============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 11 1.000 10.949 -21.430 10.984 -99.200 -91.000 TYR 14 0.840 7.296 -21.426 6.284 -99.200 -91.000 TYR 24 0.840 7.690 -16.369 -6.696 -99.200 -91.000 PHE 26 1.000 11.817 -16.320 3.646 -99.200 -91.000 PHE 30 1.000 8.647 -6.966 3.904 -99.200 -91.000 HIS 42 0.900 -1.929 8.561 8.682 -99.200 -91.000 PHE 43 1.000 -8.743 10.869 10.449 -99.200 -91.000 TYR 56 0.840 13.023 9.288 9.040 -99.200 -91.000 TYR 62 0.840 -1.597 2.260 11.805 -99.200 -91.000 PHE 64 1.000 -5.433 0.787 16.593 -99.200 -91.000 TYR 80 0.840 1.831 13.200 17.021 -99.200 -91.000 TYR 85 0.840 -0.196 2.665 24.712 -99.200 -91.000 TYR 89 0.840 4.609 -15.741 24.895 -99.200 -91.000 TYR 95 0.840 7.266 -5.755 23.169 -99.200 -91.000 PHE 109 1.000 12.117 8.462 24.875 -99.200 -91.000 TRP 110 1.040 14.145 12.213 28.736 -99.200 -91.000 TRP6 110 1.020 14.863 10.077 29.458 -99.200 -91.000 HIS 137 0.900 23.864 11.379 24.177 -99.200 -91.000 TYR 138 0.840 16.727 9.130 24.074 -99.200 -91.000 TRP 139 1.040 22.040 8.795 26.722 -99.200 -91.000 TRP6 139 1.020 21.597 8.141 24.496 -99.200 -91.000 PHE 141 1.000 25.935 14.429 25.275 -99.200 -91.000 TYR 148 0.840 16.997 15.480 29.328 -99.200 -91.000 TRP 164 1.040 25.011 -5.410 25.079 -99.200 -91.000 TRP6 164 1.020 25.038 -7.535 24.038 -99.200 -91.000 HIS 168 0.900 19.926 2.406 37.742 -99.200 -91.000 PHE 169 1.000 19.596 7.041 31.022 -99.200 -91.000 TYR 173 0.840 5.851 16.407 37.620 -99.200 -91.000 HIS 182 0.900 19.133 4.098 26.494 -99.200 -91.000 PHE 183 1.000 18.712 -3.402 29.150 -99.200 -91.000 TYR 185 0.840 22.723 -5.153 18.673 -99.200 -91.000 TRP 188 1.040 19.283 -4.184 13.264 -99.200 -91.000 TRP6 188 1.020 17.779 -5.418 14.612 -99.200 -91.000 HIS 191 0.900 16.848 2.745 6.299 -99.200 -91.000 PHE 202 1.000 20.025 -5.190 22.951 -99.200 -91.000 HIS 204 0.900 18.864 -14.858 28.122 -99.200 -91.000 HIS 220 0.900 14.911 5.148 20.625 -99.200 -91.000 PHE 231 1.000 14.278 -5.905 21.321 -99.200 -91.000 HIS 240 0.900 4.458 -18.912 19.789 -99.200 -91.000 HIS 244 0.900 2.696 -21.740 22.974 -99.200 -91.000 PHE 246 1.000 1.829 -22.220 17.279 -99.200 -91.000 TYR 259 0.840 -2.574 -3.430 17.815 -99.200 -91.000 TYR 270 0.840 8.375 -11.810 6.586 -99.200 -91.000 PHE 272 1.000 18.682 -11.056 11.911 -99.200 -91.000 HIS 274 0.900 10.392 -16.079 8.156 -99.200 -91.000 TRP 281 1.040 13.612 -26.446 15.707 -99.200 -91.000 TRP6 281 1.020 12.259 -27.417 17.386 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g59A1 SER 2 HA 0.00 -0.04 0.16 -0.75 4.49 3.87 2g59A1 SER 2 HB2 0.00 -0.08 0.07 -0.04 3.95 3.90 2g59A1 SER 2 HB3 -0.00 -0.00 -0.05 -0.04 3.93 3.84 2g59A1 LEU 3 H 0.02 0.16 0.02 -0.55 8.37 8.03 2g59A1 LEU 3 HA 0.03 0.12 0.76 -0.75 4.35 4.50 2g59A1 LEU 3 HB2 0.03 0.01 0.11 -0.04 1.64 1.75 2g59A1 LEU 3 HB3 0.05 -0.06 -0.08 -0.04 1.64 1.51 2g59A1 LEU 3 HG 0.01 -0.01 -0.08 -0.04 1.64 1.51 2g59A1 LEU 3 HD13 -0.01 0.03 -0.19 -0.04 0.93 0.72 2g59A1 LEU 3 HD23 0.01 0.02 -0.09 -0.04 0.89 0.79 2g59A1 THR 4 H 0.04 0.37 0.07 -0.55 8.28 8.21 2g59A1 THR 4 HA 0.06 -0.16 0.42 -0.75 4.39 3.97 2g59A1 THR 4 HB 0.03 0.17 -0.13 -0.04 4.32 4.35 2g59A1 THR 4 HG23 0.02 0.03 -0.25 -0.04 1.22 0.97 2g59A1 ASN 5 H 0.06 -0.06 -0.03 -0.55 8.53 7.95 2g59A1 ASN 5 HA 0.02 0.23 0.60 -0.75 4.76 4.86 2g59A1 ASN 5 HB2 0.09 0.10 -0.27 -0.04 2.88 2.76 2g59A1 ASN 5 HB3 0.12 -0.16 0.09 -0.04 2.79 2.80 2g59A1 ASN 5 HD21 0.05 -0.03 0.00 -0.04 7.03 7.01 2g59A1 ASN 5 HD22 0.03 0.09 0.13 -0.04 7.74 7.95 2g59A1 PRO 6 HA 0.09 0.14 0.49 -0.51 4.44 4.65 2g59A1 PRO 6 HB2 -0.17 0.02 -0.12 -0.04 2.28 1.98 2g59A1 PRO 6 HB3 0.01 0.01 -0.03 -0.04 2.02 1.96 2g59A1 PRO 6 HG2 -0.10 0.04 0.04 -0.04 2.03 1.97 2g59A1 PRO 6 HG3 -0.14 0.08 -0.01 -0.04 2.03 1.93 2g59A1 PRO 6 HD2 -0.02 0.19 0.06 -0.04 3.68 3.86 2g59A1 PRO 6 HD3 -0.01 0.08 0.00 -0.04 3.65 3.68 2g59A1 VAL 7 H 0.05 0.54 0.36 -0.55 8.24 8.64 2g59A1 VAL 7 HA -0.10 0.14 0.88 -0.75 4.13 4.30 2g59A1 VAL 7 HB -0.07 -0.05 0.15 -0.04 2.12 2.12 2g59A1 VAL 7 HG13 -0.11 0.04 -0.14 -0.04 0.97 0.72 2g59A1 VAL 7 HG23 -0.88 0.06 -0.13 -0.04 0.95 -0.04 2g59A1 GLN 8 H -0.03 0.16 0.11 -0.55 8.47 8.15 2g59A1 GLN 8 HA 0.02 0.21 0.63 -0.75 4.36 4.46 2g59A1 GLN 8 HB2 -0.02 0.02 0.16 -0.04 2.15 2.27 2g59A1 GLN 8 HB3 -0.04 -0.17 0.03 -0.04 2.02 1.80 2g59A1 GLN 8 HG2 -0.01 0.02 0.05 -0.04 2.40 2.42 2g59A1 GLN 8 HG3 -0.00 0.10 0.13 -0.04 2.39 2.57 2g59A1 GLN 8 HE21 -0.10 0.03 -0.10 -0.04 6.97 6.77 2g59A1 GLN 8 HE22 -0.04 -0.01 0.01 -0.04 7.69 7.60 2g59A1 LEU 9 H -0.28 0.84 0.35 -0.55 8.37 8.73 2g59A1 LEU 9 HA -0.60 0.03 0.40 -0.75 4.35 3.42 2g59A1 LEU 9 HB2 -1.17 0.07 0.10 -0.04 1.64 0.60 2g59A1 LEU 9 HB3 -3.05 0.01 0.03 -0.04 1.64 -1.41 2g59A1 LEU 9 HG -0.44 -0.07 -0.37 -0.04 1.64 0.73 2g59A1 LEU 9 HD13 -0.23 0.03 -0.01 -0.04 0.93 0.68 2g59A1 LEU 9 HD23 -0.67 -0.01 -0.09 -0.04 0.89 0.08 2g59A1 ASP 10 H -0.20 0.14 -0.20 -0.55 8.40 7.60 2g59A1 ASP 10 HA 0.20 0.11 0.34 -0.75 4.63 4.53 2g59A1 ASP 10 HB2 0.01 -0.04 0.05 -0.04 2.71 2.68 2g59A1 ASP 10 HB3 0.08 0.03 0.02 -0.04 2.70 2.79 2g59A1 ASP 11 H -0.03 0.36 -0.51 -0.55 8.40 7.67 2g59A1 ASP 11 HA 0.08 0.18 0.92 -0.75 4.63 5.06 2g59A1 ASP 11 HB2 0.05 -0.06 0.20 -0.04 2.71 2.85 2g59A1 ASP 11 HB3 0.04 0.08 0.02 -0.04 2.70 2.81 2g59A1 PHE 12 H 0.06 0.58 -0.13 -0.55 8.34 8.30 2g59A1 PHE 12 HA 0.00 0.07 0.49 -0.75 4.62 4.43 2g59A1 PHE 12 HB2 -0.28 0.09 0.11 -0.04 3.15 3.03 2g59A1 PHE 12 HB3 -0.13 0.06 0.06 -0.04 3.06 3.01 2g59A1 PHE 12 HD2 -0.06 0.03 -0.08 -0.04 7.28 7.13 2g59A1 PHE 12 HE2 0.02 0.11 0.02 -0.04 7.38 7.49 2g59A1 PHE 12 HZ 0.03 -0.05 0.04 -0.04 7.32 7.30 2g59A1 ASP 13 H 0.17 0.21 -0.14 -0.55 8.40 8.09 2g59A1 ASP 13 HA 0.08 0.09 0.40 -0.75 4.63 4.44 2g59A1 ASP 13 HB2 0.11 -0.00 0.05 -0.04 2.71 2.83 2g59A1 ASP 13 HB3 0.10 0.03 -0.00 -0.04 2.70 2.79 2g59A1 ALA 14 H 0.06 0.11 -0.24 -0.55 8.40 7.80 2g59A1 ALA 14 HA 0.01 0.06 0.36 -0.75 4.34 4.01 2g59A1 ALA 14 HB3 0.04 0.05 0.07 -0.04 1.41 1.52 2g59A1 TYR 15 H 0.07 0.39 -0.36 -0.55 8.29 7.84 2g59A1 TYR 15 HA -0.12 0.02 0.40 -0.75 4.56 4.11 2g59A1 TYR 15 HB2 -0.09 0.09 0.15 -0.04 3.06 3.17 2g59A1 TYR 15 HB3 -0.34 0.09 0.24 -0.04 2.98 2.93 2g59A1 TYR 15 HD2 -0.31 0.02 -0.03 -0.04 7.15 6.79 2g59A1 TYR 15 HE2 0.06 -0.01 -0.04 -0.04 6.85 6.82 2g59A1 ILE 16 H -0.24 0.83 0.02 -0.55 8.25 8.31 2g59A1 ILE 16 HA -0.37 -0.04 0.34 -0.75 4.18 3.36 2g59A1 ILE 16 HB -0.11 0.12 0.17 -0.04 1.89 2.02 2g59A1 ILE 16 HG12 -0.17 -0.09 0.01 -0.04 1.49 1.20 2g59A1 ILE 16 HG13 -0.96 0.17 0.09 -0.04 1.21 0.46 2g59A1 ILE 16 HG23 0.05 -0.02 -0.19 -0.04 0.93 0.73 2g59A1 ILE 16 HD13 0.18 0.01 -0.10 -0.04 0.88 0.93 2g59A1 LYS 17 H -0.09 0.58 -0.27 -0.55 8.42 8.08 2g59A1 LYS 17 HA -0.04 -0.01 0.43 -0.75 4.32 3.94 2g59A1 LYS 17 HB2 -0.04 0.11 0.11 -0.04 1.87 2.02 2g59A1 LYS 17 HB3 -0.03 -0.05 0.03 -0.04 1.79 1.69 2g59A1 LYS 17 HG2 0.00 -0.05 0.01 -0.04 1.46 1.38 2g59A1 LYS 17 HG3 -0.01 0.08 0.04 -0.04 1.46 1.53 2g59A1 LYS 17 HD2 0.01 -0.01 -0.12 -0.04 1.69 1.53 2g59A1 LYS 17 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.59 2g59A1 LYS 17 HE2 0.03 -0.01 -0.03 -0.04 2.99 2.93 2g59A1 LYS 17 HE3 0.04 -0.00 -0.05 -0.04 2.99 2.93 2g59A1 ASP 18 H -0.18 0.54 -0.17 -0.55 8.40 8.04 2g59A1 ASP 18 HA -0.11 0.01 0.52 -0.75 4.63 4.30 2g59A1 ASP 18 HB2 -0.10 0.04 0.14 -0.04 2.71 2.75 2g59A1 ASP 18 HB3 -0.26 0.11 0.18 -0.04 2.70 2.69 2g59A1 MET 19 H -0.53 0.58 -0.06 -0.55 8.47 7.92 2g59A1 MET 19 HA -0.52 -0.02 0.39 -0.75 4.52 3.61 2g59A1 MET 19 HB2 -1.40 0.13 0.08 -0.04 2.15 0.92 2g59A1 MET 19 HB3 -2.32 -0.11 -0.04 -0.04 2.03 -0.47 2g59A1 MET 19 HG2 -1.33 0.26 -0.05 -0.04 2.63 1.47 2g59A1 MET 19 HG3 -1.40 -0.05 -0.10 -0.04 2.56 0.97 2g59A1 MET 19 HE3 -0.43 -0.00 -0.22 -0.04 2.10 1.40 2g59A1 ALA 20 H -0.19 0.48 -0.27 -0.55 8.40 7.87 2g59A1 ALA 20 HA 0.23 -0.01 0.58 -0.75 4.34 4.39 2g59A1 ALA 20 HB3 0.10 0.01 0.08 -0.04 1.41 1.56 2g59A1 LYS 21 H -0.07 0.29 -0.48 -0.55 8.42 7.61 2g59A1 LYS 21 HA -0.00 -0.03 0.37 -0.75 4.32 3.90 2g59A1 LYS 21 HB2 -0.05 0.31 0.22 -0.04 1.87 2.31 2g59A1 LYS 21 HB3 -0.01 -0.04 -0.05 -0.04 1.79 1.65 2g59A1 LYS 21 HG2 -0.03 -0.00 0.06 -0.04 1.46 1.45 2g59A1 LYS 21 HG3 -0.02 -0.12 0.11 -0.04 1.46 1.39 2g59A1 LYS 21 HD2 -0.02 -0.03 0.07 -0.04 1.69 1.67 2g59A1 LYS 21 HD3 -0.04 0.11 0.06 -0.04 1.68 1.76 2g59A1 LYS 21 HE2 -0.02 -0.00 0.01 -0.04 2.99 2.93 2g59A1 LYS 21 HE3 -0.02 -0.04 0.03 -0.04 2.99 2.92 2g59A1 ASP 22 H 0.00 0.12 0.18 -0.55 8.40 8.16 2g59A1 ASP 22 HA 0.00 0.02 0.38 -0.75 4.63 4.28 2g59A1 ASP 22 HB2 0.02 0.06 -0.04 -0.04 2.71 2.71 2g59A1 ASP 22 HB3 -0.06 0.04 0.16 -0.04 2.70 2.80 2g59A1 SER 23 H 0.03 0.06 -0.02 -0.55 8.46 7.99 2g59A1 SER 23 HA 0.05 0.00 0.33 -0.75 4.49 4.11 2g59A1 SER 23 HB2 0.03 -0.06 -0.07 -0.04 3.95 3.81 2g59A1 SER 23 HB3 0.06 0.18 0.00 -0.04 3.93 4.13 2g59A1 ASP 24 H 0.09 0.56 -0.11 -0.55 8.40 8.39 2g59A1 ASP 24 HA 0.19 0.13 0.37 -0.75 4.63 4.57 2g59A1 ASP 