48 2.99 -3.55 5.97 4.77 -0.66 -4.93 117.00 119.12 3dye n LEU 83 Ca 0.03 -1.45 -0.13 0.00 -0.03 0.00 0.00 56.01 54.43 3dye n LEU 83 Cb 0.31 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 3dye n LEU 83 CO 0.24 0.73 0.28 -0.83 -1.33 0.00 0.00 177.39 176.48 3dye s GLY 84 N -1.11 -0.44 -0.20 -0.72 0.00 -1.21 -3.42 107.32 100.22 3dye s GLY 84 Ca 0.38 0.42 -0.09 0.00 0.00 0.00 0.00 44.72 45.43 3dye s GLY 84 CO 0.27 0.13 0.12 1.85 0.00 0.00 0.00 173.10 175.46 3dye s GLU 85 N -3.07 4.10 0.20 2.90 2.12 -1.26 -4.97 118.70 118.72 3dye s GLU 85 Ca -0.02 -0.27 -0.15 0.00 0.36 0.00 0.00 54.97 54.89 3dye s GLU 85 Cb -0.00 -3.39 0.20 0.00 0.26 0.00 0.00 34.13 31.21 3dye s GLU 85 CO -0.07 0.24 1.62 -0.22 -0.54 0.00 0.00 175.26 176.29 3dye h LYS 86 N 6.87 -0.05 -0.90 4.30 3.64 -1.99 -0.23 116.57 128.21 3dye h LYS 86 Ca -0.39 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.02 3dye h LYS 86 Cb 1.16 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 3dye h LYS 86 CO 0.72 -0.03 0.59 0.66 -2.27 0.00 0.00 179.45 179.12 3dye h SER 87 N -0.05 0.99 -0.07 4.20 4.64 -1.98 0.18 113.55 121.46 3dye h SER 87 Ca 0.28 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.35 3dye h SER 87 Cb 0.48 -0.23 0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3dye h SER 87 CO -0.64 0.69 -0.88 0.11 -0.87 0.00 0.00 176.83 175.23 3dye h LYS 88 N 1.15 0.72 -0.46 4.77 1.57 -1.66 -0.85 116.57 121.81 3dye h LYS 88 Ca 0.35 -0.68 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 3dye h LYS 88 Cb -0.01 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3dye h LYS 88 CO -0.10 1.28 0.21 0.28 -0.57 0.00 0.00 179.45 180.55 3dye h VAL 89 N 0.42 1.19 -0.76 0.50 2.07 -0.68 -1.44 116.25 117.55 3dye h VAL 89 Ca -0.09 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3dye h VAL 89 Cb 1.53 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 3dye h VAL 89 CO 0.18 0.22 0.47 -0.33 0.02 0.00 0.00 177.57 178.12 3dye h GLU 90 N 0.61 0.87 -0.75 1.57 4.39 -0.59 0.10 114.58 120.78 3dye h GLU 90 Ca 0.16 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 3dye h GLU 90 Cb 0.14 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3dye h GLU 90 CO -0.02 0.58 0.38 0.00 -1.16 0.00 0.00 179.01 178.79 3dye h ALA 91 N 1.34 0.97 -0.03 3.43 0.00 -0.85 0.87 119.26 124.99 3dye h ALA 91 Ca 0.31 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dye h ALA 91 Cb 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3dye h ALA 91 CO -0.13 0.51 0.00 -0.92 0.00 0.00 0.00 179.25 178.71 3dye h TYR 92 N 1.05 0.05 -0.94 0.00 3.20 -0.85 -1.75 116.97 117.73 3dye h TYR 92 Ca 0.26 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.15 3dye h TYR 92 Cb 0.09 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 3dye h TYR 92 CO 0.01 0.32 0.61 0.00 -1.64 0.00 0.00 178.16 177.46 3dye h ALA 93 N 0.72 1.22 -0.82 1.82 0.00 -0.64 -2.21 119.26 119.35 3dye h ALA 93 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3dye h ALA 93 Cb 0.30 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3dye h ALA 93 CO 0.00 0.52 0.47 -0.91 0.00 0.00 0.00 179.25 179.33 3dye h ASN 94 N 1.21 1.01 -0.72 0.00 2.35 -0.74 0.16 115.58 118.85 3dye h ASN 94 Ca 0.36 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.98 3dye h ASN 94 Cb -0.05 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 3dye h ASN 94 CO -0.10 0.80 0.26 0.00 -1.65 0.00 0.00 177.43 176.74 3dye h ALA 95 N 1.25 0.94 -0.43 -0.83 0.00 -0.93 -2.24 119.26 117.02 3dye h ALA 95 Ca 0.29 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3dye h ALA 95 Cb -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3dye h ALA 95 CO -0.05 0.59 -0.22 0.28 0.00 0.00 0.00 179.25 179.85 3dye h VAL 96 N 1.05 1.27 -0.14 0.00 2.07 -1.13 -2.97 116.25 116.40 3dye h VAL 96 Ca 0.24 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.41 3dye h VAL 96 Cb 0.25 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3dye h VAL 96 CO -0.01 0.47 0.10 0.11 0.02 0.00 0.00 177.57 178.25 3dye h LYS 97 N 0.74 0.09 -0.02 1.57 1.57 -0.72 -2.69 116.57 117.11 3dye h LYS 97 Ca 0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3dye h LYS 97 Cb 0.79 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3dye h LYS 97 CO 0.07 0.06 -0.15 1.04 -0.57 0.00 0.00 179.45 179.89 3dye n GLN 98 N -4.51 1.74 -1.95 3.15 6.02 -0.86 -4.89 117.38 116.08 3dye n GLN 98 Ca -0.00 -1.34 -0.40 0.00 -0.01 0.00 0.00 57.00 55.25 3dye n GLN 98 Cb 0.16 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 29.95 3dye n GLN 98 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dye s LEU 99 N -2.18 4.25 0.80 1.08 1.43 -1.02 -5.01 118.68 118.03 3dye s LEU 99 Ca 0.27 2.81 -0.12 0.00 -1.03 0.00 0.00 54.13 56.07 3dye s LEU 99 Cb 0.20 -3.82 0.08 0.00 0.03 0.00 0.00 46.19 42.68 3dye s LEU 99 CO 0.40 -0.88 1.17 -2.16 0.23 0.00 0.00 176.35 175.11 3dye s PRO 100 N -2.18 2.03 0.31 1.29 0.04 -1.26 -4.86 135.00 130.36 3dye s PRO 100 Ca 0.56 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 3dye s PRO 100 Cb -0.42 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.05 3dye s PRO 100 CO 0.55 -1.55 1.55 0.43 0.04 0.00 0.00 177.00 178.01 3dye n SER 101 N -3.29 3.75 -4.03 6.66 7.64 -1.26 -4.70 113.62 118.39 3dye n SER 101 Ca 0.08 1.17 -0.21 0.00 1.01 0.00 0.00 58.87 60.92 3dye n SER 101 Cb 0.61 -1.59 -0.15 0.00 -1.01 0.00 0.00 64.21 62.07 3dye n SER 101 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3dye s THR 102 N -0.29 0.86 0.57 0.44 2.01 -0.52 -5.01 115.64 113.70 3dye s THR 102 Ca 0.62 -0.42 -0.20 0.00 0.31 0.00 0.00 61.69 61.99 3dye s THR 102 Cb -0.50 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 3dye s THR 102 CO 0.52 0.26 1.28 0.20 -0.69 0.00 0.00 174.62 176.20 3dye s ASN 103 N 0.02 5.20 -1.36 3.53 0.01 -1.26 -4.35 114.94 116.72 3dye s ASN 103 Ca -0.00 2.59 -0.09 0.00 -0.71 0.00 0.00 52.86 54.64 3dye s ASN 103 Cb -0.07 -2.62 0.10 0.00 0.41 0.00 0.00 41.25 39.07 3dye s ASN 103 CO 0.00 -1.60 2.18 -0.46 -1.51 0.00 0.00 177.10 175.71 3dye n ASN 104 N -1.31 5.96 -4.22 -1.22 0.23 -1.26 -4.08 115.26 109.36 3dye n ASN 104 Ca 0.12 -3.01 -0.19 0.00 -0.53 0.00 0.00 54.58 50.97 3dye n ASN 104 Cb 0.47 -1.49 -0.12 0.00 -2.08 0.00 0.00 39.78 36.56 3dye n ASN 104 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 3dye s ASP 105 N 1.30 1.96 0.16 0.53 -4.77 -1.26 -5.06 116.67 109.53 3dye s ASP 105 Ca 0.48 -0.72 -0.21 0.00 -3.30 0.00 0.00 52.55 48.80 3dye s ASP 105 Cb 0.13 -0.07 0.07 0.00 -1.09 0.00 0.00 42.92 41.96 3dye s ASP 105 CO -0.04 -0.09 1.63 0.00 0.70 0.00 0.00 175.17 177.37 3dye h ALA 107 N 0.98 0.40 -0.27 0.00 0.00 -1.94 -0.71 119.26 117.73 3dye h ALA 107 Ca 0.17 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3dye h ALA 107 Cb 0.45 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dye h ALA 107 CO -0.45 -0.30 0.06 0.00 0.00 0.00 0.00 179.25 178.56 3dye h ALA 108 N 1.25 0.36 -0.19 0.00 0.00 -1.76 -1.23 119.26 117.69 3dye h ALA 108 Ca 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dye h ALA 108 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3dye h ALA 108 CO -0.20 0.03 0.04 0.28 0.00 0.00 0.00 179.25 179.40 3dye h VAL 109 N 0.27 1.21 -0.33 0.00 2.07 -1.23 -1.97 116.25 116.27 3dye h VAL 109 Ca 0.08 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3dye h VAL 109 Cb 0.31 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3dye h VAL 109 CO 0.00 0.21 0.21 0.15 0.02 0.00 0.00 177.57 178.17 3dye h PHE 110 N 0.11 0.40 -0.81 1.57 3.57 -1.09 -1.85 116.94 118.83 3dye h PHE 110 Ca 0.06 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3dye h PHE 110 Cb 0.29 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 