24 HB2 0.09 0.14 -0.09 -0.04 2.71 2.80 2g59A1 ASP 24 HB3 0.20 -0.13 0.17 -0.04 2.70 2.90 2g59A1 TYR 25 H 0.18 0.56 -0.38 -0.55 8.29 8.10 2g59A1 TYR 25 HA 0.03 0.05 0.36 -0.75 4.56 4.25 2g59A1 TYR 25 HB2 0.00 0.23 0.14 -0.04 3.06 3.39 2g59A1 TYR 25 HB3 -0.02 -0.05 0.07 -0.04 2.98 2.94 2g59A1 TYR 25 HD2 -0.01 0.02 -0.04 -0.04 7.15 7.09 2g59A1 TYR 25 HE2 0.00 -0.00 -0.03 -0.04 6.85 6.78 2g59A1 LYS 26 H 0.03 0.29 -0.03 -0.55 8.42 8.16 2g59A1 LYS 26 HA -0.20 0.04 0.47 -0.75 4.32 3.88 2g59A1 LYS 26 HB2 -0.26 0.04 0.14 -0.04 1.87 1.75 2g59A1 LYS 26 HB3 -0.19 -0.03 0.02 -0.04 1.79 1.55 2g59A1 LYS 26 HG2 0.04 -0.02 -0.00 -0.04 1.46 1.43 2g59A1 LYS 26 HG3 0.05 0.05 0.04 -0.04 1.46 1.57 2g59A1 LYS 26 HD2 -0.14 0.06 -0.18 -0.04 1.69 1.40 2g59A1 LYS 26 HD3 -0.09 -0.03 -0.05 -0.04 1.68 1.47 2g59A1 LYS 26 HE2 0.05 -0.02 -0.03 -0.04 2.99 2.96 2g59A1 LYS 26 HE3 0.01 0.02 -0.02 -0.04 2.99 2.97 2g59A1 PHE 27 H -0.00 0.36 -0.28 -0.55 8.34 7.86 2g59A1 PHE 27 HA 0.03 -0.00 0.39 -0.75 4.62 4.28 2g59A1 PHE 27 HB2 -0.04 0.16 0.11 -0.04 3.15 3.34 2g59A1 PHE 27 HB3 0.02 -0.04 -0.07 -0.04 3.06 2.93 2g59A1 PHE 27 HD2 -0.10 0.02 -0.11 -0.04 7.28 7.05 2g59A1 PHE 27 HE2 -1.04 0.01 -0.07 -0.04 7.38 6.24 2g59A1 PHE 27 HZ -0.40 -0.02 -0.01 -0.04 7.32 6.85 2g59A1 SER 28 H 0.10 0.71 -0.06 -0.55 8.46 8.66 2g59A1 SER 28 HA 0.12 -0.06 0.41 -0.75 4.49 4.21 2g59A1 SER 28 HB2 0.03 -0.07 0.06 -0.04 3.95 3.93 2g59A1 SER 28 HB3 0.05 0.04 0.14 -0.04 3.93 4.12 2g59A1 LEU 29 H -0.16 0.55 -0.12 -0.55 8.37 8.08 2g59A1 LEU 29 HA -0.11 0.00 0.39 -0.75 4.35 3.87 2g59A1 LEU 29 HB2 -0.25 0.07 0.23 -0.04 1.64 1.65 2g59A1 LEU 29 HB3 -0.10 -0.01 -0.01 -0.04 1.64 1.47 2g59A1 LEU 29 HG -0.15 -0.03 0.04 -0.04 1.64 1.46 2g59A1 LEU 29 HD13 -0.71 0.02 -0.00 -0.04 0.93 0.20 2g59A1 LEU 29 HD23 -0.17 -0.02 -0.03 -0.04 0.89 0.64 2g59A1 GLN 30 H 0.05 0.54 -0.19 -0.55 8.47 8.32 2g59A1 GLN 30 HA 0.04 0.02 0.45 -0.75 4.36 4.12 2g59A1 GLN 30 HB2 0.26 0.15 0.17 -0.04 2.15 2.69 2g59A1 GLN 30 HB3 0.23 -0.06 -0.05 -0.04 2.02 2.09 2g59A1 GLN 30 HG2 0.12 -0.03 0.01 -0.04 2.40 2.46 2g59A1 GLN 30 HG3 0.07 0.06 0.02 -0.04 2.39 2.50 2g59A1 GLN 30 HE21 0.29 -0.04 -0.05 -0.04 6.97 7.12 2g59A1 GLN 30 HE22 0.09 0.03 -0.04 -0.04 7.69 7.73 2g59A1 PHE 31 H 0.17 0.55 -0.07 -0.55 8.34 8.45 2g59A1 PHE 31 HA -0.32 0.02 0.38 -0.75 4.62 3.95 2g59A1 PHE 31 HB2 -0.09 0.04 0.10 -0.04 3.15 3.16 2g59A1 PHE 31 HB3 -0.06 0.05 0.05 -0.04 3.06 3.06 2g59A1 PHE 31 HD2 -0.43 -0.01 -0.08 -0.04 7.28 6.72 2g59A1 PHE 31 HE2 -0.04 0.07 -0.11 -0.04 7.38 7.27 2g59A1 PHE 31 HZ 0.01 0.18 -0.66 -0.04 7.32 6.80 2g59A1 GLU 32 H 0.03 0.62 -0.19 -0.55 8.60 8.52 2g59A1 GLU 32 HA -0.07 0.02 0.48 -0.75 4.29 3.97 2g59A1 GLU 32 HB2 -0.02 0.15 0.13 -0.04 2.09 2.31 2g59A1 GLU 32 HB3 -0.02 -0.04 0.00 -0.04 1.99 1.89 2g59A1 GLU 32 HG2 0.04 0.15 0.03 -0.04 2.34 2.51 2g59A1 GLU 32 HG3 0.00 -0.05 -0.01 -0.04 2.34 2.24 2g59A1 GLU 33 H -0.05 0.37 -0.20 -0.55 8.60 8.18 2g59A1 GLU 33 HA -0.05 0.02 0.41 -0.75 4.29 3.92 2g59A1 GLU 33 HB2 -0.02 0.12 0.15 -0.04 2.09 2.29 2g59A1 GLU 33 HB3 -0.02 -0.06 0.04 -0.04 1.99 1.90 2g59A1 GLU 33 HG2 -0.02 -0.06 0.04 -0.04 2.34 2.26 2g59A1 GLU 33 HG3 -0.02 0.40 0.18 -0.04 2.34 2.86 2g59A1 LEU 34 H -0.16 0.45 -0.17 -0.55 8.37 7.94 2g59A1 LEU 34 HA -0.10 -0.02 0.39 -0.75 4.35 3.87 2g59A1 LEU 34 HB2 -0.47 0.10 0.13 -0.04 1.64 1.36 2g59A1 LEU 34 HB3 -0.27 0.04 -0.03 -0.04 1.64 1.35 2g59A1 LEU 34 HG -0.08 0.04 0.01 -0.04 1.64 1.56 2g59A1 LEU 34 HD13 -0.25 -0.04 -0.10 -0.04 0.93 0.50 2g59A1 LEU 34 HD23 0.01 0.02 -0.08 -0.04 0.89 0.80 2g59A1 LYS 35 H -0.28 0.35 -0.38 -0.55 8.42 7.55 2g59A1 LYS 35 HA -0.21 0.05 0.41 -0.75 4.32 3.82 2g59A1 LYS 35 HB2 -0.14 0.14 0.11 -0.04 1.87 1.93 2g59A1 LYS 35 HB3 -0.12 -0.07 0.11 -0.04 1.79 1.67 2g59A1 LYS 35 HG2 -0.39 -0.03 0.03 -0.04 1.46 1.04 2g59A1 LYS 35 HG3 -0.58 0.36 0.11 -0.04 1.46 1.31 2g59A1 LYS 35 HD2 -0.07 -0.03 0.02 -0.04 1.69 1.56 2g59A1 LYS 35 HD3 -0.06 -0.04 0.03 -0.04 1.68 1.57 2g59A1 LYS 35 HE2 0.09 0.04 0.01 -0.04 2.99 3.09 2g59A1 LYS 35 HE3 0.13 -0.02 -0.10 -0.04 2.99 2.96 2g59A1 LEU 36 H -0.09 0.39 -0.52 -0.55 8.37 7.61 2g59A1 LEU 36 HA -0.03 0.09 0.68 -0.75 4.35 4.33 2g59A1 LEU 36 HB2 -0.04 0.24 0.13 -0.04 1.64 1.92 2g59A1 LEU 36 HB3 -0.03 -0.12 0.04 -0.04 1.64 1.50 2g59A1 LEU 36 HG -0.02 -0.06 0.02 -0.04 1.64 1.53 2g59A1 LEU 36 HD13 -0.05 0.07 -0.11 -0.04 0.93 0.80 2g59A1 LEU 36 HD23 -0.02 -0.02 0.01 -0.04 0.89 0.82 2g59A1 ILE 37 H -0.05 0.35 -0.14 -0.55 8.25 7.86 2g59A1 ILE 37 HA -0.02 -0.09 0.41 -0.75 4.18 3.73 2g59A1 ILE 37 HB -0.00 0.14 0.15 -0.04 1.89 2.14 2g59A1 ILE 37 HG12 -0.04 0.07 0.17 -0.04 1.49 1.65 2g59A1 ILE 37 HG13 -0.00 -0.06 0.10 -0.04 1.21 1.21 2g59A1 ILE 37 HG23 0.03 0.05 -0.17 -0.04 0.93 0.79 2g59A1 ILE 37 HD13 -0.01 -0.03 -0.02 -0.04 0.88 0.78 2g59A1 GLY 38 H -0.04 0.05 0.19 -0.55 8.43 8.09 2g59A1 GLY 38 HA2 -0.13 -0.05 0.37 -0.51 4.01 3.69 2g59A1 GLY 38 HA3 0.07 0.31 0.45 -0.51 4.01 4.34 2g59A1 LEU 39 H 0.00 0.40 -0.22 -0.55 8.37 8.01 2g59A1 LEU 39 HA 0.08 0.11 0.38 -0.75 4.35 4.16 2g59A1 LEU 39 HB2 -0.00 -0.04 0.10 -0.04 1.64 1.66 2g59A1 LEU 39 HB3 0.02 -0.05 0.04 -0.04 1.64 1.61 2g59A1 LEU 39 HG 0.01 0.23 -0.07 -0.04 1.64 1.76 2g59A1 LEU 39 HD13 -0.00 -0.02 0.07 -0.04 0.93 0.94 2g59A1 LEU 39 HD23 0.03 0.01 0.01 -0.04 0.89 0.90 2g59A1 ASP 40 H -0.05 0.02 -0.23 -0.55 8.40 7.59 2g59A1 ASP 40 HA -0.04 0.16 0.61 -0.75 4.63 4.61 2g59A1 ASP 40 HB2 -0.08 -0.01 0.00 -0.04 2.71 2.58 2g59A1 ASP 40 HB3 -0.06 -0.01 0.12 -0.04 2.70 2.71 2g59A1 ILE 41 H -0.13 0.42 -0.41 -0.55 8.25 7.58 2g59A1 ILE 41 HA -0.21 0.08 0.66 -0.75 4.18 3.95 2g59A1 ILE 41 HB -0.83 0.16 0.15 -0.04 1.89 1.32 2g59A1 ILE 41 HG12 -0.36 -0.02 0.02 -0.04 1.49 1.09 2g59A1 ILE 41 HG13 -0.29 -0.20 -0.01 -0.04 1.21 0.67 2g59A1 ILE 41 HG23 -0.34 0.01 -0.02 -0.04 0.93 0.54 2g59A1 ILE 41 HD13 -0.51 0.04 0.09 -0.04 0.88 0.45 2g59A1 PRO 42 HA -0.51 0.11 0.49 -0.51 4.44 4.02 2g59A1 PRO 42 HB2 -1.46 -0.14 0.07 -0.04 2.28 0.71 2g59A1 PRO 42 HB3 -0.70 0.09 0.13 -0.04 2.02 1.50 2g59A1 PRO 42 HG2 -0.23 -0.08 0.17 -0.04 2.03 1.84 2g59A1 PRO 42 HG3 -0.22 0.06 0.13 -0.04 2.03 1.96 2g59A1 PRO 42 HD2 -0.18 0.05 0.31 -0.04 3.68 3.82 2g59A1 PRO 42 HD3 -0.18 0.32 0.32 -0.04 3.65 4.07 2g59A1 HIS 43 H -0.73 0.19 0.04 -0.55 8.41 7.38 2g59A1 HIS 43 HA -0.01 0.03 0.74 -0.75 4.63 4.64 2g59A1 HIS 43 HB2 0.05 0.01 0.05 -0.04 3.26 3.33 2g59A1 HIS 43 HB3 0.10 0.11 -0.26 -0.04 3.20 3.11 2g59A1 HIS 43 HD2 0.16 0.17 -0.11 -0.04 6.97 7.14 2g59A1 HIS 43 HE1 0.05 -0.01 -0.06 -0.04 7.75 7.69 2g59A1 PHE 44 H -0.36 0.15 -0.00 -0.55 8.34 7.57 2g59A1 PHE 44 HA 0.03 0.12 0.39 -0.75 4.62 4.41 2g59A1 PHE 44 HB2 0.03 -0.01 0.09 -0.04 3.15 3.22 2g59A1 PHE 44 HB3 0.01 0.04 0.01 -0.04 3.06 3.09 2g59A1 PHE 44 HD2 -0.01 0.02 0.01 -0.04 7.28 7.27 2g59A1 PHE 44 HE2 -0.03 0.05 0.02 -0.04 7.38 7.37 2g59A1 PHE 44 HZ -0.03 0.05 0.03 -0.04 7.32 7.33 2g59A1 ALA 45 H 0.18 0.12 -0.09 -0.55 8.40 8.06 2g59A1 ALA 45 HA 0.04 0.03 0.42 -0.75 4.34 4.08 2g59A1 ALA 45 HB3 0.13 0.03 0.02 -0.04 1.41 1.56 2g59A1 ALA 46 H 0.12 0.13 -0.36 -0.55 8.40 7.75 2g59A1 ALA 46 HA -0.41 0.07 0.37 -0.75 4.34 3.62 2g59A1 ALA 46 HB3 0.12 0.06 0.04 -0.04 1.41 1.59 2g59A1 ASP 47 H 0.10 0.20 -0.52 -0.55 8.40 7.63 2g59A1 ASP 47 HA 0.05 0.14 0.56 -0.75 4.63 4.62 2g59A1 ASP 47 HB2 0.15 0.08 0.10 -0.04 2.71 3.01 2g59A1 ASP 47 HB3 0.10 -0.08 0.03 -0.04 2.70 2.71 2g59A1 LEU 48 H -0.04 0.27 -0.23 -0.55 8.37 7.82 2g59A1 LEU 48 HA -0.02 0.05 0.40 -0.75 4.35 4.03 2g59A1 LEU 48 HB2 -0.11 0.11 0.10 -0.04 1.64 1.70 2g59A1 LEU 48 HB3 -0.05 -0.14 0.03 -0.04 1.64 1.44 2g59A1 LEU 48 HG -0.00 0.18 0.13 -0.04 1.64 1.91 2g59A1 LEU 48 HD13 -0.02 -0.01 0.03 -0.04 0.93 0.89 2g59A1 LEU 48 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.83 2g59A1 PRO 49 HA -0.02 0.13 0.46 -0.51 4.44 4.50 2g59A1 PRO 49 HB2 -0.01 -0.04 0.11 -0.04 2.28 2.29 2g59A1 PRO 49 HB3 -0.01 0.04 0.11 -0.04 2.02 2.11 2g59A1 PRO 49 HG2 -0.01 0.01 0.11 -0.04 2.03 2.10 2g59A1 PRO 49 HG3 -0.01 0.11 0.13 -0.04 2.03 2.22 2g59A1 PRO 49 HD2 -0.02 0.02 0.22 -0.04 3.68 3.87 2g59A1 PRO 49 HD3 -0.01 0.21 0.24 -0.04 3.65 4.05 2g59A1 LEU 50 H -0.03 0.10 -0.19 -0.55 8.37 7.70 2g59A1 LEU 50 HA -0.02 0.07 0.38 -0.75 4.35 4.03 2g59A1 LEU 50 HB2 -0.01 0.07 0.04 -0.04 1.64 1.70 2g59A1 LEU 50 HB3 -0.01 -0.02 0.06 -0.04 1.64 1.62 2g59A1 LEU 50 HG -0.03 -0.07 -0.03 -0.04 1.64 1.47 2g59A1 LEU 50 HD13 -0.05 0.03 -0.22 -0.04 0.93 0.65 2g59A1 LEU 50 HD23 -0.01 0.02 -0.11 -0.04 0.89 0.75 2g59A1 ASN 51 H -0.09 0.51 -0.59 -0.55 8.53 7.81 2g59A1 ASN 51 HA -0.07 0.16 0.84 -0.75 4.76 4.94 2g59A1 ASN 51 HB2 -0.35 0.19 -0.00 -0.04 2.88 2.68 2g59A1 ASN 51 HB3 -0.70 -0.03 0.03 -0.04 2.79 2.05 2g59A1 ASN 51 HD21 -0.17 -0.15 0.00 -0.04 7.03 6.67 2g59A1 ASN 51 HD22 -0.42 0.51 0.09 -0.04 7.74 7.88 2g59A1 ARG 52 H -0.05 0.45 -0.14 -0.55 8.46 8.17 2g59A1 ARG 52 HA -0.03 0.13 0.36 -0.75 4.34 4.05 2g59A1 ARG 52 HB2 -0.02 0.03 0.14 -0.04 1.90 2.01 2g59A1 ARG 52 HB3 -0.01 -0.05 0.02 -0.04 1.80 1.72 2g59A1 ARG 52 HG2 -0.02 0.11 -0.04 -0.04 1.67 1.67 2g59A1 ARG 52 HG3 -0.02 -0.01 0.15 -0.04 1.67 1.75 2g59A1 ARG 52 HD2 -0.00 -0.04 0.02 -0.04 3.22 3.16 2g59A1 ARG 52 HD3 -0.00 0.03 0.00 -0.04 3.22 3.21 2g59A1 CYS 53 H -0.01 0.16 -0.29 -0.55 8.50 7.82 2g59A1 CYS 53 HA -0.01 0.11 0.38 -0.75 4.58 4.30 2g59A1 CYS 53 HB2 0.00 -0.05 0.07 -0.04 2.97 2.95 2g59A1 CYS 53 HB3 -0.00 -0.02 0.04 -0.04 2.97 2.95 2g59A1 LYS 54 H 0.03 0.46 -0.64 -0.55 8.42 7.71 2g59A1 LYS 54 HA 0.03 0.04 0.64 -0.75 4.32 4.28 2g59A1 LYS 54 HB2 0.27 0.18 -0.00 -0.04 1.87 2.27 2g59A1 LYS 54 HB3 0.15 -0.09 0.08 -0.04 1.79 1.88 2g59A1 LYS 54 HG2 0.07 -0.03 -0.11 -0.04 1.46 1.34 2g59A1 LYS 54 HG3 0.06 -0.08 -0.13 -0.04 1.46 1.27 2g59A1 LYS 54 HD2 0.24 -0.02 -0.01 -0.04 1.69 1.85 2g59A1 LYS 54 HD3 0.22 0.13 -0.02 -0.04 1.68 1.96 2g59A1 LYS 54 HE2 0.07 -0.06 -0.03 -0.04 2.99 2.93 2g59A1 LYS 54 HE3 0.05 0.04 -0.00 -0.04 2.99 3.04 2g59A1 ASN 55 H 0.02 0.44 -0.26 -0.55 8.53 8.18 2g59A1 ASN 55 HA 0.02 0.07 0.87 -0.75 4.76 4.97 2g59A1 ASN 55 HB2 0.01 0.08 0.08 -0.04 2.88 3.01 2g59A1 ASN 55 HB3 0.02 0.11 -0.04 -0.04 2.79 2.84 2g59A1 ASN 55 HD21 -0.03 0.11 -0.01 -0.04 7.03 7.07 2g59A1 ASN 55 HD22 -0.01 -0.06 -0.02 -0.04 7.74 7.61 2g59A1 ARG 56 H -0.09 0.17 0.14 -0.55 8.46 8.13 2g59A1 ARG 56 HA -0.22 0.06 0.40 -0.75 4.34 3.83 2g59A1 ARG 56 HB2 -0.22 0.09 0.11 -0.04 1.90 1.84 2g59A1 ARG 56 HB3 -0.29 -0.05 0.17 -0.04 1.80 1.59 2g59A1 ARG 56 HG2 -1.63 -0.09 -0.19 -0.04 1.67 -0.27 2g59A1 ARG 56 HG3 -0.46 -0.03 0.03 -0.04 1.67 1.17 2g59A1 ARG 56 HD2 -0.16 0.02 -0.05 -0.04 3.22 2.99 2g59A1 ARG 56 HD3 -0.22 -0.06 -0.02 -0.04 3.22 2.88 2g59A1 TYR 57 H -0.02 0.20 -0.05 -0.55 8.29 7.87 2g59A1 TYR 57 HA -0.00 0.20 0.91 -0.75 4.56 4.92 2g59A1 TYR 57 HB2 -0.01 0.00 0.11 -0.04 3.06 3.12 2g59A1 TYR 57 HB3 -0.00 -0.10 0.05 -0.04 2.98 2.89 2g59A1 TYR 57 HD2 0.00 0.01 0.04 -0.04 7.15 7.16 2g59A1 TYR 57 HE2 0.01 -0.06 -0.08 -0.04 6.85 6.68 2g59A1 THR 58 H 0.12 0.15 0.11 -0.55 8.28 8.10 2g59A1 THR 58 HA 0.03 0.20 0.34 -0.75 4.39 4.21 2g59A1 THR 58 HB 0.03 0.04 0.07 -0.04 4.32 4.42 2g59A1 THR 58 HG23 0.03 0.02 0.04 -0.04 1.22 1.26 2g59A1 ASN 59 H 0.07 -0.06 -0.33 -0.55 8.53 7.66 2g59A1 ASN 59 HA -0.02 0.30 0.88 -0.75 4.76 5.18 2g59A1 ASN 59 HB2 -0.01 0.05 0.07 -0.04 2.88 2.95 2g59A1 ASN 59 HB3 0.01 -0.02 -0.05 -0.04 2.79 2.68 2g59A1 ASN 59 HD21 -0.06 -0.05 -0.09 -0.04 7.03 6.80 2g59A1 ASN 59 HD22 -0.03 0.05 -0.08 -0.04 7.74 7.65 2g59A1 ILE 60 H 0.06 0.14 -0.26 -0.55 8.25 7.64 2g59A1 ILE 60 HA -0.05 0.15 0.73 -0.75 4.18 4.25 2g59A1 ILE 60 HB 0.11 -0.05 0.19 -0.04 1.89 2.11 2g59A1 ILE 60 HG12 -0.00 -0.12 -0.11 -0.04 1.49 1.21 2g59A1 ILE 60 HG13 0.01 -0.13 -0.03 -0.04 1.21 1.03 2g59A1 ILE 60 HG23 -0.01 0.04 -0.15 -0.04 0.93 0.77 2g59A1 ILE 60 HD13 -0.04 0.05 -0.17 -0.04 0.88 0.68 2g59A1 LEU 61 H -0.16 0.26 0.00 -0.55 8.37 7.93 2g59A1 LEU 61 HA -0.05 0.21 0.86 -0.75 4.35 4.62 2g59A1 LEU 61 HB2 -0.54 -0.03 -0.10 -0.04 1.64 0.94 2g59A1 LEU 61 HB3 -0.17 0.02 -0.06 -0.04 1.64 1.39 2g59A1 LEU 61 HG -0.15 -0.14 -0.65 -0.04 1.64 0.66 2g59A1 LEU 61 HD13 -0.27 0.02 -0.12 -0.04 0.93 0.52 2g59A1 LEU 61 HD23 -0.03 0.09 -0.23 -0.04 0.89 0.69 2g59A1 PRO 62 HA -0.23 0.06 0.59 -0.51 4.44 4.35 2g59A1 PRO 62 HB2 -0.07 0.19 0.02 -0.04 2.28 2.38 2g59A1 PRO 62 HB3 -0.12 -0.02 0.00 -0.04 2.02 1.84 2g59A1 PRO 62 HG2 0.19 -0.07 0.09 -0.04 2.03 2.20 2g59A1 PRO 62 HG3 -0.05 0.06 0.11 -0.04 2.03 2.11 2g59A1 PRO 62 HD2 0.12 0.08 0.20 -0.04 3.68 4.04 2g59A1 PRO 62 HD3 0.01 0.14 0.15 -0.04 3.65 3.91 2g59A1 TYR 63 H -0.27 0.18 0.14 -0.55 8.29 7.79 2g59A1 TYR 63 HA 0.09 0.15 0.45 -0.75 4.56 4.49 2g59A1 TYR 63 HB2 -0.15 -0.00 0.06 -0.04 3.06 2.93 2g59A1 TYR 63 HB3 0.17 -0.07 0.06 -0.04 2.98 3.10 2g59A1 TYR 63 HD2 0.08 0.10 -0.33 -0.04 7.15 6.96 2g59A1 TYR 63 HE2 0.09 0.08 -0.32 -0.04 6.85 6.67 2g59A1 ASP 64 H 0.14 0.54 0.37 -0.55 8.40 8.90 2g59A1 ASP 64 HA 0.10 0.08 0.45 -0.75 4.63 4.51 2g59A1 ASP 64 HB2 0.04 0.03 0.15 -0.04 2.71 2.89 2g59A1 ASP 64 HB3 0.10 0.04 0.01 -0.04 2.70 2.81 2g59A1 PHE 65 H 0.29 0.10 0.01 -0.55 8.34 8.19 2g59A1 PHE 65 HA 0.05 0.06 0.37 -0.75 4.62 4.34 2g59A1 PHE 65 HB2 -0.01 0.00 0.12 -0.04 3.15 3.22 2g59A1 PHE 65 HB3 -0.04 -0.07 0.16 -0.04 3.06 3.07 2g59A1 PHE 65 HD2 -0.05 -0.07 -0.03 -0.04 7.28 7.08 2g59A1 PHE 65 HE2 -0.25 0.05 0.03 -0.04 7.38 7.17 2g59A1 PHE 65 HZ -1.05 0.18 0.13 -0.04 7.32 6.53 2g59A1 SER 66 H -0.64 0.03 -0.33 -0.55 8.46 6.98 2g59A1 SER 66 HA -0.18 0.22 1.01 -0.75 4.49 4.79 2g59A1 SER 66 HB2 -0.06 0.08 0.29 -0.04 3.95 4.22 2g59A1 SER 66 HB3 -1.37 -0.06 0.10 -0.04 3.93 2.56 2g59A1 ARG 67 H -0.06 0.21 -0.13 -0.55 8.46 7.92 2g59A1 ARG 67 HA -0.13 0.21 0.70 -0.75 4.34 4.37 2g59A1 ARG 67 HB2 -0.09 0.03 0.19 -0.04 1.90 1.99 2g59A1 ARG 67 HB3 -0.01 0.15 0.09 -0.04 1.80 1.99 2g59A1 ARG 67 HG2 0.04 0.23 0.11 -0.04 1.67 2.00 2g59A1 ARG 67 HG3 0.02 -0.02 -0.33 -0.04 1.67 1.30 2g59A1 ARG 67 HD2 0.15 0.00 -0.05 -0.04 3.22 3.28 2g59A1 ARG 67 HD3 0.13 -0.07 -0.06 -0.04 3.22 3.18 2g59A1 VAL 68 H -0.24 0.41 0.23 -0.55 8.24 8.08 2g59A1 VAL 68 HA -0.23 0.08 0.61 -0.75 4.13 3.84 2g59A1 VAL 68 HB -0.29 -0.05 0.00 -0.04 2.12 1.74 2g59A1 VAL 68 HG13 -0.21 -0.00 -0.21 -0.04 0.97 0.50 2g59A1 VAL 68 HG23 -0.85 0.00 -0.23 -0.04 0.95 -0.17 2g59A1 ARG 69 H 0.03 0.15 0.13 -0.55 8.46 8.22 2g59A1 ARG 69 HA -0.02 0.33 1.00 -0.75 4.34 4.90 2g59A1 ARG 69 HB2 0.05 -0.05 0.10 -0.04 1.90 1.96 2g59A1 ARG 69 HB3 0.03 0.01 -0.03 -0.04 1.80 1.77 2g59A1 ARG 69 HG2 0.05 -0.06 -0.09 -0.04 1.67 1.53 2g59A1 ARG 69 HG3 0.04 0.10 -0.29 -0.04 1.67 1.48 2g59A1 ARG 69 HD2 0.08 0.05 -0.00 -0.04 3.22 3.30 2g59A1 ARG 69 HD3 0.06 -0.07 -0.02 -0.04 3.22 3.14 2g59A1 LEU 70 H -0.03 0.70 0.25 -0.55 8.37 8.74 2g59A1 LEU 70 HA -0.04 0.04 0.49 -0.75 4.35 4.09 2g59A1 LEU 70 HB2 -0.01 0.06 0.05 -0.04 1.64 1.70 2g59A1 LEU 70 HB3 -0.03 -0.04 -0.03 -0.04 1.64 1.50 2g59A1 LEU 70 HG -0.08 0.08 -0.23 -0.04 1.64 1.37 2g59A1 LEU 70 HD13 -0.04 0.00 -0.11 -0.04 0.93 0.74 2g59A1 LEU 70 HD23 -0.09 -0.02 -0.14 -0.04 0.89 0.59 2g59A1 VAL 71 H -0.02 0.16 0.14 -0.55 8.24 7.97 2g59A1 VAL 71 HA 0.01 0.14 0.80 -0.75 4.13 4.32 2g59A1 VAL 71 HB -0.01 -0.00 0.07 -0.04 2.12 2.14 2g59A1 VAL 71 HG13 0.01 -0.02 -0.12 -0.04 0.97 0.80 2g59A1 VAL 71 HG23 0.01 0.04 -0.08 -0.04 0.95 0.88 2g59A1 SER 72 H 0.01 0.28 0.15 -0.55 8.46 8.35 2g59A1 SER 72 HA -0.01 0.11 0.50 -0.75 4.49 4.34 2g59A1 SER 72 HB2 0.01 -0.03 -0.22 -0.04 3.95 3.67 2g59A1 SER 72 HB3 0.01 -0.03 -0.04 -0.04 3.93 3.82 2g59A1 MET 73 H 0.01 0.19 0.10 -0.55 8.47 8.23 2g59A1 MET 73 HA 0.02 0.11 0.72 -0.75 4.52 4.61 2g59A1 MET 73 HB2 0.03 0.03 0.06 -0.04 2.15 2.23 2g59A1 MET 73 HB3 0.03 0.00 0.16 -0.04 2.03 2.18 2g59A1 MET 73 HG2 0.02 0.02 -0.24 -0.04 2.63 2.40 2g59A1 MET 73 HG3 0.02 0.00 -0.01 -0.04 2.56 2.53 2g59A1 MET 73 HE3 0.03 0.00 -0.01 -0.04 2.10 2.08 2g59A1 ASN 74 H 0.02 0.19 0.19 -0.55 8.53 8.38 2g59A1 ASN 74 HA 0.02 0.03 0.32 -0.75 4.76 4.38 2g59A1 ASN 74 HB2 0.02 0.10 0.00 -0.04 2.88 2.95 2g59A1 ASN 74 HB3 0.01 -0.01 0.15 -0.04 2.79 2.91 2g59A1 ASN 74 HD21 0.02 0.01 0.02 -0.04 7.03 7.03 2g59A1 ASN 74 HD22 0.01 0.04 0.09 -0.04 7.74 7.84 2g59A1 GLU 75 H 0.02 -0.02 -0.74 -0.55 8.60 7.31 2g59A1 GLU 75 HA 0.02 0.11 0.39 -0.75 4.29 4.06 2g59A1 GLU 75 HB2 0.01 -0.07 -0.15 -0.04 2.09 1.85 2g59A1 GLU 75 HB3 0.02 0.03 -0.14 -0.04 1.99 1.86 2g59A1 GLU 75 HG2 0.02 0.01 0.03 -0.04 2.34 2.36 2g59A1 GLU 75 HG3 0.02 -0.01 0.09 -0.04 2.34 2.40 2g59A1 GLU 76 H 0.02 0.07 0.10 -0.55 8.60 8.24 2g59A1 GLU 76 HA 0.01 0.08 0.38 -0.75 4.29 4.01 2g59A1 GLU 76 HB2 0.02 0.04 0.00 -0.04 2.09 2.11 2g59A1 GLU 76 HB3 0.01 -0.01 0.13 -0.04 1.99 2.07 2g59A1 GLU 76 HG2 0.02 -0.03 0.11 -0.04 2.34 2.39 2g59A1 GLU 76 HG3 0.01 0.03 0.05 -0.04 2.34 2.39 2g59A1 GLU 77 H 0.01 0.10 0.14 -0.55 8.60 8.31 2g59A1 GLU 77 HA 0.02 0.05 0.44 -0.75 4.29 4.05 2g59A1 GLU 77 HB2 0.01 0.00 0.12 -0.04 2.09 2.18 2g59A1 GLU 77 HB3 0.01 0.01 0.03 -0.04 1.99 2.00 2g59A1 GLU 77 HG2 0.01 0.03 0.06 -0.04 2.34 2.40 2g59A1 GLU 77 HG3 0.01 -0.01 0.10 -0.04 2.34 2.40 2g59A1 GLY 78 H 0.03 0.13 0.16 -0.55 8.43 8.21 2g59A1 GLY 78 HA2 0.04 0.01 0.33 -0.51 4.01 3.87 2g59A1 GLY 78 HA3 0.02 0.15 0.41 -0.51 4.01 4.09 2g59A1 ALA 79 H 0.03 0.42 -0.47 -0.55 8.40 7.83 2g59A1 ALA 79 HA 0.04 0.10 0.29 -0.75 4.34 4.02 2g59A1 ALA 79 HB3 0.02 -0.01 -0.08 -0.04 1.41 1.30 2g59A1 ASP 80 H 0.06 -0.06 -0.45 -0.55 8.40 7.40 2g59A1 ASP 80 HA 0.02 0.24 0.52 -0.75 4.63 4.66 2g59A1 ASP 80 HB2 0.04 0.13 0.13 -0.04 2.71 2.96 2g59A1 ASP 80 HB3 0.04 -0.09 0.03 -0.04 2.70 2.65 2g59A1 TYR 81 H 0.16 0.40 -0.39 -0.55 8.29 7.91 2g59A1 TYR 81 HA -0.01 0.19 0.75 -0.75 4.56 4.74 2g59A1 TYR 81 HB2 0.01 -0.14 -0.01 -0.04 3.06 2.88 2g59A1 TYR 81 HB3 -0.00 0.13 0.08 -0.04 2.98 3.15 2g59A1 TYR 81 HD2 -0.00 -0.04 -0.19 -0.04 7.15 6.87 2g59A1 TYR 81 HE2 -0.01 -0.01 -0.18 -0.04 6.85 6.60 2g59A1 ILE 82 H -0.75 0.38 0.26 -0.55 8.25 7.59 2g59A1 ILE 82 HA -0.35 0.07 0.56 -0.75 4.18 3.71 2g59A1 ILE 82 HB -0.17 0.06 -0.17 -0.04 1.89 1.57 2g59A1 ILE 82 HG12 -0.20 0.02 -0.29 -0.04 1.49 0.98 2g59A1 ILE 82 HG13 -0.16 -0.05 0.04 -0.04 1.21 1.00 2g59A1 ILE 82 HG23 -0.24 0.04 -0.10 -0.04 0.93 0.59 2g59A1 ILE 82 HD13 -0.11 -0.01 -0.22 -0.04 0.88 0.50 2g59A1 ASN 83 H -0.28 0.19 0.10 -0.55 8.53 7.99 2g59A1 ASN 83 HA -0.29 0.10 0.60 -0.75 4.76 4.41 2g59A1 ASN 83 HB2 -0.04 0.10 0.18 -0.04 2.88 3.08 2g59A1 ASN 83 HB3 -0.10 -0.09 0.32 -0.04 2.79 2.87 2g59A1 ASN 83 HD21 0.00 0.45 0.19 -0.04 7.03 7.64 2g59A1 ASN 83 HD22 0.05 -0.06 0.15 -0.04 7.74 7.84 2g59A1 ALA 84 H -0.26 0.50 0.38 -0.55 8.40 8.48 2g59A1 ALA 84 HA -0.13 0.24 0.86 -0.75 4.34 4.55 2g59A1 ALA 84 HB3 -0.19 -0.00 -0.17 -0.04 1.41 1.00 2g59A1 ASN 85 H -0.12 0.70 0.37 -0.55 8.53 8.93 2g59A1 ASN 85 HA -0.18 0.22 0.96 -0.75 4.76 5.01 2g59A1 ASN 85 HB2 -0.04 -0.11 0.01 -0.04 2.88 2.69 2g59A1 ASN 85 HB3 -0.01 0.26 0.00 -0.04 2.79 3.00 2g59A1 ASN 85 HD21 -0.10 -0.22 0.04 -0.04 7.03 6.70 2g59A1 ASN 85 HD22 -0.12 -0.01 -0.27 -0.04 7.74 7.30 2g59A1 TYR 86 H 0.00 0.65 0.30 -0.55 8.29 8.69 2g59A1 TYR 86 HA 0.02 0.18 0.73 -0.75 4.56 4.73 2g59A1 TYR 86 HB2 0.03 0.01 0.21 -0.04 3.06 3.27 2g59A1 TYR 86 HB3 0.01 -0.03 0.06 -0.04 2.98 2.99 2g59A1 TYR 86 HD2 -0.01 0.14 0.00 -0.04 7.15 7.24 2g59A1 TYR 86 HE2 -0.02 0.03 -0.02 -0.04 6.85 6.80 2g59A1 ILE 87 H 0.17 0.65 0.25 -0.55 8.25 8.77 2g59A1 ILE 87 HA -0.01 0.22 0.93 -0.75 4.18 4.57 2g59A1 ILE 87 HB 0.16 -0.13 -0.04 -0.04 1.89 1.84 2g59A1 ILE 87 HG12 0.08 0.05 -0.28 -0.04 1.49 1.29 2g59A1 ILE 87 HG13 0.04 -0.10 -0.12 -0.04 1.21 0.99 2g59A1 ILE 87 HG23 0.03 0.05 -0.02 -0.04 0.93 0.95 2g59A1 ILE 87 HD13 0.13 0.08 -0.26 -0.04 0.88 0.79 2g59A1 PRO 88 HA -0.06 0.06 0.45 -0.51 4.44 4.39 2g59A1 PRO 88 HB2 -0.11 -0.05 -0.03 -0.04 2.28 2.06 2g59A1 PRO 88 HB3 -0.11 -0.02 0.08 -0.04 2.02 1.92 2g59A1 PRO 88 HG2 -0.70 -0.02 0.05 -0.04 2.03 1.33 2g59A1 PRO 88 HG3 -0.54 0.17 0.13 -0.04 2.03 1.75 2g59A1 PRO 88 HD2 -0.40 0.03 0.14 -0.04 3.68 3.42 2g59A1 PRO 88 HD3 -0.98 0.22 0.20 -0.04 3.65 3.05 2g59A1 GLY 89 H 0.01 0.56 0.25 -0.55 8.43 8.70 2g59A1 GLY 89 HA2 0.36 0.22 0.82 -0.51 4.01 4.91 2g59A1 GLY 89 HA3 0.09 -0.06 0.36 -0.51 4.01 3.89 2g59A1 TYR 90 H 0.25 0.15 0.13 -0.55 8.29 8.27 2g59A1 TYR 90 HA 0.04 0.11 0.44 -0.75 4.56 4.40 2g59A1 TYR 90 HB2 0.04 -0.01 0.17 -0.04 3.06 3.22 2g59A1 TYR 90 HB3 0.01 -0.01 0.09 -0.04 2.98 3.03 2g59A1 TYR 90 HD2 0.05 -0.02 -0.09 -0.04 7.15 7.06 2g59A1 TYR 90 HE2 0.07 -0.02 -0.05 -0.04 6.85 6.82 2g59A1 ASN 91 H 0.05 -0.05 -0.15 -0.55 8.53 7.83 2g59A1 ASN 91 HA -0.10 0.25 0.84 -0.75 4.76 5.00 2g59A1 ASN 91 HB2 -0.03 0.00 -0.01 -0.04 2.88 2.80 2g59A1 ASN 91 HB3 -0.02 0.04 0.02 -0.04 2.79 2.79 2g59A1 ASN 91 HD21 0.10 0.03 -0.04 -0.04 7.03 7.07 2g59A1 ASN 91 HD22 0.01 -0.01 0.00 -0.04 7.74 7.70 2g59A1 SER 92 H -0.05 -0.00 -0.01 -0.55 8.46 7.85 2g59A1 SER 92 HA -0.05 0.27 0.63 -0.75 4.49 4.58 2g59A1 SER 92 HB2 -0.05 0.02 0.05 -0.04 3.95 3.92 2g59A1 SER 92 HB3 -0.05 0.14 -0.23 -0.04 3.93 3.75 2g59A1 PRO 93 HA -0.06 0.07 0.43 -0.51 4.44 4.36 2g59A1 PRO 93 HB2 -0.05 0.04 0.01 -0.04 2.28 2.24 2g59A1 PRO 93 HB3 -0.02 0.06 0.07 -0.04 2.02 2.08 2g59A1 PRO 93 HG2 -0.03 0.05 0.07 -0.04 2.03 2.08 2g59A1 PRO 93 HG3 -0.03 0.05 0.07 -0.04 2.03 2.08 2g59A1 PRO 93 HD2 -0.05 0.12 0.17 -0.04 3.68 3.88 2g59A1 PRO 93 HD3 -0.04 0.20 0.21 -0.04 3.65 3.98 2g59A1 GLN 94 H -0.06 0.09 -0.34 -0.55 8.47 7.61 2g59A1 GLN 94 HA 0.02 0.25 0.67 -0.75 4.36 4.55 2g59A1 GLN 94 HB2 -0.14 -0.02 0.05 -0.04 2.15 2.00 2g59A1 GLN 94 HB3 -0.14 0.06 0.11 -0.04 2.02 2.01 2g59A1 GLN 94 HG2 -0.16 0.13 -0.24 -0.04 2.40 2.09 2g59A1 GLN 94 HG3 -0.15 -0.11 -0.24 -0.04 2.39 1.85 2g59A1 GLN 94 HE21 -0.58 0.01 -0.00 -0.04 6.97 6.36 2g59A1 GLN 94 HE22 -0.29 0.04 -0.03 -0.04 7.69 7.37 2g59A1 GLU 95 H -0.04 0.28 -0.21 -0.55 8.60 8.08 2g59A1 GLU 95 HA -0.13 0.07 0.35 -0.75 4.29 3.83 2g59A1 GLU 95 HB2 -0.14 -0.10 0.18 -0.04 2.09 1.98 2g59A1 GLU 95 HB3 -0.33 0.06 0.05 -0.04 1.99 1.73 2g59A1 GLU 95 HG2 -0.81 0.05 -0.09 -0.04 2.34 1.45 2g59A1 GLU 95 HG3 -0.26 0.11 0.06 -0.04 2.34 2.20 2g59A1 TYR 96 H 0.12 0.52 -0.02 -0.55 8.29 8.35 2g59A1 TYR 96 HA 0.05 0.27 1.10 -0.75 4.56 5.22 2g59A1 TYR 96 HB2 0.04 -0.00 -0.04 -0.04 3.06 3.01 2g59A1 TYR 96 HB3 0.06 0.01 0.00 -0.04 2.98 3.01 2g59A1 TYR 96 HD2 0.06 0.19 -0.18 -0.04 7.15 7.17 2g59A1 TYR 96 HE2 0.06 -0.07 -0.00 -0.04 6.85 6.79 2g59A1 ILE 97 H 0.16 0.61 0.22 -0.55 8.25 8.69 2g59A1 ILE 97 HA -0.01 0.28 0.82 -0.75 4.18 4.51 2g59A1 ILE 97 HB -0.02 -0.07 -0.03 -0.04 1.89 1.73 2g59A1 ILE 97 HG12 -0.25 0.04 -0.13 -0.04 1.49 1.10 2g59A1 ILE 97 HG13 0.06 0.01 -0.46 -0.04 1.21 0.78 2g59A1 ILE 97 HG23 -0.16 -0.02 -0.28 -0.04 0.93 0.43 2g59A1 ILE 97 HD13 -0.08 -0.00 -0.16 -0.04 0.88 0.59 2g59A1 ALA 98 H -0.00 0.76 0.27 -0.55 8.40 8.88 2g59A1 ALA 98 HA 0.02 0.22 0.97 -0.75 4.34 4.79 2g59A1 ALA 98 HB3 -0.00 0.01 0.07 -0.04 1.41 1.44 2g59A1 THR 99 H 0.02 0.56 0.43 -0.55 8.28 8.74 2g59A1 THR 99 HA -0.07 0.21 0.94 -0.75 4.39 4.71 2g59A1 THR 99 HB -0.06 -0.06 -0.30 -0.04 4.32 3.86 2g59A1 THR 99 HG23 0.04 0.05 -0.23 -0.04 1.22 1.05 2g59A1 GLN 100 H -0.09 0.41 0.21 -0.55 8.47 8.45 2g59A1 GLN 100 HA -0.01 -0.18 -0.02 -0.75 4.36 3.39 2g59A1 GLN 100 HB2 -0.05 0.07 0.18 -0.04 2.15 2.31 2g59A1 GLN 100 HB3 -0.04 0.07 0.11 -0.04 2.02 2.13 2g59A1 GLN 100 HG2 -0.11 0.09 0.13 -0.04 2.40 2.47 2g59A1 GLN 100 HG3 -0.15 0.01 -0.47 -0.04 2.39 1.74 2g59A1 GLN 100 HE21 -0.07 0.19 0.05 -0.04 6.97 7.10 2g59A1 GLN 100 HE22 -0.11 -0.13 -0.02 -0.04 7.69 7.39 2g59A1 GLY 101 H -0.02 0.71 0.18 -0.55 8.43 8.75 2g59A1 GLY 101 HA2 -0.38 0.05 0.56 -0.51 4.01 3.72 2g59A1 GLY 101 HA3 -0.01 0.07 0.54 -0.51 4.01 4.10 2g59A1 PRO 102 HA -0.28 0.01 0.32 -0.51 4.44 3.98 2g59A1 PRO 102 HB2 -0.44 -0.06 -0.01 -0.04 2.28 1.74 2g59A1 PRO 102 HB3 -0.47 -0.00 -0.06 -0.04 2.02 1.44 2g59A1 PRO 102 HG2 -2.55 0.01 0.02 -0.04 2.03 -0.53 2g59A1 PRO 102 HG3 -1.19 0.10 0.03 -0.04 2.03 0.93 2g59A1 PRO 102 HD2 -0.74 0.04 0.17 -0.04 3.68 3.11 2g59A1 PRO 102 HD3 -1.25 0.28 0.27 -0.04 3.65 2.91 2g59A1 LEU 103 H -0.12 0.10 0.13 -0.55 8.37 7.93 2g59A1 LEU 103 HA -0.06 0.21 0.78 -0.75 4.35 4.52 2g59A1 LEU 103 HB2 -0.05 -0.11 0.04 -0.04 1.64 1.48 2g59A1 LEU 103 HB3 -0.04 -0.01 0.11 -0.04 1.64 1.66 2g59A1 LEU 103 HG -0.11 0.06 -0.07 -0.04 1.64 1.48 2g59A1 LEU 103 HD13 -0.06 0.02 -0.29 -0.04 0.93 0.57 2g59A1 LEU 103 HD23 -0.11 0.00 -0.01 -0.04 0.89 0.73 2g59A1 PRO 104 HA 0.04 0.08 0.39 -0.51 4.44 4.44 2g59A1 PRO 104 HB2 0.02 0.04 0.08 -0.04 2.28 2.37 2g59A1 PRO 104 HB3 0.03 0.06 0.09 -0.04 2.02 2.16 2g59A1 PRO 104 HG2 0.01 0.08 0.08 -0.04 2.03 2.15 2g59A1 PRO 104 HG3 0.02 0.02 0.07 -0.04 2.03 2.10 2g59A1 PRO 104 HD2 -0.02 0.14 0.20 -0.04 3.68 3.97 2g59A1 PRO 104 HD3 -0.02 0.16 0.21 -0.04 3.65 3.97 2g59A1 GLU 105 H -0.00 0.15 -0.23 -0.55 8.60 7.98 2g59A1 GLU 105 HA 0.03 0.10 0.43 -0.75 4.29 4.09 2g59A1 GLU 105 HB2 0.00 0.14 -0.04 -0.04 2.09 2.15 2g59A1 GLU 105 HB3 0.01 0.02 0.07 -0.04 1.99 2.05 2g59A1 GLU 105 HG2 0.01 0.03 0.02 -0.04 2.34 2.35 2g59A1 GLU 105 HG3 0.01 -0.06 -0.01 -0.04 2.34 2.24 2g59A1 THR 106 H -0.02 0.35 -0.39 -0.55 8.28 7.68 2g59A1 THR 106 HA 0.01 0.26 1.09 -0.75 4.39 4.99 2g59A1 THR 106 HB -0.05 -0.01 0.19 -0.04 4.32 4.41 2g59A1 THR 106 HG23 -0.01 0.06 -0.07 -0.04 1.22 1.16 2g59A1 ARG 107 H 0.02 0.39 -0.06 -0.55 8.46 8.26 2g59A1 ARG 107 HA -0.14 0.04 0.36 -0.75 4.34 3.85 2g59A1 ARG 107 HB2 0.09 0.07 0.06 -0.04 1.90 2.08 2g59A1 ARG 107 HB3 0.05 0.03 0.03 -0.04 1.80 1.87 2g59A1 ARG 107 HG2 0.15 0.18 0.10 -0.04 1.67 2.06 2g59A1 ARG 107 HG3 0.28 -0.04 -0.15 -0.04 1.67 1.72 2g59A1 ARG 107 HD2 0.43 -0.01 -0.04 -0.04 3.22 3.55 2g59A1 ARG 107 HD3 0.39 0.12 -0.05 -0.04 3.22 3.63 2g59A1 ASN 108 H 0.12 0.15 -0.27 -0.55 8.53 7.98 2g59A1 ASN 108 HA 0.31 0.13 0.41 -0.75 4.76 4.85 2g59A1 ASN 108 HB2 0.10 0.04 -0.00 -0.04 2.88 2.98 2g59A1 ASN 108 HB3 0.12 0.01 -0.10 -0.04 2.79 2.78 2g59A1 ASN 108 HD21 0.11 0.00 0.02 -0.04 7.03 7.12 2g59A1 ASN 108 HD22 0.09 0.04 -0.01 -0.04 7.74 7.81 2g59A1 ASP 109 H 0.04 0.11 -0.26 -0.55 8.40 7.74 2g59A1 ASP 109 HA -0.00 0.05 0.39 -0.75 4.63 4.32 2g59A1 ASP 109 HB2 -0.02 0.09 0.16 -0.04 2.71 2.89 2g59A1 ASP 109 HB3 -0.05 0.06 0.01 -0.04 2.70 2.69 2g59A1 PHE 110 H -0.00 0.47 -0.25 -0.55 8.34 8.00 2g59A1 PHE 110 HA -0.30 0.05 0.36 -0.75 4.62 3.97 2g59A1 PHE 110 HB2 -0.48 -0.01 0.06 -0.04 3.15 2.68 2g59A1 PHE 110 HB3 -0.68 0.16 0.14 -0.04 3.06 2.63 2g59A1 PHE 110 HD2 -1.22 0.03 -0.12 -0.04 7.28 5.93 2g59A1 PHE 110 HE2 -0.78 0.01 -0.15 -0.04 7.38 6.42 2g59A1 PHE 110 HZ -0.31 -0.02 -0.15 -0.04 7.32 6.81 2g59A1 TRP 111 H -0.02 0.46 -0.11 -0.55 7.97 7.75 2g59A1 TRP 111 HA -0.25 0.03 0.39 -0.75 4.62 4.03 2g59A1 TRP 111 HB2 -0.03 0.09 0.13 -0.04 3.23 3.38 2g59A1 TRP 111 HB3 -0.04 -0.03 -0.03 -0.04 3.23 3.09 2g59A1 