3dye h PHE 110 CO 0.01 0.25 0.41 -0.22 -2.23 0.00 0.00 178.31 176.54 3dye h LYS 111 N 0.43 1.16 -0.54 1.11 3.64 -1.17 -0.00 116.57 121.20 3dye h LYS 111 Ca 0.12 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3dye h LYS 111 Cb -0.04 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 3dye h LYS 111 CO -0.03 0.88 0.12 0.00 -2.27 0.00 0.00 179.45 178.14 3dye h ALA 112 N 1.22 0.71 0.00 5.00 0.00 -1.10 -3.26 119.26 121.84 3dye h ALA 112 Ca 0.28 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3dye h ALA 112 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3dye h ALA 112 CO -0.04 0.43 -0.87 -0.92 0.00 0.00 0.00 179.25 177.84 3dye h TYR 113 N 0.77 0.00 -0.63 0.00 3.20 -1.09 -3.38 116.97 115.83 3dye h TYR 113 Ca 0.17 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.15 3dye h TYR 113 Cb 0.36 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.55 3dye h TYR 113 CO 0.03 0.73 0.19 0.22 -1.64 0.00 0.00 178.16 177.69 3dye h ASP 114 N 0.00 0.13 -0.72 -2.11 3.58 -1.03 0.46 116.42 116.72 3dye h ASP 114 Ca -0.04 0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.53 3dye h ASP 114 Cb 1.59 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 42.71 3dye h ASP 114 CO 0.09 0.07 0.48 -0.65 -2.88 0.00 0.00 179.24 176.35 3dye h PRO 115 N 0.34 0.88 -0.32 0.28 0.11 -1.76 -1.41 132.00 130.13 3dye h PRO 115 Ca 0.33 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.33 3dye h PRO 115 Cb 0.46 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 3dye h PRO 115 CO -0.37 0.58 -0.00 0.28 -0.21 0.00 0.00 178.00 178.28 3dye h VAL 116 N 0.91 1.26 -0.41 3.15 2.07 -1.22 -1.05 116.25 120.95 3dye h VAL 116 Ca 0.28 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.90 3dye h VAL 116 Cb 0.00 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3dye h VAL 116 CO -0.07 0.31 0.06 -0.74 0.02 0.00 0.00 177.57 177.15 3dye h HIS 117 N 0.37 0.09 -0.39 1.57 6.17 -0.62 -0.04 115.15 122.29 3dye h HIS 117 Ca 0.09 0.03 -0.14 0.00 0.71 0.00 0.00 60.37 61.05 3dye h HIS 117 Cb 0.45 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.39 3dye h HIS 117 CO 0.04 -0.02 -0.33 0.87 0.71 0.00 0.00 177.93 179.20 3dye h LYS 118 N 0.18 0.87 0.00 5.26 1.57 -1.20 -0.17 116.57 123.09 3dye h LYS 118 Ca 0.20 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3dye h LYS 118 Cb 0.26 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3dye h LYS 118 CO -0.28 1.07 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 3dye h ALA 119 N 0.89 1.00 -0.11 3.86 0.00 -0.84 -3.32 119.26 120.74 3dye h ALA 119 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 3dye h ALA 119 Cb 0.90 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.35 3dye h ALA 119 CO 0.08 0.00 -0.97 0.72 0.00 0.00 0.00 179.25 179.08 3dye n HIS 120 N -2.96 0.35 0.23 0.00 8.25 -0.06 -4.94 115.22 116.09 3dye n HIS 120 Ca 0.03 -1.03 -0.15 0.00 -0.26 0.00 0.00 57.72 56.31 3dye n HIS 120 Cb 0.43 -0.19 -0.07 0.00 1.12 0.00 0.00 29.99 31.28 3dye n HIS 120 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3dye h LYS 121 N 1.35 -0.63 -0.66 -0.41 3.64 -1.12 -1.06 116.57 117.67 3dye h LYS 121 Ca -0.15 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3dye h LYS 121 Cb 1.64 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.57 3dye h LYS 121 CO 0.13 -0.42 0.33 -0.44 -2.27 0.00 0.00 179.45 176.78 3dye h ASP 122 N -0.65 0.86 -0.23 4.20 3.32 -1.91 0.35 116.42 122.36 3dye h ASP 122 Ca -0.03 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.92 3dye h ASP 122 Cb 0.56 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3dye h ASP 122 CO -0.01 0.73 0.10 0.74 -1.72 0.00 0.00 179.24 179.09 3dye h THR 123 N 0.91 0.97 -0.30 0.35 2.02 -1.91 -0.45 112.91 114.51 3dye h THR 123 Ca 0.23 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.22 3dye h THR 123 Cb 0.09 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3dye h THR 123 CO -0.03 0.04 -0.25 0.77 0.37 0.00 0.00 175.52 176.42 3dye h SER 124 N 0.22 0.75 -0.30 4.18 4.64 -0.97 -2.19 113.55 119.87 3dye h SER 124 Ca 0.10 -0.45 0.02 0.00 -0.47 0.00 0.00 61.79 60.98 3dye h SER 124 Cb 0.04 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 3dye h SER 124 CO -0.08 1.04 0.15 0.50 -0.87 0.00 0.00 176.83 177.57 3dye h LYS 125 N 0.46 0.30 -0.17 4.77 3.64 -0.81 -0.87 116.57 123.88 3dye h LYS 125 Ca 0.05 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3dye h LYS 125 Cb 0.81 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3dye h LYS 125 CO 0.07 0.20 0.08 -0.91 -2.27 0.00 0.00 179.45 176.61 3dye h ASN 126 N 0.31 0.23 -0.84 4.20 2.35 -1.07 0.26 115.58 121.03 3dye h ASN 126 Ca 0.13 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3dye h ASN 126 Cb 0.05 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 3dye h ASN 126 CO -0.09 0.30 0.41 -0.07 -1.65 0.00 0.00 177.43 176.34 3dye h LEU 127 N 0.14 1.09 -3.79 1.61 3.38 -1.19 -3.18 115.31 113.37 3dye h LEU 127 Ca 0.06 -0.12 -0.38 0.00 0.09 0.00 0.00 57.88 57.52 3dye h LEU 127 Cb 0.14 -0.28 -0.23 0.00 0.09 0.00 0.00 40.66 40.38 3dye h LEU 127 CO -0.01 0.91 0.41 0.49 0.09 0.00 0.00 178.44 180.34 3dye n PHE 128 N -4.31 2.47 -3.14 1.13 3.72 -0.35 -4.92 117.46 112.06 3dye n PHE 128 Ca 0.08 -1.67 -0.18 0.00 -0.05 0.00 0.00 57.45 55.63 3dye n PHE 128 Cb 0.13 -0.79 0.05 0.00 -0.94 0.00 0.00 39.48 37.93 3dye n PHE 128 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3dye n HIS 129 N -0.98 -1.92 0.89 1.38 8.25 -1.16 -4.88 115.22 116.80 3dye n HIS 129 Ca 0.50 0.63 0.09 0.00 -0.26 0.00 0.00 57.72 58.68 3dye n HIS 129 Cb 1.47 -3.90 -0.08 0.00 1.12 0.00 0.00 29.99 28.60 3dye n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dye n GLY 130 N -1.53 -0.54 3.57 -1.41 0.00 0.90 -4.88 105.19 101.31 3dye n GLY 130 Ca -0.03 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 3dye n GLY 130 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dye s ASN 131 N -2.62 6.53 0.22 1.61 3.84 -1.14 -4.92 114.94 118.46 3dye s ASN 131 Ca 0.10 0.21 -0.08 0.00 0.21 0.00 0.00 52.86 53.30 3dye s ASN 131 Cb 0.15 -2.46 0.26 0.00 -0.55 0.00 0.00 41.25 38.64 3dye s ASN 131 CO 0.69 -1.04 1.83 0.11 -2.79 0.00 0.00 177.10 175.90 3dye h LYS 132 N 9.01 0.76 -0.03 0.43 1.57 -1.95 0.95 116.57 127.32 3dye h LYS 132 Ca -0.24 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3dye h LYS 132 Cb 1.07 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3dye h LYS 132 CO 1.03 0.51 0.00 1.49 -0.57 0.00 0.00 179.45 181.91 3dye h GLU 133 N 0.79 0.04 -0.69 3.15 4.81 -1.99 -0.66 114.58 120.03 3dye h GLU 133 Ca 0.32 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 3dye h GLU 133 Cb 0.15 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3dye h GLU 133 CO -0.17 0.30 0.17 -0.07 -0.73 0.00 0.00 179.01 178.51 3dye h LEU 134 N -0.22 1.04 -0.44 1.64 3.38 -1.92 -2.60 115.31 116.19 3dye h LEU 134 Ca 0.01 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 3dye h LEU 134 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3dye h LEU 134 CO 0.00 1.00 -0.23 0.74 0.09 0.00 0.00 178.44 180.04 3dye h THR 135 N 1.03 1.27 -0.64 0.22 2.02 -0.79 -2.09 112.91 113.94 3dye h THR 135 Ca 0.22 -1.39 0.08 0.00 0.77 0.00 0.00 66.41 66.09 3dye h THR 135 Cb 0.36 1.