TRP 111 HD1 -0.34 -0.02 -0.04 -0.04 7.22 6.78 2g59A1 TRP 111 HE1 -0.79 0.43 0.05 -0.04 10.20 9.85 2g59A1 TRP 111 HE3 -0.10 -0.03 -0.05 -0.04 7.59 7.37 2g59A1 TRP 111 HZ2 -0.08 -0.03 -0.18 -0.04 7.44 7.11 2g59A1 TRP 111 HZ3 0.01 0.03 -0.15 -0.04 7.13 6.97 2g59A1 TRP 111 HH2 -0.44 -0.02 -0.15 -0.04 7.19 6.55 2g59A1 LYS 112 H 0.05 0.45 -0.35 -0.55 8.42 8.01 2g59A1 LYS 112 HA -0.01 -0.02 0.39 -0.75 4.32 3.93 2g59A1 LYS 112 HB2 0.00 0.01 0.11 -0.04 1.87 1.95 2g59A1 LYS 112 HB3 -0.04 0.18 0.14 -0.04 1.79 2.02 2g59A1 LYS 112 HG2 -0.06 -0.02 -0.10 -0.04 1.46 1.24 2g59A1 LYS 112 HG3 -0.09 -0.06 0.06 -0.04 1.46 1.34 2g59A1 LYS 112 HD2 -0.03 0.04 -0.03 -0.04 1.69 1.63 2g59A1 LYS 112 HD3 -0.05 0.12 0.02 -0.04 1.68 1.72 2g59A1 LYS 112 HE2 -0.06 -0.06 0.01 -0.04 2.99 2.84 2g59A1 LYS 112 HE3 -0.01 0.03 -0.04 -0.04 2.99 2.93 2g59A1 MET 113 H -0.17 0.53 -0.22 -0.55 8.47 8.06 2g59A1 MET 113 HA -0.13 -0.01 0.34 -0.75 4.52 3.97 2g59A1 MET 113 HB2 -0.20 0.01 0.01 -0.04 2.15 1.93 2g59A1 MET 113 HB3 -0.39 0.13 0.12 -0.04 2.03 1.84 2g59A1 MET 113 HG2 -0.25 0.01 -0.33 -0.04 2.63 2.01 2g59A1 MET 113 HG3 -0.18 -0.03 -0.11 -0.04 2.56 2.21 2g59A1 MET 113 HE3 -0.24 -0.00 -0.15 -0.04 2.10 1.67 2g59A1 VAL 114 H -0.40 0.58 -0.15 -0.55 8.24 7.72 2g59A1 VAL 114 HA -0.22 -0.01 0.27 -0.75 4.13 3.42 2g59A1 VAL 114 HB 0.03 0.07 0.09 -0.04 2.12 2.26 2g59A1 VAL 114 HG13 0.11 -0.01 -0.20 -0.04 0.97 0.83 2g59A1 VAL 114 HG23 -0.98 0.06 -0.07 -0.04 0.95 -0.08 2g59A1 LEU 115 H 0.01 0.55 -0.22 -0.55 8.37 8.16 2g59A1 LEU 115 HA 0.05 0.07 0.40 -0.75 4.35 4.11 2g59A1 LEU 115 HB2 0.07 -0.01 0.01 -0.04 1.64 1.66 2g59A1 LEU 115 HB3 0.00 0.02 0.12 -0.04 1.64 1.74 2g59A1 LEU 115 HG 0.04 0.00 -0.25 -0.04 1.64 1.39 2g59A1 LEU 115 HD13 0.08 0.00 -0.15 -0.04 0.93 0.82 2g59A1 LEU 115 HD23 0.06 -0.03 -0.09 -0.04 0.89 0.79 2g59A1 GLN 116 H -0.04 0.64 0.03 -0.55 8.47 8.55 2g59A1 GLN 116 HA -0.00 -0.01 0.39 -0.75 4.36 3.98 2g59A1 GLN 116 HB2 -0.05 0.15 0.16 -0.04 2.15 2.37 2g59A1 GLN 116 HB3 -0.02 -0.03 -0.01 -0.04 2.02 1.93 2g59A1 GLN 116 HG2 -0.03 -0.06 0.06 -0.04 2.40 2.33 2g59A1 GLN 116 HG3 -0.06 -0.02 0.09 -0.04 2.39 2.35 2g59A1 GLN 116 HE21 -0.06 0.33 0.16 -0.04 6.97 7.36 2g59A1 GLN 116 HE22 -0.10 -0.07 0.05 -0.04 7.69 7.52 2g59A1 GLN 117 H -0.04 0.69 -0.18 -0.55 8.47 8.40 2g59A1 GLN 117 HA 0.03 0.04 0.57 -0.75 4.36 4.24 2g59A1 GLN 117 HB2 -0.05 0.08 -0.01 -0.04 2.15 2.12 2g59A1 GLN 117 HB3 0.03 -0.05 0.06 -0.04 2.02 2.01 2g59A1 GLN 117 HG2 -0.06 0.04 0.01 -0.04 2.40 2.36 2g59A1 GLN 117 HG3 -0.08 -0.09 -0.08 -0.04 2.39 2.10 2g59A1 GLN 117 HE21 0.10 -0.02 -0.05 -0.04 6.97 6.96 2g59A1 GLN 117 HE22 0.00 -0.02 -0.12 -0.04 7.69 7.51 2g59A1 LYS 118 H 0.00 0.29 -0.66 -0.55 8.42 7.50 2g59A1 LYS 118 HA 0.03 0.08 0.31 -0.75 4.32 3.98 2g59A1 LYS 118 HB2 0.02 0.10 -0.06 -0.04 1.87 1.89 2g59A1 LYS 118 HB3 0.02 -0.09 0.17 -0.04 1.79 1.85 2g59A1 LYS 118 HG2 0.03 0.02 0.02 -0.04 1.46 1.49 2g59A1 LYS 118 HG3 0.02 0.13 -0.20 -0.04 1.46 1.36 2g59A1 LYS 118 HD2 0.02 -0.03 -0.04 -0.04 1.69 1.60 2g59A1 LYS 118 HD3 0.02 -0.05 0.00 -0.04 1.68 1.61 2g59A1 LYS 118 HE2 0.02 -0.09 0.00 -0.04 2.99 2.88 2g59A1 LYS 118 HE3 0.03 -0.01 0.00 -0.04 2.99 2.97 2g59A1 SER 119 H -0.01 0.31 -0.05 -0.55 8.46 8.16 2g59A1 SER 119 HA 0.01 0.20 0.59 -0.75 4.49 4.54 2g59A1 SER 119 HB2 -0.03 -0.12 0.06 -0.04 3.95 3.82 2g59A1 SER 119 HB3 0.01 -0.06 0.12 -0.04 3.93 3.96 2g59A1 GLN 120 H 0.03 0.28 0.22 -0.55 8.47 8.45 2g59A1 GLN 120 HA 0.07 0.23 0.98 -0.75 4.36 4.89 2g59A1 GLN 120 HB2 0.03 -0.02 0.18 -0.04 2.15 2.30 2g59A1 GLN 120 HB3 0.03 -0.05 0.29 -0.04 2.02 2.25 2g59A1 GLN 120 HG2 0.04 0.04 -0.06 -0.04 2.40 2.37 2g59A1 GLN 120 HG3 0.03 0.29 -0.03 -0.04 2.39 2.64 2g59A1 GLN 120 HE21 0.02 -0.06 0.08 -0.04 6.97 6.96 2g59A1 GLN 120 HE22 0.03 -0.01 0.07 -0.04 7.69 7.74 2g59A1 ILE 121 H 0.06 0.21 0.02 -0.55 8.25 7.99 2g59A1 ILE 121 HA 0.08 0.32 0.94 -0.75 4.18 4.76 2g59A1 ILE 121 HB 0.08 -0.03 0.05 -0.04 1.89 1.95 2g59A1 ILE 121 HG12 0.15 0.04 0.01 -0.04 1.49 1.65 2g59A1 ILE 121 HG13 0.06 -0.06 -0.58 -0.04 1.21 0.59 2g59A1 ILE 121 HG23 0.23 -0.02 -0.18 -0.04 0.93 0.92 2g59A1 ILE 121 HD13 0.06 0.02 -0.23 -0.04 0.88 0.69 2g59A1 ILE 122 H 0.06 0.72 0.40 -0.55 8.25 8.88 2g59A1 ILE 122 HA 0.08 0.32 1.02 -0.75 4.18 4.85 2g59A1 ILE 122 HB 0.20 -0.07 0.04 -0.04 1.89 2.02 2g59A1 ILE 122 HG12 0.11 0.05 -0.11 -0.04 1.49 1.49 2g59A1 ILE 122 HG13 0.15 -0.03 -0.42 -0.04 1.21 0.88 2g59A1 ILE 122 HG23 0.25 -0.02 -0.24 -0.04 0.93 0.88 2g59A1 ILE 122 HD13 0.28 -0.01 -0.17 -0.04 0.88 0.94 2g59A1 VAL 123 H -0.02 0.74 0.34 -0.55 8.24 8.75 2g59A1 VAL 123 HA -0.08 0.26 1.08 -0.75 4.13 4.63 2g59A1 VAL 123 HB -0.27 -0.06 0.22 -0.04 2.12 1.97 2g59A1 VAL 123 HG13 -0.67 -0.03 -0.10 -0.04 0.97 0.12 2g59A1 VAL 123 HG23 -0.05 0.02 -0.18 -0.04 0.95 0.70 2g59A1 MET 124 H -0.24 0.69 0.30 -0.55 8.47 8.67 2g59A1 MET 124 HA -0.72 0.37 1.00 -0.75 4.52 4.41 2g59A1 MET 124 HB2 -0.30 0.01 -0.08 -0.04 2.15 1.73 2g59A1 MET 124 HB3 -0.23 -0.06 0.15 -0.04 2.03 1.84 2g59A1 MET 124 HG2 -0.06 0.03 -0.09 -0.04 2.63 2.47 2g59A1 MET 124 HG3 -0.35 0.04 -0.04 -0.04 2.56 2.17 2g59A1 MET 124 HE3 0.33 -0.01 -0.19 -0.04 2.10 2.18 2g59A1 LEU 125 H -0.33 0.54 0.35 -0.55 8.37 8.39 2g59A1 LEU 125 HA -0.03 0.20 0.89 -0.75 4.35 4.65 2g59A1 LEU 125 HB2 -0.36 -0.18 -0.01 -0.04 1.64 1.05 2g59A1 LEU 125 HB3 -0.30 -0.03 0.13 -0.04 1.64 1.39 2g59A1 LEU 125 HG -0.29 0.03 -0.36 -0.04 1.64 0.97 2g59A1 LEU 125 HD13 -0.34 0.00 -0.27 -0.04 0.93 0.28 2g59A1 LEU 125 HD23 -0.11 0.00 -0.08 -0.04 0.89 0.66 2g59A1 THR 126 H -0.08 0.23 -0.18 -0.55 8.28 7.71 2g59A1 THR 126 HA 0.01 0.23 0.81 -0.75 4.39 4.68 2g59A1 THR 126 HB -0.07 -0.24 -0.17 -0.04 4.32 3.81 2g59A1 THR 126 HG23 0.05 0.03 -0.45 -0.04 1.22 0.80 2g59A1 GLN 127 H 0.05 0.10 0.07 -0.55 8.47 8.14 2g59A1 GLN 127 HA 0.12 0.17 0.68 -0.75 4.36 4.57 2g59A1 GLN 127 HB2 0.06 -0.01 0.02 -0.04 2.15 2.18 2g59A1 GLN 127 HB3 0.08 -0.04 0.11 -0.04 2.02 2.13 2g59A1 GLN 127 HG2 0.07 0.01 0.01 -0.04 2.40 2.45 2g59A1 GLN 127 HG3 0.05 0.02 -0.04 -0.04 2.39 2.38 2g59A1 GLN 127 HE21 0.02 -0.09 0.06 -0.04 6.97 6.92 2g59A1 GLN 127 HE22 0.02 0.58 0.16 -0.04 7.69 8.41 2g59A1 CYS 128 H 0.14 0.16 0.09 -0.55 8.50 8.34 2g59A1 CYS 128 HA 0.10 0.10 0.42 -0.75 4.58 4.45 2g59A1 CYS 128 HB2 0.09 -0.07 0.09 -0.04 2.97 3.04 2g59A1 CYS 128 HB3 0.05 0.11 0.09 -0.04 2.97 3.19 2g59A1 ASN 129 H 0.07 0.14 -0.18 -0.55 8.53 8.02 2g59A1 ASN 129 HA 0.05 0.30 0.85 -0.75 4.76 5.20 2g59A1 ASN 129 HB2 0.04 -0.04 -0.06 -0.04 2.88 2.78 2g59A1 ASN 129 HB3 0.04 -0.02 -0.22 -0.04 2.79 2.54 2g59A1 ASN 129 HD21 0.04 0.04 -0.12 -0.04 7.03 6.96 2g59A1 ASN 129 HD22 0.05 -0.02 -0.08 -0.04 7.74 7.65 2g59A1 GLU 130 H 0.04 0.81 0.18 -0.55 8.60 9.09 2g59A1 GLU 130 HA 0.04 0.13 0.85 -0.75 4.29 4.55 2g59A1 GLU 130 HB2 0.04 0.03 0.06 -0.04 2.09 2.18 2g59A1 GLU 130 HB3 0.04 0.01 0.06 -0.04 1.99 2.05 2g59A1 GLU 130 HG2 0.04 0.12 -0.25 -0.04 2.34 2.21 2g59A1 GLU 130 HG3 0.04 0.07 -0.29 -0.04 2.34 2.11 2g59A1 LYS 131 H 0.03 0.20 0.11 -0.55 8.42 8.21 2g59A1 LYS 131 HA 0.03 0.06 0.33 -0.75 4.32 3.98 2g59A1 LYS 131 HB2 0.04 0.16 -0.04 -0.04 1.87 1.99 2g59A1 LYS 131 HB3 0.03 0.03 0.20 -0.04 1.79 2.01 2g59A1 LYS 131 HG2 0.03 0.03 0.04 -0.04 1.46 1.52 2g59A1 LYS 131 HG3 0.04 -0.08 -0.12 -0.04 1.46 1.26 2g59A1 LYS 131 HD2 0.04 0.02 -0.05 -0.04 1.69 1.66 2g59A1 LYS 131 HD3 0.03 0.02 0.01 -0.04 1.68 1.69 2g59A1 LYS 131 HE2 0.04 0.01 -0.02 -0.04 2.99 2.98 2g59A1 LYS 131 HE3 0.03 0.01 -0.00 -0.04 2.99 2.98 2g59A1 ARG 132 H 0.03 0.05 -0.27 -0.55 8.46 7.71 2g59A1 ARG 132 HA 0.02 -0.01 0.17 -0.75 4.34 3.77 2g59A1 ARG 132 HB2 0.02 0.26 -0.11 -0.04 1.90 2.03 2g59A1 ARG 132 HB3 0.02 -0.01 0.17 -0.04 1.80 1.94 2g59A1 ARG 132 HG2 0.01 0.02 -0.05 -0.04 1.67 1.62 2g59A1 ARG 132 HG3 0.02 -0.01 -0.02 -0.04 1.67 1.62 2g59A1 ARG 132 HD2 0.02 -0.11 -0.15 -0.04 3.22 2.94 2g59A1 ARG 132 HD3 0.02 0.08 -0.37 -0.04 3.22 2.91 2g59A1 ARG 133 H 0.04 0.43 -0.69 -0.55 8.46 7.68 2g59A1 ARG 133 HA 0.04 0.14 0.95 -0.75 4.34 4.72 2g59A1 ARG 133 HB2 0.05 0.11 0.11 -0.04 1.90 2.13 2g59A1 ARG 133 HB3 0.06 0.01 0.03 -0.04 1.80 1.85 2g59A1 ARG 133 HG2 0.04 0.25 -0.09 -0.04 1.67 1.83 2g59A1 ARG 133 HG3 0.05 -0.07 0.01 -0.04 1.67 1.62 2g59A1 ARG 133 HD2 0.03 0.08 0.01 -0.04 3.22 3.30 2g59A1 ARG 133 HD3 0.03 -0.02 -0.02 -0.04 3.22 3.17 2g59A1 VAL 134 H 0.04 0.15 0.14 -0.55 8.24 8.01 2g59A1 VAL 134 HA 0.03 0.07 0.55 -0.75 4.13 4.02 2g59A1 VAL 134 HB 0.02 -0.00 0.15 -0.04 2.12 2.25 2g59A1 VAL 134 HG13 0.00 0.01 -0.19 -0.04 0.97 0.76 2g59A1 VAL 134 HG23 0.02 0.01 0.02 -0.04 0.95 0.95 2g59A1 LYS 135 H 0.04 0.66 0.47 -0.55 8.42 9.03 2g59A1 LYS 135 HA 0.07 0.12 0.99 -0.75 4.32 4.74 2g59A1 LYS 135 HB2 0.05 0.29 -0.07 -0.04 1.87 2.11 2g59A1 LYS 135 HB3 0.04 -0.18 -0.01 -0.04 1.79 1.60 2g59A1 LYS 135 HG2 0.05 0.11 -0.28 -0.04 1.46 1.29 2g59A1 LYS 135 HG3 0.03 -0.10 -0.10 -0.04 1.46 1.24 2g59A1 LYS 135 HD2 0.02 -0.18 