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 3dye h THR 135 CO 0.00 0.47 0.30 0.50 0.37 0.00 0.00 175.52 177.17 3dye h LYS 136 N 0.78 0.52 -0.91 6.66 3.64 -1.02 -0.47 116.57 125.77 3dye h LYS 136 Ca 0.10 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3dye h LYS 136 Cb 0.81 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 3dye h LYS 136 CO 0.07 0.34 0.60 0.78 -2.27 0.00 0.00 179.45 178.97 3dye h GLY 137 N 0.53 1.28 1.03 5.01 0.00 -1.20 -1.19 103.07 108.54 3dye h GLY 137 Ca 0.31 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 3dye h GLY 137 CO -0.25 0.46 -0.25 1.41 0.00 0.00 0.00 176.54 177.90 3dye h LEU 138 N 1.22 0.86 -0.98 3.11 3.38 -0.69 -1.55 115.31 120.67 3dye h LEU 138 Ca 0.34 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3dye h LEU 138 Cb -0.13 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.34 3dye h LEU 138 CO -0.08 1.11 0.54 1.88 0.09 0.00 0.00 178.44 181.98 3dye h TYR 139 N 0.62 1.21 -0.43 1.13 0.05 -0.89 -0.38 116.97 118.27 3dye h TYR 139 Ca 0.07 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.75 3dye h TYR 139 Cb 0.82 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 3dye h TYR 139 CO 0.06 0.81 -0.10 0.93 -1.05 0.00 0.00 178.16 178.81 3dye h GLU 140 N 1.26 0.83 -0.35 4.88 5.08 -1.05 0.22 114.58 125.46 3dye h GLU 140 Ca 0.32 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dye h GLU 140 Cb -0.03 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3dye h GLU 140 CO -0.06 0.95 0.20 0.87 -1.00 0.00 0.00 179.01 179.96 3dye h LYS 141 N 0.66 0.48 -0.19 2.33 1.57 -1.05 -3.22 116.57 117.15 3dye h LYS 141 Ca 0.11 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.64 3dye h LYS 141 Cb 0.63 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3dye h LYS 141 CO 0.04 0.38 -0.68 -0.07 -0.57 0.00 0.00 179.45 178.55 3dye h LEU 142 N 0.44 0.86 0.00 2.94 3.38 -0.94 -3.48 115.31 118.52 3dye h LEU 142 Ca 0.12 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3dye h LEU 142 Cb 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3dye h LEU 142 CO -0.02 1.30 0.00 0.61 0.09 0.00 0.00 178.44 180.42 3dye n GLY 143 N 0.53 3.48 0.01 0.83 0.00 0.78 -1.70 105.19 109.13 3dye n GLY 143 Ca -0.06 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.04 3dye n GLY 143 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dye n LYS 144 N 14.00 0.01 0.00 1.61 2.85 -1.26 -2.89 118.16 132.48 3dye n LYS 144 Ca 0.00 0.40 0.13 0.00 -1.05 0.00 0.00 58.31 57.79 3dye n LYS 144 Cb 0.00 -1.54 0.47 0.00 -0.65 0.00 0.00 35.03 33.31 3dye n LYS 144 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3dye n ASP 145 N -1.56 0.70 -4.03 -5.58 8.00 -0.69 -4.79 116.55 108.60 3dye n ASP 145 Ca 0.01 -0.64 -0.15 0.00 0.71 0.00 0.00 54.79 54.73 3dye n ASP 145 Cb 0.08 0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.09 3dye n ASP 145 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3dye s ILE 146 N -2.56 0.55 0.12 0.53 2.07 -1.14 -5.11 121.20 115.65 3dye s ILE 146 Ca 0.24 -0.76 -0.33 0.00 -1.41 0.00 0.00 60.65 58.40 3dye s ILE 146 Cb 0.19 -0.55 -0.13 0.00 0.13 0.00 0.00 42.46 42.11 3dye s ILE 146 CO 0.52 -0.16 1.71 -1.14 -1.91 0.00 0.00 174.94 173.96 3dye n ARG 147 N 2.05 2.42 -3.56 3.50 0.00 -1.26 -4.83 116.66 114.98 3dye n ARG 147 Ca -0.19 0.88 -0.28 0.00 -0.00 0.00 0.00 57.85 58.26 3dye n ARG 147 Cb 0.56 -2.70 -0.03 0.00 0.00 0.00 0.00 32.46 30.29 3dye n ARG 147 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3dye s GLN 148 N 1.83 3.56 0.32 -0.14 -1.52 -1.26 -4.77 119.66 117.68 3dye s GLN 148 Ca 0.81 -0.22 -0.29 0.00 -1.95 0.00 0.00 55.36 53.71 3dye s GLN 148 Cb -0.60 -2.77 -0.13 0.00 -0.22 0.00 0.00 33.01 29.29 3dye s GLN 148 CO 0.39 0.33 1.28 1.63 -0.25 0.00 0.00 175.29 178.67 3dye n LYS 149 N -0.79 2.02 -1.04 2.91 5.02 -1.26 -1.79 118.16 123.24 3dye n LYS 149 Ca -0.04 0.71 -0.01 0.00 -2.02 0.00 0.00 58.31 56.95 3dye n LYS 149 Cb 0.54 -2.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.26 3dye n LYS 149 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dye n LYS 150 N 0.85 -0.70 -4.40 1.97 5.02 -1.22 -5.00 118.16 114.68 3dye n LYS 150 Ca 0.07 0.28 -0.34 0.00 -2.02 0.00 0.00 58.31 56.30 3dye n LYS 150 Cb 0.35 -3.87 -0.13 0.00 -0.02 0.00 0.00 35.03 31.35 3dye n LYS 150 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3dye s GLN 151 N -1.04 3.52 0.20 1.97 0.74 -0.74 -4.87 119.66 119.44 3dye s GLN 151 Ca 0.00 -0.59 -0.32 0.00 0.05 0.00 0.00 55.36 54.49 3dye s GLN 151 Cb 0.00 -2.86 -0.14 0.00 1.10 0.00 0.00 33.01 31.11 3dye s GLN 151 CO 0.00 0.13 1.34 0.45 -0.55 0.00 0.00 175.29 176.67 3dye n SER 152 N 3.83 2.26 0.08 6.67 2.88 -1.26 -4.43 113.62 123.65 3dye n SER 152 Ca -0.18 1.13 0.02 0.00 -1.33 0.00 0.00 58.87 58.52 3dye n SER 152 Cb 0.52 -1.34 0.39 0.00 -0.75 0.00 0.00 64.21 63.03 3dye n SER 152 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3dye h TYR 153 N 4.17 0.34 -0.36 0.66 3.20 -1.85 -1.70 116.97 121.42 3dye h TYR 153 Ca -0.45 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 3dye h TYR 153 Cb 1.30 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 3dye h TYR 153 CO 0.57 0.38 0.19 0.74 -1.64 0.00 0.00 178.16 178.40 3dye h PHE 154 N 0.32 0.51 -0.72 -3.82 0.05 -1.89 -2.03 116.94 109.35 3dye h PHE 154 Ca 0.07 -0.02 0.03 0.00 3.82 0.00 0.00 57.97 61.87 3dye h PHE 154 Cb 0.29 -0.16 -0.04 0.00 2.00 0.00 0.00 35.95 38.03 3dye h PHE 154 CO 0.01 0.41 0.46 1.49 -0.18 0.00 0.00 178.31 180.50 3dye h GLU 155 N 0.46 0.88 -0.20 1.51 4.81 -1.83 -0.02 114.58 120.18 3dye h GLU 155 Ca 0.13 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3dye h GLU 155 Cb 0.08 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 3dye h GLU 155 CO -0.02 0.58 -0.08 0.35 -0.73 0.00 0.00 179.01 179.12 3dye h PHE 156 N 0.90 -0.18 -0.30 0.92 3.57 -0.99 -0.13 116.94 120.73 3dye h PHE 156 Ca 0.29 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 3dye h PHE 156 Cb -0.01 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3dye h PHE 156 CO -0.04 -0.12 -0.11 0.00 -2.23 0.00 0.00 178.31 175.81 3dye h GLU 158 N 0.37 0.77 -0.11 0.00 5.08 -0.79 -1.48 114.58 118.42 3dye h GLU 158 Ca 0.07 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3dye h GLU 158 Cb 0.61 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3dye h GLU 158 CO 0.04 0.51 -0.42 -0.91 -1.00 0.00 0.00 179.01 177.23 3dye h ASN 159 N 0.79 0.27 -0.38 1.42 2.35 -0.96 0.24 115.58 119.32 3dye h ASN 159 Ca 0.32 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 3dye h ASN 159 Cb 0.17 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3dye h ASN 159 CO -0.17 0.66 -0.19 0.50 -1.65 0.00 0.00 177.43 176.58 3dye h LYS 160 N 0.22 0.80 0.00 0.81 3.64 -0.95 -3.23 116.57 117.86 3dye h LYS 160 Ca 0.02 -0.35 -0.12 0.00 -1.27 0.00 0.00 60.65 58.92 3dye h LYS 160 Cb 0.83 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 3dye h LYS 160 CO 0.07 0.98 -1.93 0.66 -2.27 0.00 0.00 179.45 176.96 3dye n TYR 161 N -4.26 0.00 -3.32 1.91 4.01 -0.62 -4.62 117.16 110.27 3dye n TYR 161 Ca -0.02 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.47 3dye n TYR 161 Cb 0.42 -0.57 -0.08 0.00 -0.31 0.00 0.00 39.34 38.81 3dye n TYR 161 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3dye n TYR 162 N -2.31 1.67 -2.05 -0.72 4.01 0.85 -4.99 117.16 113.61 3dye n TYR 162 Ca -0.13 -3.86 -0.39 0.00 -0.16 0.00 0.00 57.90 53.35 3dye n TYR 162 Cb 0.69 -0.45 -0.00 0.00 -0.31 0.00 0.00 39.34 39.27 3dye n TYR 162 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3dye s PRO 163 N -1.81 3.92 0.40 -0.72 0.02 -1.22 -4.42 135.00 131.17 3dye s PRO 163 Ca 0.37 2.14 -0.27 0.00 0.02 0.00 0.00 61.00 63.27 3dye s PRO 163 Cb 0.15 -2.72 -0.10 0.00 0.02 0.00 0.00 34.50 31.85 3dye s PRO 163 CO -0.06 -0.53 1.35 0.00 -0.33 0.00 0.00 177.00 177.43 3dye n ALA 164 N 0.05 1.64 -0.05 -1.55 0.00 -1.26 -2.14 120.51 117.19 3dye n ALA 164 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3dye n ALA 164 Cb 0.44 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3dye n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dye n GLY 165 N 0.69 2.05 3.97 0.00 0.00 -1.26 -5.03 105.19 105.61 3dye n GLY 165 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3dye n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dye s SER 166 N -3.40 5.79 0.00 1.61 1.04 -0.91 -4.99 113.70 112.84 3dye s SER 166 Ca 0.00 0.04 0.20 0.00 0.48 0.00 0.00 55.95 56.67 3dye s SER 166 Cb 0.00 -1.29 0.94 0.00 0.10 0.00 0.00 66.02 65.77 3dye s SER 166 CO 0.00 -0.68 1.62 -0.90 0.98 0.00 0.00 173.24 174.26 3dye n ASP 167 N -1.96 0.00 0.10 7.02 5.75 -1.26 -2.74 116.55 123.47 3dye n ASP 167 Ca 0.02 0.18 0.05 0.00 -0.01 0.00 0.00 54.79 55.04 3dye n ASP 167 Cb 0.58 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 3dye n ASP 167 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3dye h LYS 168 N 0.00 0.00 -0.99 0.11 1.57 -1.94 -3.39 116.57 111.93 3dye h LYS 168 Ca 0.00 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 3dye h LYS 168 Cb 0.24 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.45 3dye h LYS 168 CO 0.00 0.23 0.61 -0.09 -0.57 0.00 0.00 179.45 179.62 3dye h ARG 169 N 0.00 0.83 -0.13 3.15 9.65 -1.66 -1.80 114.38 124.43 3dye h ARG 169 Ca -0.06 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.81 3dye h ARG 169 Cb 1.30 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 3dye h ARG 169 CO 0.03 0.55 0.18 -0.56 2.80 0.00 0.00 179.97 182.98 3dye h GLN 170 N 0.86 0.00 0.00 0.20 3.07 -1.81 -1.93 115.11 115.50 3dye h GLN 170 Ca 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 59.25 3dye h GLN 170 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.25 3dye h GLN 170 CO -0.33 0.00 -0.09 1.96 0.09 0.00 0.00 178.83 180.46 3dye h GLN 171 N 0.00 0.00 0.00 0.06 4.20 -1.62 -2.83 115.11 114.92 3dye h GLN 171 Ca 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3dye h GLN 171 Cb 0.43 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 3dye h GLN 171 CO -0.00 0.09 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.10 3dye h LEU 172 N 0.00 0.00 -0.38 1.46 3.38 -1.53 -1.43 115.31 116.81 3dye h LEU 172 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3dye h LEU 172 Cb 0.44 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3dye h LEU 172 CO 0.01 0.08 0.06 0.00 0.09 0.00 0.00 178.44 178.68 3dye h GLN 174 N 0.18 0.30 -0.49 0.00 4.20 -1.67 -3.30 115.11 114.32 3dye h GLN 174 Ca 0.18 -0.34 0.08 0.00 0.06 0.00 0.00 58.65 58.63 3dye h GLN 174 Cb 0.23 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.05 3dye h GLN 174 CO -0.26 1.05 0.11 0.82 -0.67 0.00 0.00 178.83 179.89 3dye h ILE 175 N -0.32 0.75 0.00 2.54 2.04 -1.17 -0.34 117.51 121.01 3dye h ILE 175 Ca -0.07 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3dye h ILE 175 Cb 1.24 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3dye h ILE 175 CO 0.09 0.05 0.00 0.54 0.00 0.00 0.00 178.15 178.83 3dye n ARG 176 N -5.09 0.06 -1.10 2.37 1.74 -0.11 -1.54 116.66 112.99 3dye n ARG 176 Ca 0.05 0.31 -0.15 0.00 -0.77 0.00 0.00 57.85 57.30 3dye n ARG 176 Cb 0.23 -1.62 0.23 0.00 -1.02 0.00 0.00 32.46 30.29 3dye n ARG 176 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3dye n GLN 177 N -1.73 2.79 -2.28 5.56 1.13 -0.17 -4.93 117.38 117.75 3dye n GLN 177 Ca 0.03 -3.06 -0.21 0.00 -1.94 0.00 0.00 57.00 51.83 3dye n GLN 177 Cb 0.18 -2.15 -0.02 0.00 0.11 0.00 0.00 30.24 28.36 3dye n GLN 177 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3dye n TYR 178 N -0.76 -0.87 -2.41 1.08 4.01 -0.59 -4.97 117.16 112.65 3dye n TYR 178 Ca 0.49 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.81 3dye n TYR 178 Cb 1.49 -3.86 -0.03 0.00 -0.31 0.00 0.00 39.34 36.64 3dye n TYR 178 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3dye s THR 179 N -2.98 4.13 -0.44 -0.72 2.01 -1.01 -4.99 115.64 111.63 3dye s THR 179 Ca 0.00 1.47 -0.20 0.00 0.31 0.00 0.00 61.69 63.27 3dye s THR 179 Cb 0.00 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.59 3dye s THR 179 CO 0.00 0.00 0.61 -0.69 -0.69 0.00 0.00 174.62 173.86 3dye s VAL 180 N 2.21 4.87 0.70 3.82 1.01 -1.26 -4.55 120.40 127.20 3dye s VAL 180 Ca 0.58 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 3dye s VAL 180 Cb -0.26 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.00 3dye s VAL 180 CO 0.23 -0.59 1.00 -0.76 0.00 0.00 0.00 175.10 174.98 3dye s LEU 181 N 2.71 2.87 0.00 3.92 1.43 -1.26 -5.04 118.68 123.32 3dye s LEU 181 Ca 0.20 0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.69 3dye s LEU 181 Cb -0.15 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 3dye s LEU 181 CO 0.18 -1.62 0.35 0.47 0.23 0.00 0.00 176.35 175.96 3dye n ASP 182 N -2.89 0.61 -4.91 2.29 9.92 -1.26 -4.87 116.55 115.44 3dye n ASP 182 Ca 0.09 -0.81 -0.27 0.00 -0.53 0.00 0.00 54.79 53.27 3dye n ASP 182 Cb 0.60 0.68 -0.00 0.00 -0.64 0.00 0.00 41.12 41.77 3dye n ASP 182 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 3dye s ASP 183 N -1.13 6.21 0.24 -2.24 -4.77 -1.26 -4.91 116.67 108.81 3dye s ASP 183 Ca 0.03 0.83 -0.04 0.00 -3.30 0.00 0.00 52.55 50.07 3dye s ASP 183 Cb 0.04 -2.16 0.45 0.00 -1.09 0.00 0.00 42.92 40.16 3dye s ASP 183 CO 0.16 -0.57 1.73 0.00 0.70 0.00 0.00 175.17 177.18 3dye h ALA 184 N 0.28 1.05 -0.38 2.11 0.00 -1.99 -1.69 119.26 118.64 3dye h ALA 184 Ca -0.47 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3dye h ALA 184 Cb 1.21 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3dye h ALA 184 CO 0.61 -0.22 0.24 1.25 0.00 0.00 0.00 179.25 181.13 3dye h LEU 185 N 0.43 0.40 -0.94 0.00 5.85 -1.99 -0.84 115.31 118.22 3dye h LEU 185 Ca 0.41 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.07 3dye h LEU 185 Cb 0.63 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3dye h LEU 185 CO -0.41 0.29 0.12 0.15 -0.34 0.00 0.00 178.44 178.24 3dye h PHE 186 N 0.48 0.93 -0.70 1.25 3.57 -1.79 -0.32 116.94 120.36 3dye h PHE 186 Ca 0.14 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3dye h PHE 186 Cb -0.03 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 3dye h PHE 186 CO -0.06 0.78 0.24 0.87 -2.23 0.00 0.00 178.31 177.92 3dye h LYS 187 N 0.85 1.06 -0.32 1.11 1.57 -0.79 0.57 116.57 120.62 3dye h LYS 187 Ca 0.18 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3dye h LYS 187 Cb 0.34 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3dye h LYS 187 CO 0.00 0.89 0.04 0.93 -0.57 0.00 0.00 179.45 180.74 3dye h GLU 188 N 1.03 0.54 -0.36 3.15 5.08 -0.75 -1.09 114.58 122.18 3dye h GLU 188 Ca 0.23 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3dye h GLU 188 Cb 0.25 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3dye h GLU 188 CO -0.01 0.64 0.23 1.25 -1.00 0.00 0.00 179.01 180.12 3dye h HIS 189 N 0.36 0.44 -0.30 4.33 2.76 -0.79 -1.54 115.15 120.43 3dye h HIS 189 Ca 0.10 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 3dye h HIS 189 Cb 0.37 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 3dye h HIS 189 CO 0.03 0.28 -0.12 1.15 -1.30 0.00 0.00 177.93 177.96 3dye h THR 190 N 0.48 1.23 -0.57 6.26 2.02 -0.80 -1.02 112.91 120.52 3dye h THR 190 Ca 0.13 -1.02 0.01 0.00 0.77 0.00 0.00 66.41 66.30 3dye h THR 190 Cb -0.05 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3dye h THR 190 CO -0.03 0.33 0.37 -0.78 0.37 0.00 0.00 175.52 175.78 3dye h ASP 191 N 0.47 0.64 -0.32 4.18 3.58 -0.89 0.53 116.42 124.61 3dye h ASP 191 Ca 0.09 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.55 3dye h ASP 191 Cb 0.49 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 3dye h ASP 191 CO 0.03 0.46 0.14 0.00 -2.88 0.00 0.00 179.24 176.99 3dye h VAL 193 N 0.30 1.38 -0.76 0.00 2.07 -1.01 -1.31 116.25 116.93 3dye h VAL 193 Ca 0.14 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 