0.05 -0.04 1.69 1.53 2g59A1 LYS 135 HD3 0.09 0.24 -0.02 -0.04 1.68 1.94 2g59A1 LYS 135 HE2 0.05 0.10 -0.09 -0.04 2.99 3.02 2g59A1 LYS 135 HE3 0.00 -0.12 -0.00 -0.04 2.99 2.82 2g59A1 CYS 136 H 0.05 0.53 0.38 -0.55 8.50 8.91 2g59A1 CYS 136 HA 0.01 0.18 0.60 -0.75 4.58 4.62 2g59A1 CYS 136 HB2 0.11 0.07 -0.23 -0.04 2.97 2.89 2g59A1 CYS 136 HB3 0.14 -0.10 -0.18 -0.04 2.97 2.79 2g59A1 ASP 137 H 0.01 0.60 0.15 -0.55 8.40 8.61 2g59A1 ASP 137 HA 0.02 0.01 0.48 -0.75 4.63 4.38 2g59A1 ASP 137 HB2 0.01 -0.06 0.00 -0.04 2.71 2.62 2g59A1 ASP 137 HB3 0.02 0.17 -0.16 -0.04 2.70 2.68 2g59A1 HIS 138 H -0.00 0.14 0.06 -0.55 8.41 8.06 2g59A1 HIS 138 HA -0.88 0.10 0.54 -0.75 4.63 3.63 2g59A1 HIS 138 HB2 -0.32 -0.03 0.12 -0.04 3.26 2.99 2g59A1 HIS 138 HB3 -0.33 0.00 0.20 -0.04 3.20 3.02 2g59A1 HIS 138 HD2 -0.37 -0.07 -0.00 -0.04 6.97 6.49 2g59A1 HIS 138 HE1 -1.54 0.23 -0.47 -0.04 7.75 5.92 2g59A1 TYR 139 H -0.16 0.54 -0.33 -0.55 8.29 7.79 2g59A1 TYR 139 HA -0.01 0.02 0.17 -0.75 4.56 3.99 2g59A1 TYR 139 HB2 -0.18 -0.01 0.05 -0.04 3.06 2.88 2g59A1 TYR 139 HB3 -0.19 -0.03 -0.07 -0.04 2.98 2.65 2g59A1 TYR 139 HD2 -0.13 0.09 -0.19 -0.04 7.15 6.87 2g59A1 TYR 139 HE2 -0.08 -0.00 -0.12 -0.04 6.85 6.61 2g59A1 TRP 140 H -0.78 0.02 -0.60 -0.55 7.97 6.07 2g59A1 TRP 140 HA 0.05 0.19 0.80 -0.75 4.62 4.91 2g59A1 TRP 140 HB2 -0.37 0.04 0.01 -0.04 3.23 2.88 2g59A1 TRP 140 HB3 -0.22 -0.06 -0.15 -0.04 3.23 2.76 2g59A1 TRP 140 HD1 0.17 0.21 -0.15 -0.04 7.22 7.41 2g59A1 TRP 140 HE1 -0.04 -0.01 -0.10 -0.04 10.20 10.01 2g59A1 TRP 140 HE3 -1.91 -0.05 -0.14 -0.04 7.59 5.45 2g59A1 TRP 140 HZ2 -0.22 -0.02 -0.07 -0.04 7.44 7.09 2g59A1 TRP 140 HZ3 -0.62 0.05 -0.06 -0.04 7.13 6.46 2g59A1 TRP 140 HH2 -0.22 -0.04 -0.07 -0.04 7.19 6.83 2g59A1 PRO 141 HA 0.04 -0.00 0.47 -0.51 4.44 4.44 2g59A1 PRO 141 HB2 0.24 0.10 0.00 -0.04 2.28 2.58 2g59A1 PRO 141 HB3 0.12 0.08 0.06 -0.04 2.02 2.23 2g59A1 PRO 141 HG2 0.06 0.04 -0.10 -0.04 2.03 1.99 2g59A1 PRO 141 HG3 0.15 0.03 0.05 -0.04 2.03 2.23 2g59A1 PRO 141 HD2 0.14 0.08 0.07 -0.04 3.68 3.93 2g59A1 PRO 141 HD3 0.03 0.13 0.13 -0.04 3.65 3.90 2g59A1 PHE 142 H 0.16 0.06 0.18 -0.55 8.34 8.19 2g59A1 PHE 142 HA 0.05 0.16 0.64 -0.75 4.62 4.71 2g59A1 PHE 142 HB2 -0.06 -0.06 0.12 -0.04 3.15 3.11 2g59A1 PHE 142 HB3 -0.08 -0.02 0.04 -0.04 3.06 2.96 2g59A1 PHE 142 HD2 -0.25 -0.02 0.05 -0.04 7.28 7.01 2g59A1 PHE 142 HE2 -0.52 -0.03 0.01 -0.04 7.38 6.80 2g59A1 PHE 142 HZ -0.43 -0.06 0.03 -0.04 7.32 6.82 2g59A1 THR 143 H 0.18 0.00 0.00 -0.55 8.28 7.91 2g59A1 THR 143 HA 0.13 0.29 0.88 -0.75 4.39 4.94 2g59A1 THR 143 HB 0.07 -0.11 0.22 -0.04 4.32 4.46 2g59A1 THR 143 HG23 0.08 0.01 -0.10 -0.04 1.22 1.17 2g59A1 GLU 144 H 0.07 0.11 0.14 -0.55 8.60 8.36 2g59A1 GLU 144 HA 0.08 0.30 0.66 -0.75 4.29 4.58 2g59A1 GLU 144 HB2 0.03 0.06 0.12 -0.04 2.09 2.26 2g59A1 GLU 144 HB3 0.05 0.04 0.05 -0.04 1.99 2.09 2g59A1 GLU 144 HG2 0.03 0.01 -0.16 -0.04 2.34 2.17 2g59A1 GLU 144 HG3 0.03 0.02 0.00 -0.04 2.34 2.35 2g59A1 GLU 145 H 0.05 -0.10 -0.18 -0.55 8.60 7.83 2g59A1 GLU 145 HA 0.02 0.13 0.50 -0.75 4.29 4.18 2g59A1 GLU 145 HB2 0.03 -0.09 0.07 -0.04 2.09 2.06 2g59A1 GLU 145 HB3 0.01 0.12 -0.02 -0.04 1.99 2.06 2g59A1 GLU 145 HG2 0.03 -0.13 0.05 -0.04 2.34 2.24 2g59A1 GLU 145 HG3 0.01 0.00 0.02 -0.04 2.34 2.34 2g59A1 PRO 146 HA -0.02 0.26 0.53 -0.51 4.44 4.69 2g59A1 PRO 146 HB2 -0.03 -0.05 0.02 -0.04 2.28 2.17 2g59A1 PRO 146 HB3 -0.03 0.03 -0.07 -0.04 2.02 1.90 2g59A1 PRO 146 HG2 -0.01 -0.01 0.05 -0.04 2.03 2.02 2g59A1 PRO 146 HG3 -0.01 0.07 0.06 -0.04 2.03 2.12 2g59A1 PRO 146 HD2 -0.01 0.02 0.20 -0.04 3.68 3.85 2g59A1 PRO 146 HD3 0.00 0.23 0.33 -0.04 3.65 4.17 2g59A1 ILE 147 H -0.08 0.66 0.41 -0.55 8.25 8.68 2g59A1 ILE 147 HA -0.16 0.13 0.97 -0.75 4.18 4.37 2g59A1 ILE 147 HB -0.21 0.01 0.11 -0.04 1.89 1.76 2g59A1 ILE 147 HG12 -0.02 0.24 -0.11 -0.04 1.49 1.57 2g59A1 ILE 147 HG13 -0.00 -0.10 -0.01 -0.04 1.21 1.05 2g59A1 ILE 147 HG23 -0.67 -0.00 -0.18 -0.04 0.93 0.04 2g59A1 ILE 147 HD13 -0.05 0.01 -0.05 -0.04 0.88 0.75 2g59A1 ALA 148 H -0.23 0.15 0.13 -0.55 8.40 7.90 2g59A1 ALA 148 HA -0.15 0.17 0.78 -0.75 4.34 4.39 2g59A1 ALA 148 HB3 -0.08 0.02 0.01 -0.04 1.41 1.32 2g59A1 TYR 149 H 0.00 1.03 0.26 -0.55 8.29 9.03 2g59A1 TYR 149 HA 0.05 0.06 0.79 -0.75 4.56 4.70 2g59A1 TYR 149 HB2 -0.08 0.07 0.20 -0.04 3.06 3.21 2g59A1 TYR 149 HB3 0.23 -0.09 0.02 -0.04 2.98 3.09 2g59A1 TYR 149 HD2 -0.19 -0.02 -0.05 -0.04 7.15 6.85 2g59A1 TYR 149 HE2 -0.10 -0.05 -0.07 -0.04 6.85 6.59 2g59A1 GLY 150 H 0.07 0.17 0.00 -0.55 8.43 8.13 2g59A1 GLY 150 HA2 0.06 0.03 0.31 -0.51 4.01 3.91 2g59A1 GLY 150 HA3 0.09 0.05 0.52 -0.51 4.01 4.16 2g59A1 ASP 151 H 0.06 0.14 0.17 -0.55 8.40 8.22 2g59A1 ASP 151 HA 0.10 0.13 0.56 -0.75 4.63 4.66 2g59A1 ASP 151 HB2 0.05 0.04 0.08 -0.04 2.71 2.83 2g59A1 ASP 151 HB3 0.35 -0.02 0.18 -0.04 2.70 3.17 2g59A1 ILE 152 H 0.09 0.45 -0.44 -0.55 8.25 7.79 2g59A1 ILE 152 HA 0.11 0.32 1.06 -0.75 4.18 4.91 2g59A1 ILE 152 HB 0.10 0.07 0.08 -0.04 1.89 2.10 2g59A1 ILE 152 HG12 0.05 0.06 -0.17 -0.04 1.49 1.39 2g59A1 ILE 152 HG13 -0.00 -0.17 -0.26 -0.04 1.21 0.73 2g59A1 ILE 152 HG23 -0.01 -0.00 -0.25 -0.04 0.93 0.63 2g59A1 ILE 152 HD13 0.04 0.01 -0.22 -0.04 0.88 0.67 2g59A1 THR 153 H 0.01 0.63 0.34 -0.55 8.28 8.72 2g59A1 THR 153 HA -0.08 0.21 0.99 -0.75 4.39 4.76 2g59A1 THR 153 HB -0.02 -0.00 0.11 -0.04 4.32 4.37 2g59A1 THR 153 HG23 -0.06 -0.01 -0.30 -0.04 1.22 0.82 2g59A1 VAL 154 H -0.13 0.74 0.39 -0.55 8.24 8.69 2g59A1 VAL 154 HA -0.22 0.26 1.11 -0.75 4.13 4.53 2g59A1 VAL 154 HB -0.21 -0.00 0.14 -0.04 2.12 2.01 2g59A1 VAL 154 HG13 -0.64 -0.02 -0.20 -0.04 0.97 0.07 2g59A1 VAL 154 HG23 -1.45 0.01 -0.17 -0.04 0.95 -0.70 2g59A1 GLU 155 H -0.03 0.65 0.33 -0.55 8.60 9.01 2g59A1 GLU 155 HA 0.03 0.15 0.90 -0.75 4.29 4.62 2g59A1 GLU 155 HB2 -0.01 -0.03 -0.07 -0.04 2.09 1.93 2g59A1 GLU 155 HB3 -0.00 -0.01 0.17 -0.04 1.99 2.11 2g59A1 GLU 155 HG2 0.01 -0.01 -0.38 -0.04 2.34 1.92 2g59A1 GLU 155 HG3 0.02 0.18 -0.03 -0.04 2.34 2.46 2g59A1 MET 156 H 0.16 0.25 0.00 -0.55 8.47 8.33 2g59A1 MET 156 HA 0.33 0.14 0.75 -0.75 4.52 4.99 2g59A1 MET 156 HB2 0.55 -0.02 0.01 -0.04 2.15 2.64 2g59A1 MET 156 HB3 0.21 0.14 0.12 -0.04 2.03 2.46 2g59A1 MET 156 HG2 0.06 -0.10 -0.31 -0.04 2.63 2.25 2g59A1 MET 156 HG3 -0.12 0.03 -0.06 -0.04 2.56 2.37 2g59A1 MET 156 HE3 0.25 0.00 -0.33 -0.04 2.10 1.98 2g59A1 ILE 157 H -0.08 0.43 0.38 -0.55 8.25 8.43 2g59A1 ILE 157 HA -0.06 0.02 0.40 -0.75 4.18 3.78 2g59A1 ILE 157 HB -0.53 -0.01 0.06 -0.04 1.89 1.37 2g59A1 ILE 157 HG12 -0.29 0.11 0.03 -0.04 1.49 1.29 2g59A1 ILE 157 HG13 -0.55 -0.03 -0.07 -0.04 1.21 0.52 2g59A1 ILE 157 HG23 -0.15 -0.02 -0.05 -0.04 0.93 0.67 2g59A1 ILE 157 HD13 -0.09 -0.02 -0.07 -0.04 0.88 0.66 2g59A1 SER 158 H -0.08 0.32 0.10 -0.55 8.46 8.25 2g59A1 SER 158 HA 0.01 0.16 0.58 -0.75 4.49 4.48 2g59A1 SER 158 HB2 0.02 -0.04 0.05 -0.04 3.95 3.95 2g59A1 SER 158 HB3 0.02 0.12 -0.14 -0.04 3.93 3.88 2g59A1 GLU 159 H 0.02 0.21 0.05 -0.55 8.60 8.33 2g59A1 GLU 159 HA -0.02 0.20 0.86 -0.75 4.29 4.57 2g59A1 GLU 159 HB2 0.05 0.09 -0.25 -0.04 2.09 1.94 2g59A1 GLU 159 HB3 0.06 -0.03 0.10 -0.04 1.99 2.08 2g59A1 GLU 159 HG2 0.08 -0.07 -0.21 -0.04 2.34 2.10 2g59A1 GLU 159 HG3 0.07 0.02 -0.08 -0.04 2.34 2.30 2g59A1 GLU 160 H 0.03 0.75 0.27 -0.55 8.60 9.11 2g59A1 GLU 160 HA 0.05 0.15 1.02 -0.75 4.29 4.75 2g59A1 GLU 160 HB2 0.09 -0.00 0.21 -0.04 2.09 2.35 2g59A1 GLU 160 HB3 0.08 0.03 0.03 -0.04 1.99 2.09 2g59A1 GLU 160 HG2 0.05 0.04 -0.02 -0.04 2.34 2.36 2g59A1 GLU 160 HG3 0.04 -0.10 -0.18 -0.04 2.34 2.06 2g59A1 GLU 161 H 0.05 0.20 0.18 -0.55 8.60 8.48 2g59A1 GLU 161 HA 0.08 0.16 1.09 -0.75 4.29 4.86 2g59A1 GLU 161 HB2 0.04 -0.02 0.08 -0.04 2.09 2.15 2g59A1 GLU 161 HB3 0.03 0.08 0.01 -0.04 1.99 2.06 2g59A1 GLU 161 HG2 0.09 0.01 -0.08 -0.04 2.34 2.32 2g59A1 GLU 161 HG3 0.08 -0.04 -0.23 -0.04 2.34 2.11 2g59A1 GLN 162 H -0.06 0.61 0.35 -0.55 8.47 8.82 2g59A1 GLN 162 HA -0.12 0.15 0.73 -0.75 4.36 4.37 2g59A1 GLN 162 HB2 -0.61 0.04 0.06 -0.04 2.15 1.60 2g59A1 GLN 162 HB3 -0.41 -0.16 0.17 -0.04 2.02 1.58 2g59A1 GLN 162 HG2 -0.07 0.12 -0.05 -0.04 2.40 2.35 2g59A1 GLN 162 HG3 -0.02 0.02 -0.42 -0.04 2.39 1.92 2g59A1 GLN 162 HE21 0.28 0.00 -0.07 -0.04 6.97 7.14 2g59A1 GLN 162 HE22 0.28 0.03 -0.13 -0.04 7.69 7.83 2g59A1 ASP 163 H -0.25 0.14 0.15 -0.55 8.40 7.89 2g59A1 ASP 163 HA -0.13 0.11 0.38 -0.75 4.63 4.23 2g59A1 ASP 163 HB2 -0.23 -0.05 0.18 -0.04 2.71 2.56 2g59A1 ASP 163 HB3 -0.16 0.04 -0.02 -0.04 2.70 2.52 2g59A1 ASP 164 H -0.54 0.04 -0.05 -0.55 8.40 7.31 2g59A1 ASP 164 HA -0.26 0.28 0.91 -0.75 4.63 4.80 2g59A1 ASP 164 HB2 -0.27 0.02 0.01 -0.04 2.71 2.42 2g59A1 ASP 164 HB3 -0.30 -0.06 0.09 -0.04 2.70 2.40 2g59A1 TRP 165 H -0.40 0.16 -0.18 -0.55 7.97 7.00 2g59A1 TRP 165 HA -0.08 0.19 0.65 -0.75 4.62 4.63 2g59A1 TRP 165 HB2 0.28 0.09 -0.06 -0.04 3.23 3.51 2g59A1 TRP 165 HB3 -0.02 0.01 -0.18 -0.04 3.23 3.00 2g59A1 TRP 165 HD1 0.23 0.06 -0.54 -0.04 7.22 6.93 2g59A1 TRP 165 HE1 0.17 0.04 -0.15 -0.04 10.20 10.22 2g59A1 TRP 165 HE3 0.30 0.01 -0.25 -0.04 7.59 7.61 2g59A1 TRP 165 HZ2 0.13 0.05 -0.10 -0.04 7.44 7.47 2g59A1 TRP 165 HZ3 0.29 0.10 -0.04 -0.04 7.13 7.44 2g59A1 TRP 165 HH2 0.15 0.01 -0.10 -0.04 7.19 7.22 2g59A1 ALA 166 H 0.37 0.58 0.34 -0.55 8.40 9.14 2g59A1 ALA 166 HA 0.23 0.25 1.09 -0.75 4.34 5.15 2g59A1 ALA 166 HB3 0.12 -0.00 -0.01 -0.04 1.41 1.47 2g59A1 CYS 167 H 0.16 0.76 0.35 -0.55 8.50 9.22 2g59A1 CYS 167 HA -0.05 0.28 1.07 -0.75 4.58 5.14 2g59A1 CYS 167 HB2 0.12 -0.05 0.15 -0.04 2.97 3.14 2g59A1 CYS 167 HB3 -0.02 0.03 -0.01 -0.04 2.97 2.92 2g59A1 ARG 168 H -0.28 0.72 0.36 -0.55 8.46 8.71 2g59A1 ARG 168 HA -0.22 0.22 1.07 -0.75 4.34 4.67 2g59A1 ARG 168 HB2 -0.73 -0.03 0.12 -0.04 1.90 1.22 2g59A1 ARG 168 HB3 -0.84 0.08 0.01 -0.04 1.80 1.01 2g59A1 ARG 168 HG2 -0.13 0.01 -0.06 -0.04 1.67 1.45 2g59A1 ARG 168 HG3 -0.16 -0.09 -0.36 -0.04 1.67 1.01 2g59A1 ARG 168 HD2 -0.85 -0.04 -0.11 -0.04 3.22 2.18 2g59A1 ARG 168 HD3 -0.27 0.07 -0.09 -0.04 3.22 2.89 2g59A1 HIS 169 H -0.15 0.32 0.22 -0.55 8.41 8.26 2g59A1 HIS 169 HA -0.23 0.21 0.94 -0.75 4.63 4.81 2g59A1 HIS 169 HB2 -0.11 -0.00 0.02 -0.04 3.26 3.13 2g59A1 HIS 169 HB3 -0.09 -0.12 0.18 -0.04 3.20 3.12 2g59A1 HIS 169 HD2 0.00 0.23 -0.05 -0.04 6.97 7.11 2g59A1 HIS 169 HE1 0.01 -0.01 -0.05 -0.04 7.75 7.65 2g59A1 PHE 170 H 0.20 0.89 0.44 -0.55 8.34 9.32 2g59A1 PHE 170 HA 0.00 0.21 1.14 -0.75 4.62 5.21 2g59A1 PHE 170 HB2 0.16 0.06 0.09 -0.04 3.15 3.42 2g59A1 PHE 170 HB3 0.03 -0.02 -0.08 -0.04 3.06 2.95 2g59A1 PHE 170 HD2 0.14 0.03 -0.20 -0.04 7.28 7.20 2g59A1 PHE 170 HE2 -0.23 0.01 -0.12 -0.04 7.38 7.00 2g59A1 PHE 170 HZ -0.86 -0.01 -0.12 -0.04 7.32 6.30 2g59A1 ARG 171 H 0.11 0.61 0.40 -0.55 8.46 9.03 2g59A1 ARG 171 HA 0.11 0.23 0.98 -0.75 4.34 4.90 2g59A1 ARG 171 HB2 -0.02 0.00 0.21 -0.04 1.90 2.05 2g59A1 ARG 171 HB3 0.01 0.00 0.01 -0.04 1.80 1.78 2g59A1 ARG 171 HG2 0.08 0.06 0.02 -0.04 1.67 1.79 2g59A1 ARG 171 HG3 -0.18 -0.05 -0.08 -0.04 1.67 1.32 2g59A1 ARG 171 HD2 -0.03 -0.02 -0.03 -0.04 3.22 3.10 2g59A1 ARG 171 HD3 0.02 0.01 -0.05 -0.04 3.22 3.16 2g59A1 ILE 172 H 0.07 0.80 0.38 -0.55 8.25 8.95 2g59A1 ILE 172 HA -0.06 0.37 1.27 -0.75 4.18 5.00 2g59A1 ILE 172 HB -0.10 0.00 -0.01 -0.04 1.89 1.75 2g59A1 ILE 172 HG12 0.09 0.18 0.06 -0.04 1.49 1.78 2g59A1 ILE 172 HG13 0.06 -0.02 -0.26 -0.04 1.21 0.95 2g59A1 ILE 172 HG23 -0.11 -0.03 -0.23 -0.04 0.93 0.52 2g59A1 ILE 172 HD13 0.17 0.01 -0.19 -0.04 0.88 0.83 2g59A1 ASN 173 H -0.01 0.52 0.38 -0.55 8.53 8.87 2g59A1 ASN 173 HA 0.06 0.38 0.89 -0.75 4.76 5.34 2g59A1 ASN 173 HB2 0.02 0.11 -0.26 -0.04 2.88 2.72 2g59A1 ASN 173 HB3 0.02 -0.06 -0.30 -0.04 2.79 2.41 2g59A1 ASN 173 HD21 -0.01 -0.12 -0.10 -0.04 7.03 6.77 2g59A1 ASN 173 HD22 -0.01 0.47 -0.16 -0.04 7.74 8.00 2g59A1 TYR 174 H 0.13 0.76 0.11 -0.55 8.29 8.73 2g59A1 TYR 174 HA 0.00 0.25 0.90 -0.75 4.56 4.96 2g59A1 TYR 174 HB2 0.02 0.02 -0.01 -0.04 3.06 3.05 2g59A1 TYR 174 HB3 0.02 0.02 0.20 -0.04 2.98 3.18 2g59A1 TYR 174 HD2 0.01 0.19 0.07 -0.04 7.15 7.39 2g59A1 TYR 174 HE2 0.01 -0.03 0.01 -0.04 6.85 6.81 2g59A1 ALA 175 H -0.07 0.20 0.04 -0.55 8.40 8.02 2g59A1 ALA 175 HA -0.12 0.03 0.31 -0.75 4.34 3.81 2g59A1 ALA 175 HB3 -0.35 0.06 0.13 -0.04 1.41 1.21 2g59A1 ASP 176 H -0.12 0.10 0.22 -0.55 8.40 8.06 2g59A1 ASP 176 HA -0.03 0.16 0.57 -0.75 4.63 4.58 2g59A1 ASP 176 HB2 -0.04 -0.00 0.11 -0.04 2.71 2.74 2g59A1 ASP 176 HB3 -0.02 0.01 0.15 -0.04 2.70 2.81 2g59A1 GLU 177 H -0.02 0.59 -0.20 -0.55 8.60 8.42 2g59A1 GLU 177 HA 0.04 0.11 0.73 -0.75 4.29 4.41 2g59A1 GLU 177 HB2 0.10 -0.04 0.15 -0.04 2.09 2.26 2g59A1 GLU 177 HB3 0.16 -0.08 0.22 -0.04 1.99 2.24 2g59A1 GLU 177 HG2 0.07 0.12 -0.04 -0.04 2.34 2.45 2g59A1 GLU 177 HG3 0.07 -0.04 0.03 -0.04 2.34 2.36 2g59A1 MET 178 H 0.03 0.22 0.21 -0.55 8.47 8.39 2g59A1 MET 178 HA 0.05 0.30 1.11 -0.75 4.52 5.22 2g59A1 MET 178 HB2 0.02 -0.02 -0.11 -0.04 2.15 2.00 2g59A1 MET 178 HB3 0.03 -0.03 0.02 -0.04 2.03 2.01 2g59A1 MET 178 HG2 0.04 -0.04 -0.11 -0.04 2.63 2.48 2g59A1 MET 178 HG3 0.03 0.14 -0.09 -0.04 2.56 2.60 2g59A1 MET 178 HE3 0.00 0.00 -0.18 -0.04 2.10 1.88 2g59A1 GLN 179 H 0.06 0.60 0.37 -0.55 8.47 8.96 2g59A1 GLN 179 HA 0.06 0.06 0.73 -0.75 4.36 4.45 2g59A1 GLN 179 HB2 0.06 0.07 -0.28 -0.04 2.15 1.95 2g59A1 GLN 179 HB3 0.08 -0.06 -0.07 -0.04 2.02 1.94 2g59A1 GLN 179 HG2 0.09 0.05 -0.36 -0.04 2.40 2.14 2g59A1 GLN 179 HG3 0.06 -0.02 0.01 -0.04 2.39 2.39 2g59A1 GLN 179 HE21 0.05 0.06 -0.09 -0.04 6.97 6.95 2g59A1 GLN 179 HE22 0.09 0.05 -0.15 -0.04 7.69 7.64 2g59A1 ASP 180 H 0.08 0.18 0.19 -0.55 8.40 8.30 2g59A1 ASP 180 HA 0.20 0.21 1.00 -0.75 4.63 5.28 2g59A1 ASP 180 HB2 0.07 0.00 0.19 -0.04 2.71 2.93 2g59A1 ASP 180 HB3 0.07 0.01 0.02 -0.04 2.70 2.76 2g59A1 VAL 181 H 0.25 0.76 0.38 -0.55 8.24 9.09 2g59A1 VAL 181 HA 0.10 0.28 0.98 -0.75 4.13 4.74 2g59A1 VAL 181 HB 0.39 -0.13 -0.01 -0.04 2.12 2.34 2g59A1 VAL 181 HG13 0.27 -0.03 -0.42 -0.04 0.97 0.74 2g59A1 VAL 181 HG23 0.19 0.07 -0.30 -0.04 0.95 0.87 2g59A1 MET 182 H 0.01 0.80 0.26 -0.55 8.47 8.98 2g59A1 MET 182 HA -0.23 0.12 0.94 -0.75 4.52 4.59 2g59A1 MET 182 HB2 -0.08 0.14 0.26 -0.04 2.15 2.43 2g59A1 MET 182 HB3 -0.68 -0.07 -0.01 -0.04 2.03 1.23 2g59A1 MET 182 HG2 -0.18 0.05 -0.03 -0.04 2.63 2.43 2g59A1 MET 182 HG3 -0.09 -0.01 -0.01 -0.04 2.56 2.41 2g59A1 MET 182 HE3 -0.32 -0.01 -0.15 -0.04 2.10 1.58 2g59A1 HIS 183 H -0.35 0.71 0.37 -0.55 8.41 8.60 2g59A1 HIS 183 HA -0.13 0.23 0.99 -0.75 4.63 4.97 2g59A1 HIS 183 HB2 0.15 0.02 -0.11 -0.04 3.26 3.28 2g59A1 HIS 183 HB3 -0.45 -0.00 0.21 -0.04 3.20 2.91 2g59A1 HIS 183 HD2 0.24 0.02 -0.15 -0.04 6.97 7.04 2g59A1 HIS 183 HE1 -0.79 -0.03 -0.15 -0.04 7.75 6.74 2g59A1 PHE 184 H -0.18 0.80 0.38 -0.55 8.34 8.78 2g59A1 PHE 184 HA 0.02 0.25 1.05 -0.75 4.62 5.18 2g59A1 PHE 184 HB2 -0.16 -0.01 0.23 -0.04 3.15 3.17 2g59A1 PHE 184 HB3 -0.11 -0.05 0.00 -0.04 3.06 2.86 2g59A1 PHE 184 HD2 -0.14 0.04 -0.07 -0.04 7.28 7.07 2g59A1 PHE 184 HE2 -0.10 0.03 -0.08 -0.04 7.38 7.19 2g59A1 PHE 184 HZ -0.11 0.03 -0.06 -0.04 7.32 7.14 2g59A1 ASN 185 H 0.18 0.72 0.32 -0.55 8.53 9.21 2g59A1 ASN 185 HA -0.02 0.30 1.10 -0.75 4.76 5.38 2g59A1 ASN 185 HB2 -0.00 -0.01 -0.05 -0.04 2.88 2.78 2g59A1 ASN 185 HB3 0.08 -0.06 0.17 -0.04 2.79 2.94 2g59A1 ASN 185 HD21 0.17 -0.03 -0.08 -0.04 7.03 7.04 2g59A1 ASN 185 HD22 0.14 -0.04 -0.06 -0.04 7.74 7.74 2g59A1 TYR 186 H 0.01 0.57 0.31 -0.55 8.29 8.63 2g59A1 TYR 186 HA -0.10 0.10 0.78 -0.75 4.56 4.58 2g59A1 TYR 186 HB2 -1.40 0.00 0.06 -0.04 3.06 1.69 2g59A1 TYR 186 HB3 -0.24 -0.03 0.17 -0.04 2.98 2.84 2g59A1 TYR 186 HD2 -0.32 0.01 -0.13 -0.04 7.15 6.66 2g59A1 TYR 186 HE2 0.20 0.07 -0.33 -0.04 6.85 6.75 2g59A1 THR 187 H -0.30 0.57 0.21 -0.55 8.28 8.22 2g59A1 THR 187 HA -0.00 0.19 0.65 -0.75 4.39 4.47 2g59A1 THR 187 HB -0.01 -0.05 0.05 -0.04 4.32 4.27 2g59A1 THR 187 HG23 0.05 0.03 -0.20 -0.04 1.22 1.06 2g59A1 ALA 188 H -0.79 0.14 -0.07 -0.55 8.40 7.14 2g59A1 ALA 188 HA -0.04 0.25 0.89 -0.75 4.34 4.68 2g59A1 ALA 188 HB3 -0.20 0.01 0.15 -0.04 1.41 1.33 2g59A1 TRP 189 H 0.28 0.22 -0.51 -0.55 7.97 7.42 2g59A1 TRP 189 HA 0.07 0.20 0.81 -0.75 4.62 4.95 2g59A1 TRP 189 HB2 0.30 -0.09 -0.10 -0.04 3.23 3.30 2g59A1 TRP 189 HB3 0.08 0.23 0.15 -0.04 3.23 3.65 2g59A1 TRP 189 HD1 -0.04 0.22 -0.50 -0.04 7.22 6.85 2g59A1 TRP 189 HE1 -0.11 0.51 0.16 -0.04 10.20 10.72 2g59A1 TRP 189 HE3 -0.24 0.02 -0.02 -0.04 7.59 7.31 2g59A1 TRP 189 HZ2 0.03 -0.02 0.03 -0.04 7.44 7.44 2g59A1 TRP 189 HZ3 0.09 0.02 -0.04 -0.04 7.13 7.16 2g59A1 TRP 189 HH2 0.14 -0.02 -0.15 -0.04 7.19 7.13 2g59A1 PRO 190 HA 0.09 -0.01 0.44 -0.51 4.44 4.45 2g59A1 PRO 190 HB2 0.08 0.08 -0.07 -0.04 2.28 2.33 2g59A1 PRO 190 HB3 0.07 0.03 0.02 -0.04 2.02 2.10 2g59A1 PRO 190 HG2 0.13 -0.16 -0.11 -0.04 2.03 1.84 2g59A1 PRO 190 HG3 0.05 0.11 -0.04 -0.04 2.03 2.11 2g59A1 PRO 190 HD2 0.12 0.09 -0.19 -0.04 3.68 3.66 2g59A1 PRO 190 HD3 0.09 0.23 -0.17 -0.04 3.65 3.75 2g59A1 ASP 191 H -0.01 0.11 0.16 -0.55 8.40 8.10 2g59A1 ASP 191 HA -0.22 -0.07 0.45 -0.75 4.63 4.03 2g59A1 ASP 191 HB2 -0.15 0.05 0.17 -0.04 2.71 2.73 2g59A1 ASP 191 HB3 -0.21 0.07 0.07 -0.04 2.70 2.59 2g59A1 HIS 192 H -0.25 -0.03 0.21 -0.55 8.41 7.80 2g59A1 HIS 192 HA 0.01 -0.10 0.36 -0.75 4.63 4.14 2g59A1 HIS 192 HB2 0.01 0.22 0.07 -0.04 3.26 3.53 2g59A1 HIS 192 HB3 0.00 -0.02 0.16 -0.04 3.20 3.30 2g59A1 HIS 192 HD2 -0.00 0.10 -0.16 -0.04 6.97 6.86 2g59A1 HIS 192 HE1 -0.14 0.00 0.02 -0.04 7.75 7.58 2g59A1 GLY 193 H 0.13 0.34 -0.43 -0.55 8.43 7.93 2g59A1 GLY 193 HA2 0.09 0.11 0.82 -0.51 4.01 4.52 2g59A1 GLY 193 HA3 0.11 0.08 0.18 -0.51 4.01 3.87 2g59A1 VAL 194 H -0.03 0.23 0.09 -0.55 8.24 7.99 2g59A1 VAL 194 HA -0.40 0.19 0.83 -0.75 4.13 3.99 2g59A1 VAL 194 HB -0.24 -0.00 0.02 -0.04 2.12 1.85 2g59A1 VAL 194 HG13 -0.96 -0.07 -0.17 -0.04 0.97 -0.27 2g59A1 VAL 194 HG23 -0.34 -0.00 -0.21 -0.04 0.95 0.36 2g59A1 PRO 195 