3dye h VAL 193 Cb 0.08 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 3dye h VAL 193 CO -0.11 0.30 0.33 0.24 0.02 0.00 0.00 177.57 178.34 3dye h MET 194 N -0.46 1.10 -0.10 1.57 2.07 -0.86 -1.24 114.93 117.02 3dye h MET 194 Ca 0.00 -0.17 -0.17 0.00 -2.07 0.00 0.00 59.70 57.29 3dye h MET 194 Cb 0.49 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 30.02 3dye h MET 194 CO 0.00 0.87 -0.65 0.87 1.07 0.00 0.00 176.91 179.08 3dye h LYS 195 N 1.08 0.38 -0.35 1.72 1.57 -1.34 -0.84 116.57 118.79 3dye h LYS 195 Ca 0.26 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3dye h LYS 195 Cb 0.16 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3dye h LYS 195 CO -0.03 0.90 -0.04 0.78 -0.57 0.00 0.00 179.45 180.49 3dye h GLY 196 N 1.31 0.61 -2.73 3.86 0.00 -0.14 -2.01 103.07 103.97 3dye h GLY 196 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3dye h GLY 196 CO 0.11 0.36 0.00 0.29 0.00 0.00 0.00 176.54 177.30 3dye n ILE 197 N -4.24 1.28 -1.50 2.60 -5.35 -0.58 -4.97 119.36 106.59 3dye n ILE 197 Ca 0.01 -1.07 -0.11 0.00 -0.27 0.00 0.00 62.75 61.31 3dye n ILE 197 Cb 0.28 0.37 -0.04 0.00 -1.74 0.00 0.00 39.64 38.51 3dye n ILE 197 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3dye n ARG 198 N 1.41 -0.82 0.16 6.28 3.00 -0.76 -4.87 116.66 121.06 3dye n ARG 198 Ca 0.24 0.84 0.02 0.00 -0.01 0.00 0.00 57.85 58.94 3dye n ARG 198 Cb 0.70 -4.85 0.22 0.00 0.00 0.00 0.00 32.46 28.53 3dye n ARG 198 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 3dye h TYR 199 N 0.00 0.00 -3.40 -1.55 -1.99 -1.43 -3.42 116.97 105.17 3dye h TYR 199 Ca -0.24 0.00 -0.64 0.00 2.00 0.00 0.00 58.73 59.85 3dye h TYR 199 Cb 0.84 0.00 -0.33 0.00 2.00 0.00 0.00 36.73 39.24 3dye h TYR 199 CO 0.32 0.51 -0.86 0.42 -0.00 0.00 0.00 178.16 178.55 3dye s ILE 200 N -3.48 1.82 0.80 -2.88 -1.09 -1.06 -0.58 121.20 114.72 3dye s ILE 200 Ca 0.00 -0.88 -0.11 0.00 -2.23 0.00 0.00 60.65 57.42 3dye s ILE 200 Cb 0.11 -1.59 0.07 0.00 -1.58 0.00 0.00 42.46 39.47 3dye s ILE 200 CO 0.73 0.51 1.10 0.42 -1.23 0.00 0.00 174.94 176.46 3dye s THR 201 N 0.39 3.08 0.44 2.92 -4.23 0.44 -4.20 115.64 114.48 3dye s THR 201 Ca -0.17 0.35 0.19 0.00 -1.18 0.00 0.00 61.69 60.88 3dye s THR 201 Cb -0.17 -3.10 0.38 0.00 1.34 0.00 0.00 72.50 70.95 3dye s THR 201 CO 0.07 -0.46 1.90 0.50 -0.54 0.00 0.00 174.62 176.09 3dye h LYS 202 N -1.08 0.32 -0.02 3.99 3.64 -1.91 0.31 116.57 121.81 3dye h LYS 202 Ca -0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3dye h LYS 202 Cb 1.27 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3dye h LYS 202 CO 0.59 0.21 0.00 -3.47 -2.27 0.00 0.00 179.45 174.52 3dye n ASP 203 N -4.46 0.16 -1.56 4.20 2.03 -1.26 -4.90 116.55 110.76 3dye n ASP 203 Ca 0.16 -1.62 -0.12 0.00 0.52 0.00 0.00 54.79 53.73 3dye n ASP 203 Cb 0.64 -0.01 0.01 0.00 -0.72 0.00 0.00 41.12 41.04 3dye n ASP 203 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3dye n ASN 204 N -0.60 -3.95 -4.57 1.67 5.15 0.11 -5.03 115.26 108.04 3dye n ASN 204 Ca 0.10 -0.08 -0.31 0.00 -0.60 0.00 0.00 54.58 53.69 3dye n ASN 204 Cb 0.07 -3.01 -0.10 0.00 -0.53 0.00 0.00 39.78 36.21 3dye n ASN 204 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3dye s GLN 205 N -4.87 2.31 0.25 1.20 -1.52 -1.26 -4.84 119.66 110.94 3dye s GLN 205 Ca 0.08 -0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 52.30 3dye s GLN 205 Cb -0.04 -2.38 -0.10 0.00 -0.22 0.00 0.00 33.01 30.28 3dye s GLN 205 CO 0.10 0.55 1.44 -1.17 -0.25 0.00 0.00 175.29 175.96 3dye s LEU 206 N -1.78 4.39 -0.58 2.90 2.96 -1.26 -0.42 118.68 124.89 3dye s LEU 206 Ca 0.19 2.66 -0.01 0.00 -0.22 0.00 0.00 54.13 56.75 3dye s LEU 206 Cb -0.11 -3.62 0.15 0.00 0.50 0.00 0.00 46.19 43.11 3dye s LEU 206 CO 0.10 -0.70 0.38 -0.62 -1.32 0.00 0.00 176.35 174.19 3dye s ASP 207 N 0.37 5.07 0.35 3.68 -1.08 0.25 -4.88 116.67 120.43 3dye s ASP 207 Ca 0.59 -2.79 0.04 0.00 -0.52 0.00 0.00 52.55 49.87 3dye s ASP 207 Cb -0.42 -1.81 0.68 0.00 -1.46 0.00 0.00 42.92 39.91 3dye s ASP 207 CO 0.43 -0.36 1.99 0.58 0.52 0.00 0.00 175.17 178.33 3dye h VAL 208 N 5.45 1.10 -0.05 1.11 2.07 -1.94 -2.32 116.25 121.67 3dye h VAL 208 Ca -0.04 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 3dye h VAL 208 Cb 0.95 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3dye h VAL 208 CO 0.70 0.15 -0.26 -0.33 0.02 0.00 0.00 177.57 177.85 3dye h GLU 209 N 0.82 0.08 -0.28 1.57 4.39 -1.96 -0.38 114.58 118.82 3dye h GLU 209 Ca 0.27 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.83 3dye h GLU 209 Cb 0.05 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3dye h GLU 209 CO -0.07 0.34 -0.26 1.49 -1.16 0.00 0.00 179.01 179.35 3dye h GLU 210 N 0.07 0.66 -0.41 2.33 4.57 -1.72 -0.32 114.58 119.76 3dye h GLU 210 Ca 0.01 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 57.84 3dye h GLU 210 Cb 0.51 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 3dye h GLU 210 CO 0.04 0.95 0.23 0.28 -1.18 0.00 0.00 179.01 179.33 3dye h VAL 211 N 0.39 1.15 -0.93 0.32 2.07 -1.39 -2.44 116.25 115.43 3dye h VAL 211 Ca 0.05 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3dye h VAL 211 Cb 0.82 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3dye h VAL 211 CO 0.07 0.15 0.60 0.11 0.02 0.00 0.00 177.57 178.52 3dye h LYS 212 N 0.54 1.12 -0.67 1.57 1.57 -1.03 -1.87 116.57 117.80 3dye h LYS 212 Ca 0.15 -0.07 0.10 0.00 -1.87 0.00 0.00 60.65 58.96 3dye h LYS 212 Cb 0.04 -0.25 -0.08 0.00 0.08 0.00 0.00 32.23 32.02 3dye h LYS 212 CO -0.02 0.74 0.28 -0.09 -0.57 0.00 0.00 179.45 179.79 3dye h ARG 213 N 1.15 0.46 -0.05 3.15 2.43 -0.59 -0.19 114.38 120.74 3dye h ARG 213 Ca 0.37 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.34 3dye h ARG 213 Cb 0.03 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3dye h ARG 213 CO -0.13 0.31 -0.73 -0.44 -1.51 0.00 0.00 179.97 177.46 3dye h ASP 214 N 0.48 0.36 -0.31 -3.80 3.32 -1.06 -2.05 116.42 113.36 3dye h ASP 214 Ca 0.34 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3dye h ASP 214 Cb 0.42 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3dye h ASP 214 CO -0.31 0.97 0.17 -0.26 -1.72 0.00 0.00 179.24 178.09 3dye h PHE 215 N 0.20 0.42 -0.33 4.55 -1.00 -0.79 -2.73 116.94 117.27 3dye h PHE 215 Ca -0.03 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 3dye h PHE 215 Cb 1.30 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.71 3dye h PHE 215 CO 0.03 0.34 0.10 0.87 -1.61 0.00 0.00 178.31 178.05 3dye h LYS 216 N 0.38 0.47 0.00 1.51 1.79 -0.91 -1.49 116.57 118.32 3dye h LYS 216 Ca 0.11 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 3dye h LYS 216 Cb 0.05 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 3dye h LYS 216 CO -0.02 0.42 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.61 3dye h LEU 217 N 0.47 0.00 -3.56 2.94 3.38 -1.08 -1.16 115.31 116.29 3dye h LEU 217 Ca 0.11 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 3dye h LEU 217 Cb 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 3dye h LEU 217 CO -0.01 0.09 0.14 1.33 0.09 0.00 0.00 178.44 180.09 3dye n VAL 218 N -3.27 2.73 -3.50 1.22 0.24 -0.84 -4.71 118.33 110.20 3dye n VAL 218 Ca -0.00 -1.84 -0.21 0.00 -2.04 0.00 0.00 64.34 60.24 3dye n VAL 218 Cb 0.32 -0.32 0.08 0.00 -1.47 0.00 0.00 33.84 32.44 3dye n VAL 218 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3dye n ASN 219 N -0.34 -5.26 -4.52 -1.34 5.03 -0.44 -5.01 115.26 103.38 3dye n ASN 219 Ca 0.35 -0.53 -0.31 0.00 0.87 0.00 0.00 54.58 54.96 3dye n ASN 219 Cb 1.21 -4.80 -0.12 0.00 -1.02 0.00 0.00 39.78 35.06 3dye n ASN 219 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3dye s LYS 220 N -6.03 2.31 0.63 3.52 -0.14 -0.62 -5.01 119.74 114.39 3dye s LYS 220 Ca 0.43 -0.85 -0.16 0.00 -1.36 0.00 0.00 55.97 54.03 3dye s LYS 220 Cb -0.19 -2.34 -0.02 0.00 -1.68 0.00 0.00 37.83 33.60 3dye s LYS 220 CO 0.69 0.57 1.12 0.34 -0.76 0.00 0.00 175.35 177.31 3dye s ASP 221 N -1.42 5.24 0.00 2.83 2.15 -1.26 -4.04 116.67 120.17 3dye s ASP 221 Ca 0.16 2.08 0.05 0.00 0.43 0.00 0.00 52.55 55.27 3dye s ASP 221 Cb -0.11 -2.56 0.11 0.00 -0.30 0.00 0.00 42.92 40.06 3dye s ASP 221 CO 0.06 -1.54 0.97 0.35 -0.17 0.00 0.00 175.17 174.84 3dye n THR 222 N -2.09 0.65 0.06 1.71 -2.24 -1.26 -4.71 114.28 106.41 3dye n THR 222 Ca 0.11 -0.83 -0.12 0.00 -2.27 0.00 0.00 64.05 60.94 3dye n THR 222 Cb 0.52 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 3dye n THR 222 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3dye h LYS 223 N 1.02 -0.12 -0.52 -0.78 3.64 -2.00 -0.95 116.57 116.86 3dye h LYS 223 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3dye h LYS 223 Cb 0.48 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3dye h LYS 223 CO 0.00 -0.08 0.29 0.00 -2.27 0.00 0.00 179.45 177.39 3dye h ALA 224 N 0.83 0.66 -0.46 5.00 0.00 -2.00 -2.35 119.26 120.95 3dye h ALA 224 Ca 0.01 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3dye h ALA 224 Cb 0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 3dye h ALA 224 CO -0.03 0.18 0.05 1.25 0.00 0.00 0.00 179.25 180.70 3dye h LEU 225 N 0.69 -0.08 -0.92 0.00 5.85 -1.80 0.31 115.31 119.36 3dye h LEU 225 Ca 0.18 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 3dye h LEU 225 Cb 0.04 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3dye h LEU 225 CO -0.03 -0.01 0.20 -0.33 -0.34 0.00 0.00 178.44 177.93 3dye h GLU 226 N 0.18 0.99 -0.38 1.25 5.08 -0.88 0.39 114.58 121.22 3dye h GLU 226 Ca 0.23 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3dye h GLU 226 Cb 0.32 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3dye h GLU 226 CO -0.34 0.85 -0.02 0.93 -1.00 0.00 0.00 179.01 179.43 3dye h GLU 227 N 0.96 0.69 0.06 2.33 5.08 -0.95 -0.30 114.58 122.44 3dye h GLU 227 Ca 0.21 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3dye h GLU 227 Cb 0.27 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3dye h GLU 227 CO -0.01 0.80 -0.06 0.28 -1.00 0.00 0.00 179.01 179.02 3dye h VAL 228 N 0.50 0.87 -0.22 3.13 2.07 -0.64 -2.08 116.25 119.89 3dye h VAL 228 Ca 0.11 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 3dye h VAL 228 Cb 0.50 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3dye h VAL 228 CO 0.02 0.00 -0.08 -0.07 0.02 0.00 0.00 177.57 177.46 3dye h LEU 229 N -0.13 0.32 -0.52 2.57 3.38 -0.77 0.37 115.31 120.52 3dye h LEU 229 Ca 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3dye h LEU 229 Cb 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dye h LEU 229 CO -0.02 0.44 0.20 0.78 0.09 0.00 0.00 178.44 179.93 3dye h ASN 230 N 0.32 0.73 -0.40 -0.43 2.35 -0.88 0.10 115.58 117.38 3dye h ASN 230 Ca 0.07 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 3dye h ASN 230 Cb 0.35 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3dye h ASN 230 CO 0.02 0.71 0.05 0.44 -1.65 0.00 0.00 177.43 177.00 3dye h ASP 231 N 0.71 0.65 -0.70 5.81 3.32 -0.66 -2.88 116.42 122.67 3dye h ASP 231 Ca 0.17 -0.28 0.05 0.00 0.02 0.00 0.00 57.03 57.00 3dye h ASP 231 Cb 0.22 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 3dye h ASP 231 CO -0.01 0.76 0.40 0.00 -1.72 0.00 0.00 179.24 178.68 3dye h LYS 233 N 0.75 0.25 0.00 0.00 3.64 -0.84 -1.48 116.57 118.89 3dye h LYS 233 Ca 0.31 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3dye h LYS 233 Cb 0.16 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3dye h LYS 233 CO -0.17 0.38 0.00 -1.13 -2.27 0.00 0.00 179.45 176.26 3dye n SER 234 N -4.28 0.00 -0.06 4.20 3.41 -1.04 -2.40 113.62 113.46 3dye n SER 234 Ca -0.01 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3dye n SER 234 Cb 0.26 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 63.95 3dye n SER 234 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dye n LYS 235 N -1.28 2.96 -1.66 4.33 5.02 -0.58 -5.05 118.16 121.89 3dye n LYS 235 Ca 0.09 -1.54 -0.47 0.00 -2.02 0.00 0.00 58.31 54.37 3dye n LYS 235 Cb 0.15 -1.02 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 3dye n LYS 235 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3dye n GLU 236 N -0.40 2.04 -2.12 1.97 2.13 -1.01 -4.96 120.64 118.28 3dye n GLU 236 Ca 0.01 0.74 -0.32 0.00 0.66 0.00 0.00 57.16 58.25 3dye n GLU 236 Cb 0.26 -2.50 -0.00 0.00 0.27 0.00 0.00 31.44 29.47 3dye n GLU 236 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3dye s PRO 237 N 1.37 3.56 0.14 5.31 0.04 -1.26 -4.99 135.00 139.17 3dye s PRO 237 Ca 0.82 1.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 3dye s PRO 237 Cb -0.71 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 3dye s PRO 237 CO 0.41 -0.60 1.50 0.66 0.04 0.00 0.00 177.00 179.01 3dye h SER 238 N 0.45 0.93 -2.34 6.66 4.64 -2.00 -3.43 113.55 118.45 3dye h SER 238 Ca -0.46 -0.43 -0.57 0.00 -0.47 0.00 0.00 61.79 59.86 3dye h SER 238 Cb 1.20 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3dye h SER 238 CO 0.59 1.15 1.34 0.21 -0.87 0.00 0.00 176.83 179.26 3dye s ASN 239 N -6.67 5.87 0.39 4.97 3.84 -1.26 -4.86 114.94 117.22 3dye s ASN 239 Ca -0.12 1.82 0.10 0.00 0.21 0.00 0.00 52.86 54.88 3dye s ASN 239 Cb 0.11 -2.52 0.89 0.00 -0.55 0.00 0.00 41.25 39.17 3dye s ASN 239 CO 0.86 -1.64 1.95 0.00 -2.79 0.00 0.00 177.10 175.47 3dye h ALA 240 N 13.12 1.88 -0.20 1.71 0.00 -2.00 -1.46 119.26 132.30 3dye h ALA 240 Ca -0.39 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.57 3dye h ALA 240 Cb 1.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3dye h ALA 240 CO 0.98 -0.03 0.16 0.87 0.00 0.00 0.00 179.25 181.24 3dye h LYS 241 N 0.59 0.00 -0.00 0.00 1.57 -1.96 -2.80 116.57 113.97 3dye h LYS 241 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3dye h LYS 241 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3dye h LYS 241 CO -0.11 0.00 -0.59 -1.91 -0.57 0.00 0.00 179.45 176.27 3dye n GLU 242 N -4.29 0.27 -0.06 3.15 2.13 -0.55 -4.54 120.64 116.75 3dye n GLU 242 Ca 0.02 -0.19 -0.10 0.00 0.66 0.00 0.00 57.16 57.55 3dye n GLU 242 Cb 0.30 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.48 3dye n GLU 242 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3dye h LYS 243 N 0.46 0.32 -0.11 5.31 3.64 -1.53 0.11 116.57 124.77 3dye h LYS 243 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3dye h LYS 243 Cb 0.53 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3dye h LYS 243 CO 0.00 0.25 0.07 0.77 -2.27 0.00 0.00 179.45 178.27 3dye h SER 244 N 0.29 0.13 -0.66 4.20 0.02 -1.81 -2.26 113.55 113.45 3dye h SER 244 Ca 0.08 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3dye h SER 244 Cb 0.02 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.48 3dye h SER 244 CO -0.02 0.12 0.39 -0.25 -1.14 0.00 0.00 176.83 175.94 3dye h TRP 245 N 0.13 0.73 -0.30 3.45 7.01 -1.75 -1.64 115.95 123.58 3dye h TRP 245 Ca 0.04 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.13 3dye h TRP 245 Cb 0.01 -0.23 -0.08 0.00 -2.10 0.00 0.00 29.16 26.76 3dye h TRP 245 CO -0.06 0.39 -0.28 1.25 -2.79 0.00 0.00 178.44 176.95 3dye h HIS 246 N 0.75 -0.75 -0.19 2.65 2.76 -0.32 0.46 115.15 120.52 3dye h HIS 246 Ca 0.28 0.05 -0.14 0.00 -2.20 0.00 0.00 60.37 58.35 3dye h HIS 246 Cb 0.09 0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 3dye h HIS 246 CO -0.06 -0.35 -0.48 1.88 -1.30 0.00 0.00 177.93 177.62 3dye h TYR 247 N -0.26 0.60 0.24 5.26 0.05 -1.16 -1.09 116.97 120.60 3dye h TYR 247 Ca 0.15 -0.19 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 3dye h TYR 247 Cb 0.50 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3dye h TYR 247 CO -0.45 0.87 -0.11 -0.92 -1.05 0.00 0.00 178.16 176.50 3dye h TYR 248 N 0.39 -0.30 -0.35 4.88 3.20 -1.00 -1.22 116.97 122.57 3dye h TYR 248 Ca 0.02 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.93 3dye h TYR 248 Cb 0.98 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 3dye h TYR 248 CO 0.04 -0.17 0.09 -0.22 -1.64 0.00 0.00 178.16 176.25 3dye h LYS 249 N -0.33 0.21 -0.27 1.82 3.64 -0.80 -1.00 116.57 119.84 3dye h LYS 249 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3dye h LYS 249 Cb 0.26 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3dye h LYS 249 CO 0.05 0.14 0.14 0.00 -2.27 0.00 0.00 179.45 177.51 3dye h LEU 251 N 0.32 0.23 -1.64 0.00 3.38 -1.02 -2.25 115.31 114.33 3dye h LEU 251 Ca 0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3dye h LEU 251 Cb 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3dye h LEU 251 CO -0.01 0.20 -0.03 0.58 0.09 0.00 0.00 178.44 179.27 3dye h VAL 252 N 0.24 1.11 -0.18 1.22 2.07 -0.93 -2.35 116.25 117.43 3dye h VAL 252 Ca 0.07 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3dye h VAL 252 Cb 0.01 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3dye h VAL 252 CO -0.01 0.14 0.00 -0.62 0.02 0.00 0.00 177.57 177.10 3dye n GLU 253 N -4.39 2.03 -2.61 1.57 1.02 -0.41 -4.71 120.64 113.14 3dye n GLU 253 Ca -0.01 -1.53 -0.22 0.00 -0.02 0.00 0.00 57.16 55.38 3dye n GLU 253 Cb 0.18 -1.45 0.07 0.00 -0.02 0.00 0.00 31.44 30.22 3dye n GLU 253 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3dye s SER 254 N -1.69 4.82 0.00 1.62 1.04 -0.86 -4.97 113.70 113.66 3dye s SER 254 Ca 0.34 -0.19 0.13 0.00 0.48 0.00 0.00 55.95 56.72 3dye s SER 254 Cb 0.20 -0.44 0.65 0.00 0.10 0.00 0.00 66.02 66.53 3dye s SER 254 CO 0.30 -1.51 1.37 -1.54 0.98 0.00 0.00 173.24 172.84 3dye n SER 255 N -2.59 0.00 -1.01 7.02 3.41 -1.26 -1.76 113.62 117.43 3dye n SER 255 Ca 0.12 0.20 0.08 0.00 -0.26 0.00 0.00 58.87 59.01 3dye n SER 255 Cb 0.60 -0.34 0.27 0.00 -0.26 0.00 0.00 64.21 64.48 3dye n SER 255 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3dye n VAL 256 N -1.34 2.25 -0.32 -3.33 0.24 -1.26 -4.79 118.33 109.78 3dye n VAL 256 Ca 0.06 -1.75 0.03 0.00 -2.04 0.00 0.00 64.34 60.63 3dye n VAL 256 Cb 0.12 -0.20 0.18 0.00 -1.47 0.00 0.00 33.84 32.46 3dye n VAL 256 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3dye h LYS 257 N 2.12 0.91 -0.17 7.34 2.10 -1.46 0.14 116.57 127.56 3dye h LYS 257 Ca 0.00 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.56 3dye h LYS 257 Cb 1.46 -0.21 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 3dye h LYS 257 CO 0.24 0.60 -0.02 -0.44 -2.00 0.00 0.00 179.45 177.83 3dye h ASP 258 N 0.94 0.31 -0.92 7.07 3.32 -1.86 -0.54 116.42 124.74 3dye h ASP 258 Ca 0.42 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3dye h ASP 258 Cb 0.31 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3dye h ASP 258 CO -0.22 0.58 0.55 0.44 -1.72 0.00 0.00 179.24 178.87 3dye h ASP 259 N 0.03 1.10 -0.08 6.45 3.32 -1.85 -1.43 116.42 123.95 3dye h ASP 259 Ca 0.04 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3dye h ASP 259 Cb 0.44 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3dye h ASP 259 CO 0.01 0.85 0.05 0.15 -1.72 0.00 0.00 179.24 178.59 3dye h PHE 260 N 1.27 0.11 -0.99 4.55 3.57 -0.50 -0.14 116.94 124.80 3dye h PHE 260 Ca 0.33 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.85 3dye h PHE 260 Cb -0.05 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 3dye h PHE 260 CO 0.01 0.09 0.66 0.87 -2.23 0.00 0.00 178.31 177.70 3dye h LYS 261 N 0.10 1.28 -0.34 1.11 1.57 -0.89 0.10 116.57 119.49 3dye h LYS 261 Ca 0.03 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3dye h LYS 261 Cb 0.01 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3dye h LYS 261 CO -0.01 0.85 0.14 1.49 -0.57 0.00 0.00 179.45 181.35 3dye h GLU 262 N 1.32 0.51 -0.57 3.15 4.81 -0.94 -0.72 114.58 122.14 3dye h GLU 262 Ca 0.37 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 3dye h GLU 262 Cb -0.11 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3dye h GLU 262 CO -0.09 0.50 0.05 0.00 -0.73 0.00 0.00 179.01 178.73 3dye h ALA 263 N 0.98 0.76 -0.35 2.92 0.00 -0.57 -2.32 119.26 120.68 3dye h ALA 263 Ca 0.11 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3dye h ALA 263 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3dye h ALA 263 CO -0.01 0.55 -0.20 0.35 0.00 0.00 0.00 179.25 179.94 3dye h PHE 264 N 0.86 0.87 -0.54 0.00 3.57 -0.75 -0.74 116.94 120.21 3dye h PHE 264 Ca 0.17 -0.22 0.03 0.00 3.53 0.00 0.00 57.97 61.47 3dye h PHE 264 Cb 0.48 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 3dye h PHE 264 CO 0.04 0.96 0.32 -0.44 -2.23 0.00 0.00 178.31 176.96 3dye h ASP 265 N 0.53 0.52 -0.59 0.41 3.32 -1.07 -0.34 116.42 119.20 3dye h ASP 265 Ca 0.07 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 3dye h ASP 265 Cb 0.75 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3dye h ASP 265 CO 0.06 0.36 -0.00 0.22 -1.72 0.00 0.00 179.24 178.16 3dye h TYR 266 N 0.64 1.13 -0.64 4.55 3.20 -1.27 -2.63 116.97 121.95 3dye h TYR 266 Ca 0.22 -0.20 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3dye h TYR 266 Cb 0.03 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 37.97 3dye h TYR 266 CO -0.06 1.01 0.40 -0.09 -1.64 0.00 0.00 178.16 177.77 3dye h ARG 267 N 0.93 0.77 -0.44 1.82 9.65 -0.77 -1.23 114.38 125.12 3dye h ARG 267 Ca 0.17 -0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.08 3dye h ARG 267 Cb 0.56 -0.17 -0.07 0.00 -1.39 0.00 0.00 29.97 28.89 3dye h ARG 267 CO 0.03 0.51 -0.01 1.49 2.80 0.00 0.00 179.97 184.79 3dye h GLU 268 N 0.79 0.09 -0.43 0.20 4.81 -0.80 0.33 114.58 119.58 3dye h GLU 268 Ca 0.25 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3dye h GLU 268 Cb -0.00 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3dye h GLU 268 CO -0.09 0.06 0.23 0.28 -0.73 0.00 0.00 179.01 178.76 3dye h VAL 269 N 0.10 1.01 0.00 0.32 2.07 -1.07 -2.76 116.25 115.92 3dye h VAL 269 Ca 0.22 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 3dye h VAL 269 Cb 0.32 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3dye h VAL 269 CO -0.37 0.09 -0.35 0.03 0.02 0.00 0.00 177.57 176.98 3dye h ARG 270 N 0.47 0.00 0.00 1.57 3.08 -0.60 -2.70 114.38 116.20 3dye h ARG 270 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3dye h ARG 270 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3dye h ARG 270 CO -0.10 0.35 0.00 0.66 -1.07 0.00 0.00 179.97 179.81 3dye h SER 271 N 0.00 0.00 0.75 7.04 4.64 -0.07 -2.94 113.55 122.97 3dye h SER 271 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 3dye h SER 271 Cb 0.93 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 3dye h SER 271 CO 0.05 0.00 -0.58 -0.61 -0.87 0.00 0.00 176.83 174.81 3dye h GLN 272 N 0.00 0.00 -3.19 4.77 -0.00 -1.41 -3.34 115.11 111.94 3dye h GLN 272 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 58.14 3dye h GLN 272 Cb 0.36 0.00 -0.40 0.00 0.00 0.00 0.00 27.48 27.44 3dye h GLN 272 CO 0.00 0.58 -0.76 0.42 0.00 0.00 0.00 178.83 179.07 3dye s ILE 273 N -3.50 0.19 0.45 2.39 1.01 -1.11 -3.23 121.20 117.40 3dye s ILE 273 Ca -0.00 -0.54 0.11 0.00 0.00 0.00 0.00 60.65 60.21 3dye s ILE 273 Cb 0.12 -0.91 0.27 0.00 0.01 0.00 0.00 42.46 41.94 3dye s ILE 273 CO 0.75 -0.40 2.09 1.88 0.00 0.00 0.00 174.94 179.26 3dye h TYR 274 N 8.33 0.32 -0.17 3.97 -1.99 -1.79 -0.31 116.97 125.33 3dye h TYR 274 Ca -0.16 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.57 3dye h TYR 274 Cb 1.10 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 39.71 3dye h TYR 274 CO 0.24 0.20 0.01 0.00 -0.00 0.00 0.00 178.16 178.61 3dye n ALA 275 N -2.50 2.92 -0.33 3.88 0.00 -1.26 -4.58 120.51 118.63 3dye n ALA 275 Ca 0.01 -0.55 0.05 0.00 0.00 0.00 0.00 53.44 52.94 3dye n ALA 275 Cb 0.08 -1.04 0.12 0.00 0.00 0.00 0.00 19.45 18.60 3dye n ALA 275 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dye n PHE 276 N 0.17 0.30 -0.39 0.00 7.35 -0.13 -1.49 117.46 123.27 3dye n PHE 276 Ca 0.08 1.13 0.12 0.00 -0.76 0.00 0.00 57.45 58.02 3dye n PHE 276 Cb 0.54 -1.02 0.33 0.00 0.35 0.00 0.00 39.48 39.68 3dye n PHE 276 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3dye n ASN 277 N -5.49 4.03 -0.06 -2.13 3.02 -1.26 -4.73 115.26 108.64 3dye n ASN 277 Ca 0.14 -2.02 -0.09 0.00 -0.03 0.00 0.00 54.58 52.58 3dye n ASN 277 Cb 0.45 -0.50 -0.09 0.00 -0.61 0.00 0.00 39.78 39.03 3dye n ASN 277 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3dye h LEU 278 N 4.35 -0.01 -0.76 3.41 3.38 -1.61 -2.91 115.31 121.16 3dye h LEU 278 Ca 0.00 -0.64 0.05 0.00 0.09 0.00 0.00 57.88 57.37 3dye h LEU 278 Cb 1.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 3dye h LEU 278 CO 0.01 0.80 0.47 -0.65 0.09 0.00 0.00 178.44 179.16 3dye h PRO 279 N -0.99 0.86 -2.42 1.13 0.11 -1.85 -3.43 132.00 125.41 3dye h PRO 279 Ca -0.00 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 3dye h PRO 279 Cb 0.65 -0.19 -0.23 0.00 0.11 0.00 0.00 31.00 31.34 3dye h PRO 279 CO 0.00 0.57 -0.09 0.21 -0.21 0.00 0.00 178.00 178.48 3dye s LYS 280 N -6.09 0.62 -0.01 1.05 2.20 -1.25 -4.72 119.74 111.54 3dye s LYS 280 Ca -0.13 0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 55.96 3dye s LYS 280 Cb 0.17 0.28 -0.06 0.00 -1.51 0.00 0.00 37.83 36.70 3dye s LYS 280 CO 0.78 -0.08 1.59 1.21 -0.36 0.00 0.00 175.35 178.48 3dye s ASN 281 N 0.42 6.70 -0.03 1.43 3.84 -1.10 -4.56 114.94 121.64 3dye s ASN 281 Ca -0.01 2.26 -0.23 0.00 0.21 0.00 0.00 52.86 55.09 3dye s ASN 281 Cb -0.04 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.07 3dye s ASN 281 CO -0.01 -0.87 0.69 -1.10 -2.79 0.00 0.00 177.10 173.02 3dye s GLN 282 N 3.30 4.42 0.41 0.43 -0.21 -1.26 -5.04 119.66 121.71 3dye s GLN 282 Ca 0.71 0.88 -0.25 0.00 0.02 0.00 0.00 55.36 56.71 3dye s GLN 282 Cb -0.34 -3.41 -0.08 0.00 1.00 0.00 0.00 33.01 30.18 3dye s GLN 282 CO 0.29 0.18 1.24 0.00 -2.12 0.00 0.00 175.29 174.88 3dye s ALA 283 N 0.39 3.18 -0.02 6.09 0.00 -1.26 -5.01 121.76 125.13 3dye s ALA 283 Ca 0.36 1.10 -0.19 0.00 0.00 0.00 0.00 51.96 53.23 3dye s ALA 283 Cb -0.18 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 3dye s ALA 283 CO 0.19 -0.70 0.53 -0.47 0.00 0.00 0.00 175.76 175.30 3dye s TYR 284 N -1.34 3.67 -0.05 0.00 5.04 -1.26 -5.08 117.35 118.33 3dye s TYR 284 Ca 0.58 1.10 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 3dye s TYR 284 Cb -0.34 -2.52 0.02 0.00 0.35 0.00 0.00 41.96 39.47 3dye s TYR 284 CO 0.43 0.40 -0.03 -1.54 -1.34 0.00 0.00 175.55 173.48 3dye s SER 285 N -0.31 1.12 0.16 4.32 1.04 -1.26 -5.07 113.70 113.70 3dye s SER 285 Ca 0.28 -0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.45 3dye s SER 285 Cb -0.17 -0.43 0.10 0.00 0.10 0.00 0.00 66.02 65.62 3dye s SER 285 CO 0.15 -0.11 1.70 0.50 0.98 0.00 0.00 173.24 176.47 3dye h LYS 286 N 7.58 0.11 -0.10 4.02 3.64 -1.98 -2.98 116.57 126.86 3dye h LYS 286 Ca -0.32 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 3dye h LYS 286 Cb 1.14 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3dye h LYS 286 CO 0.40 0.08 -0.18 -1.00 -2.27 0.00 0.00 179.45 176.48 3dye h PRO 287 N 0.12 0.16 -0.42 1.90 0.13 -1.99 -1.34 132.00 130.56 3dye h PRO 287 Ca 0.19 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.16 3dye h PRO 287 Cb 0.26 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 3dye h PRO 287 CO -0.30 0.34 -0.21 0.00 -0.23 0.00 0.00 178.00 177.60 3dye h ALA 288 N 1.67 0.85 -0.03 -0.56 0.00 -1.97 -2.13 119.26 117.09 3dye h ALA 288 Ca 0.03 -0.37 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 3dye h ALA 288 Cb 0.41 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.06 3dye h ALA 288 CO 0.03 0.64 -0.98 0.28 0.00 0.00 0.00 179.25 179.22 3dye h VAL 289 N 0.72 1.30 -0.70 0.00 2.07 -1.51 -2.91 116.25 115.21 3dye h VAL 289 Ca 0.10 -2.22 0.14 0.00 0.82 0.00 0.00 66.70 65.54 3dye h VAL 289 Cb 0.73 2.31 -0.13 0.00 -1.52 0.00 0.00 31.29 32.68 3dye h VAL 289 CO 0.06 0.69 -0.19 -0.61 0.02 0.00 0.00 177.57 177.53 3dye h GLN 290 N 0.40 -0.01 -0.01 1.57 4.15 -1.14 -0.55 115.11 119.52 3dye h GLN 290 Ca -0.11 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 3dye h GLN 290 Cb 1.62 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.31 3dye h GLN 290 CO 0.19 -0.01 0.00 1.03 -1.93 0.00 0.00 178.83 178.11 3dye h SER 291 N -0.01 0.01 -0.32 -0.69 0.87 -1.34 -2.35 113.55 109.71 3dye h SER 291 Ca 0.33 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3dye h SER 291 Cb 0.52 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3dye h SER 291 CO -0.73 0.10 0.17 1.56 -0.53 0.00 0.00 176.83 177.40 3dye h GLN 292 N -0.09 0.44 -0.40 2.24 4.20 -1.26 -2.09 115.11 118.16 3dye h GLN 292 Ca 0.00 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 3dye h GLN 292 Cb 0.10 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3dye h GLN 292 CO -0.00 0.38 -0.19 0.28 -0.67 0.00 0.00 178.83 178.63 3dye h VAL 293 N 0.39 1.27 -0.40 -0.54 2.07 -1.12 -1.69 116.25 116.22 3dye h VAL 293 Ca 0.11 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 3dye h VAL 293 Cb 0.07 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3dye h VAL 293 CO -0.02 0.43 0.02 0.24 0.02 0.00 0.00 177.57 178.27 3dye h MET 294 N 0.68 0.63 -0.61 1.57 2.86 -1.30 -0.07 114.93 118.69 3dye h MET 294 Ca 0.10 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 3dye h MET 294 Cb 0.69 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 3dye h MET 294 CO 0.05 0.64 -0.01 1.49 1.06 0.00 0.00 176.91 180.14 3dye h GLU 295 N 0.60 1.08 -0.55 1.72 4.81 -0.87 -1.94 114.58 119.44 3dye h GLU 295 Ca 0.13 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 58.90 3dye h GLU 295 Cb 0.35 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3dye h GLU 295 CO 0.01 1.06 -0.07 0.82 -0.73 0.00 0.00 179.01 180.10 3dye h ILE 296 N 0.99 1.26 -0.45 2.32 2.04 -0.96 -2.32 117.51 120.39 3dye h ILE 296 Ca 0.17 -1.21 0.07 0.00 1.00 0.00 0.00 64.86 64.90 3dye h ILE 296 Cb 0.57 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 3dye h ILE 296 CO 0.03 0.43 0.08 0.44 0.00 0.00 0.00 178.15 179.13 3dye h ASP 297 N 0.90 -0.02 0.82 1.72 3.32 -0.79 0.15 116.42 122.52 3dye h ASP 297 Ca 0.15 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3dye h ASP 297 Cb 0.62 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3dye h ASP 297 CO 0.04 0.03 0.00 1.23 -1.72 0.00 0.00 179.24 178.82 3dye h GLY 298 N 0.21 0.00 0.20 2.75 0.00 -1.19 0.20 103.07 105.23 3dye h GLY 298 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.35 3dye h GLY 298 CO -0.30 0.00 -1.09 1.70 0.00 0.00 0.00 176.54 176.86 3dye h LYS 299 N 0.00 0.09 -0.02 4.80 1.63 -0.70 -3.20 116.57 119.16 3dye h LYS 299 Ca 0.00 -0.15 -0.19 0.00 -0.85 0.00 0.00 60.65 59.46 3dye h LYS 299 Cb 0.41 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 3dye h LYS 299 CO 0.00 1.07 -0.83 1.96 -3.45 0.00 0.00 179.45 178.20 3dye h GLN 300 N -0.74 0.27 -3.09 1.90 1.08 -0.98 -3.36 115.11 110.18 3dye h GLN 300 Ca -0.27 -0.26 -0.62 0.00 -1.45 0.00 0.00 58.65 56.05 3dye h GLN 300 Cb 1.41 0.07 -0.42 0.00 -0.05 0.00 0.00 27.48 28.50 3dye h GLN 300 CO -0.07 0.96 -0.59 0.00 -0.95 0.00 0.00 178.83 178.18