HA -0.22 0.39 0.55 -0.51 4.44 4.65 2g59A1 PRO 195 HB2 -0.35 -0.04 -0.08 -0.04 2.28 1.76 2g59A1 PRO 195 HB3 -0.13 0.01 0.07 -0.04 2.02 1.93 2g59A1 PRO 195 HG2 -1.11 -0.01 0.04 -0.04 2.03 0.91 2g59A1 PRO 195 HG3 -1.46 0.06 0.04 -0.04 2.03 0.62 2g59A1 PRO 195 HD2 -1.75 0.06 0.13 -0.04 3.68 2.08 2g59A1 PRO 195 HD3 -2.49 0.15 0.18 -0.04 3.65 1.44 2g59A1 THR 196 H -0.31 -0.03 -0.73 -0.55 8.28 6.66 2g59A1 THR 196 HA -0.07 -0.01 0.33 -0.75 4.39 3.89 2g59A1 THR 196 HB -0.07 0.17 -0.10 -0.04 4.32 4.28 2g59A1 THR 196 HG23 -0.03 -0.01 0.08 -0.04 1.22 1.22 2g59A1 ALA 200 HA 0.15 -0.01 0.20 -0.75 4.34 3.93 2g59A1 ALA 200 HB3 0.01 0.02 0.01 -0.04 1.41 1.41 2g59A1 GLU 201 H 0.05 0.21 0.10 -0.55 8.60 8.41 2g59A1 GLU 201 HA 0.04 0.11 0.38 -0.75 4.29 4.07 2g59A1 GLU 201 HB2 0.06 -0.04 0.09 -0.04 2.09 2.16 2g59A1 GLU 201 HB3 0.05 0.06 0.03 -0.04 1.99 2.09 2g59A1 GLU 201 HG2 0.02 0.05 0.03 -0.04 2.34 2.40 2g59A1 GLU 201 HG3 0.03 -0.03 0.10 -0.04 2.34 2.40 2g59A1 SER 202 H 0.11 0.14 -0.10 -0.55 8.46 8.07 2g59A1 SER 202 HA 0.31 0.10 0.37 -0.75 4.49 4.51 2g59A1 SER 202 HB2 0.15 0.04 0.06 -0.04 3.95 4.16 2g59A1 SER 202 HB3 0.21 -0.01 0.08 -0.04 3.93 4.18 2g59A1 ILE 203 H 0.11 0.14 -0.17 -0.55 8.25 7.77 2g59A1 ILE 203 HA -0.11 0.05 0.36 -0.75 4.18 3.73 2g59A1 ILE 203 HB -0.32 -0.00 0.07 -0.04 1.89 1.59 2g59A1 ILE 203 HG12 -0.30 0.01 -0.04 -0.04 1.49 1.12 2g59A1 ILE 203 HG13 0.02 0.00 -0.14 -0.04 1.21 1.05 2g59A1 ILE 203 HG23 0.06 0.02 -0.04 -0.04 0.93 0.93 2g59A1 ILE 203 HD13 -0.43 -0.00 0.01 -0.04 0.88 0.42 2g59A1 LEU 204 H 0.06 0.58 -0.29 -0.55 8.37 8.17 2g59A1 LEU 204 HA -0.00 0.01 0.41 -0.75 4.35 4.01 2g59A1 LEU 204 HB2 0.02 0.20 0.16 -0.04 1.64 1.97 2g59A1 LEU 204 HB3 -0.01 0.00 -0.05 -0.04 1.64 1.54 2g59A1 LEU 204 HG -0.06 -0.00 -0.01 -0.04 1.64 1.53 2g59A1 LEU 204 HD13 -0.09 0.01 -0.04 -0.04 0.93 0.77 2g59A1 LEU 204 HD23 -0.05 0.00 -0.10 -0.04 0.89 0.70 2g59A1 GLN 205 H 0.14 0.47 -0.18 -0.55 8.47 8.36 2g59A1 GLN 205 HA 0.06 0.06 0.43 -0.75 4.36 4.15 2g59A1 GLN 205 HB2 0.39 0.11 0.14 -0.04 2.15 2.74 2g59A1 GLN 205 HB3 0.28 -0.04 -0.01 -0.04 2.02 2.21 2g59A1 GLN 205 HG2 0.07 -0.01 0.02 -0.04 2.40 2.43 2g59A1 GLN 205 HG3 0.12 0.22 0.09 -0.04 2.39 2.79 2g59A1 GLN 205 HE21 0.11 -0.04 -0.06 -0.04 6.97 6.94 2g59A1 GLN 205 HE22 0.13 0.02 -0.16 -0.04 7.69 7.63 2g59A1 PHE 206 H 0.13 0.39 -0.27 -0.55 8.34 8.04 2g59A1 PHE 206 HA -0.99 0.01 0.36 -0.75 4.62 3.24 2g59A1 PHE 206 HB2 -0.20 -0.00 0.05 -0.04 3.15 2.96 2g59A1 PHE 206 HB3 -0.16 0.18 0.18 -0.04 3.06 3.22 2g59A1 PHE 206 HD2 -0.63 0.00 -0.12 -0.04 7.28 6.50 2g59A1 PHE 206 HE2 -0.23 -0.00 -0.19 -0.04 7.38 6.92 2g59A1 PHE 206 HZ -0.06 0.18 -0.21 -0.04 7.32 7.19 2g59A1 VAL 207 H 0.09 0.65 -0.05 -0.55 8.24 8.38 2g59A1 VAL 207 HA 0.00 -0.01 0.31 -0.75 4.13 3.67 2g59A1 VAL 207 HB -0.05 0.13 0.11 -0.04 2.12 2.26 2g59A1 VAL 207 HG13 -0.25 -0.00 -0.20 -0.04 0.97 0.49 2g59A1 VAL 207 HG23 -0.03 0.04 -0.01 -0.04 0.95 0.92 2g59A1 HIS 208 H -0.00 0.56 -0.27 -0.55 8.41 8.15 2g59A1 HIS 208 HA -0.14 0.02 0.38 -0.75 4.63 4.13 2g59A1 HIS 208 HB2 -0.08 0.03 0.10 -0.04 3.26 3.27 2g59A1 HIS 208 HB3 -0.09 0.09 0.14 -0.04 3.20 3.30 2g59A1 HIS 208 HD2 -0.07 0.01 -0.01 -0.04 6.97 6.85 2g59A1 HIS 208 HE1 -0.04 -0.01 -0.05 -0.04 7.75 7.61 2g59A1 MET 209 H -0.25 0.57 -0.22 -0.55 8.47 8.02 2g59A1 MET 209 HA -0.22 -0.00 0.42 -0.75 4.52 3.96 2g59A1 MET 209 HB2 -0.28 -0.01 0.09 -0.04 2.15 1.91 2g59A1 MET 209 HB3 -0.74 0.16 0.22 -0.04 2.03 1.62 2g59A1 MET 209 HG2 -0.73 0.00 -0.31 -0.04 2.63 1.56 2g59A1 MET 209 HG3 -0.19 -0.03 -0.02 -0.04 2.56 2.28 2g59A1 MET 209 HE3 -0.96 -0.00 -0.11 -0.04 2.10 0.99 2g59A1 VAL 210 H -0.70 0.61 -0.04 -0.55 8.24 7.57 2g59A1 VAL 210 HA -1.05 0.01 0.38 -0.75 4.13 2.71 2g59A1 VAL 210 HB -0.26 0.09 0.08 -0.04 2.12 1.99 2g59A1 VAL 210 HG13 -0.10 -0.01 -0.13 -0.04 0.97 0.70 2g59A1 VAL 210 HG23 -1.20 0.02 -0.03 -0.04 0.95 -0.30 2g59A1 ARG 211 H -0.31 0.55 -0.28 -0.55 8.46 7.86 2g59A1 ARG 211 HA -0.15 -0.00 0.37 -0.75 4.34 3.80 2g59A1 ARG 211 HB2 -0.21 0.13 0.11 -0.04 1.90 1.88 2g59A1 ARG 211 HB3 -0.34 0.11 0.08 -0.04 1.80 1.61 2g59A1 ARG 211 HG2 -0.16 -0.02 -0.04 -0.04 1.67 1.41 2g59A1 ARG 211 HG3 -0.15 -0.01 -0.05 -0.04 1.67 1.42 2g59A1 ARG 211 HD2 -0.11 -0.02 -0.00 -0.04 3.22 3.05 2g59A1 ARG 211 HD3 -0.11 0.01 -0.01 -0.04 3.22 3.07 2g59A1 GLN 212 H -0.35 0.49 -0.19 -0.55 8.47 7.88 2g59A1 GLN 212 HA -0.18 0.02 0.40 -0.75 4.36 3.84 2g59A1 GLN 212 HB2 -0.18 0.10 0.15 -0.04 2.15 2.19 2g59A1 GLN 212 HB3 -0.11 -0.06 0.01 -0.04 2.02 1.82 2g59A1 GLN 212 HG2 -0.51 0.47 0.16 -0.04 2.40 2.47 2g59A1 GLN 212 HG3 -0.14 -0.10 0.02 -0.04 2.39 2.13 2g59A1 GLN 212 HE21 -0.03 -0.02 -0.01 -0.04 6.97 6.87 2g59A1 GLN 212 HE22 -0.04 -0.02 -0.00 -0.04 7.69 7.59 2g59A1 GLN 213 H -0.19 0.41 -0.12 -0.55 8.47 8.02 2g59A1 GLN 213 HA -0.02 0.01 0.38 -0.75 4.36 3.98 2g59A1 GLN 213 HB2 0.04 -0.02 0.10 -0.04 2.15 2.23 2g59A1 GLN 213 HB3 -0.05 0.13 0.11 -0.04 2.02 2.17 2g59A1 GLN 213 HG2 0.39 -0.05 -0.01 -0.04 2.40 2.69 2g59A1 GLN 213 HG3 0.10 0.04 -0.14 -0.04 2.39 2.35 2g59A1 GLN 213 HE21 -0.02 -0.02 -0.02 -0.04 6.97 6.87 2g59A1 GLN 213 HE22 0.01 0.06 -0.03 -0.04 7.69 7.69 2g59A1 ALA 214 H -0.11 0.48 -0.28 -0.55 8.40 7.95 2g59A1 ALA 214 HA -0.02 0.00 0.35 -0.75 4.34 3.91 2g59A1 ALA 214 HB3 -0.06 0.04 0.07 -0.04 1.41 1.41 2g59A1 THR 215 H -0.07 0.43 -0.24 -0.55 8.28 7.84 2g59A1 THR 215 HA -0.04 0.02 0.41 -0.75 4.39 4.02 2g59A1 THR 215 HB -0.04 -0.08 0.12 -0.04 4.32 4.27 2g59A1 THR 215 HG23 -0.08 0.07 0.08 -0.04 1.22 1.25 2g59A1 LYS 216 H -0.03 0.36 -0.55 -0.55 8.42 7.65 2g59A1 LYS 216 HA -0.02 0.09 0.81 -0.75 4.32 4.45 2g59A1 LYS 216 HB2 -0.01 0.14 0.09 -0.04 1.87 2.04 2g59A1 LYS 216 HB3 -0.01 -0.10 0.11 -0.04 1.79 1.75 2g59A1 LYS 216 HG2 -0.02 -0.03 -0.05 -0.04 1.46 1.31 2g59A1 LYS 216 HG3 -0.03 0.13 -0.04 -0.04 1.46 1.49 2g59A1 LYS 216 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.61 2g59A1 LYS 216 HD3 -0.01 -0.05 -0.00 -0.04 1.68 1.58 2g59A1 LYS 216 HE2 -0.01 -0.07 -0.03 -0.04 2.99 2.84 2g59A1 LYS 216 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2g59A1 SER 217 H -0.02 0.27 -0.11 -0.55 8.46 8.06 2g59A1 SER 217 HA -0.00 0.11 0.89 -0.75 4.49 4.74 2g59A1 SER 217 HB2 -0.00 0.01 0.03 -0.04 3.95 3.94 2g59A1 SER 217 HB3 0.01 -0.02 0.14 -0.04 3.93 4.01 2g59A1 LYS 218 H 0.00 0.21 0.27 -0.55 8.42 8.35 2g59A1 LYS 218 HA -0.01 0.13 0.80 -0.75 4.32 4.49 2g59A1 LYS 218 HB2 0.00 0.03 0.04 -0.04 1.87 1.90 2g59A1 LYS 218 HB3 -0.00 -0.07 0.13 -0.04 1.79 1.80 2g59A1 LYS 218 HG2 -0.01 0.00 -0.08 -0.04 1.46 1.34 2g59A1 LYS 218 HG3 -0.00 -0.01 -0.47 -0.04 1.46 0.93 2g59A1 LYS 218 HD2 0.00 -0.04 0.00 -0.04 1.69 1.62 2g59A1 LYS 218 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 2g59A1 LYS 218 HE2 0.01 0.03 0.05 -0.04 2.99 3.03 2g59A1 LYS 218 HE3 0.01 0.05 0.03 -0.04 2.99 3.05 2g59A1 GLY 219 H -0.01 -0.01 0.13 -0.55 8.43 8.00 2g59A1 GLY 219 HA2 -0.00 -0.01 0.38 -0.51 4.01 3.87 2g59A1 GLY 219 HA3 0.01 0.45 0.67 -0.51 4.01 4.63 2g59A1 PRO 220 HA -0.03 0.19 0.56 -0.51 4.44 4.65 2g59A1 PRO 220 HB2 0.06 -0.07 -0.26 -0.04 2.28 1.97 2g59A1 PRO 220 HB3 0.08 0.15 -0.01 -0.04 2.02 2.21 2g59A1 PRO 220 HG2 0.02 -0.09 -0.06 -0.04 2.03 1.86 2g59A1 PRO 220 HG3 0.09 -0.01 0.00 -0.04 2.03 2.08 2g59A1 PRO 220 HD2 0.02 0.42 0.10 -0.04 3.68 4.17 2g59A1 PRO 220 HD3 0.03 0.02 0.15 -0.04 3.65 3.81 2g59A1 MET 221 H -0.06 0.69 0.40 -0.55 8.47 8.95 2g59A1 MET 221 HA 0.04 0.13 0.82 -0.75 4.52 4.76 2g59A1 MET 221 HB2 -0.03 0.05 0.08 -0.04 2.15 2.21 2g59A1 MET 221 HB3 0.05 -0.08 0.17 -0.04 2.03 2.13 2g59A1 MET 221 HG2 0.16 0.04 -0.31 -0.04 2.63 2.48 2g59A1 MET 221 HG3 0.09 0.00 -0.07 -0.04 2.56 2.55 2g59A1 MET 221 HE3 0.02 0.01 -0.08 -0.04 2.10 2.01 2g59A1 ILE 222 H 0.05 0.49 0.32 -0.55 8.25 8.56 2g59A1 ILE 222 HA 0.06 0.15 0.74 -0.75 4.18 4.37 2g59A1 ILE 222 HB 0.05 -0.02 0.19 -0.04 1.89 2.07 2g59A1 ILE 222 HG12 -0.07 0.00 -0.11 -0.04 1.49 1.27 2g59A1 ILE 222 HG13 -0.03 0.10 -0.07 -0.04 1.21 1.17 2g59A1 ILE 222 HG23 0.12 -0.02 -0.21 -0.04 0.93 0.77 2g59A1 ILE 222 HD13 -0.28 -0.00 -0.12 -0.04 0.88 0.43 2g59A1 ILE 223 H 0.08 0.96 0.49 -0.55 8.25 9.23 2g59A1 ILE 223 HA -0.03 0.16 1.14 -0.75 4.18 4.71 2g59A1 ILE 223 HB 0.04 -0.03 0.13 -0.04 1.89 1.99 2g59A1 ILE 223 HG12 0.25 0.18 -0.13 -0.04 1.49 1.75 2g59A1 ILE 223 HG13 0.16 -0.06 -0.08 -0.04 1.21 1.19 2g59A1 ILE 223 HG23 -0.08 -0.04 -0.05 -0.04 0.93 0.73 2g59A1 ILE 223 HD13 0.20 0.03 -0.28 -0.04 0.88 0.79 2g59A1 HIS 224 H -0.20 0.81 0.42 -0.55 8.41 8.90 2g59A1 HIS 224 HA -0.07 0.08 0.71 -0.75 4.63 4.59 2g59A1 HIS 224 HB2 -0.09 0.21 -0.22 -0.04 3.26 3.12 2g59A1 HIS 224 HB3 -0.05 -0.00 -0.35 -0.04 3.20 2.75 2g59A1 HIS 224 HD2 -0.02 0.00 -0.21 -0.04 6.97 6.69 2g59A1 HIS 224 HE1 0.19 -0.02 -0.09 -0.04 7.75 7.79 2g59A1 CYS 225 H 0.03 0.14 -0.04 -0.55 8.50 8.09 2g59A1 CYS 225 HA -0.16 0.12 0.66 -0.75 4.58 4.44 2g59A1 CYS 225 HB2 -0.17 -0.00 0.17 -0.04 2.97 2.93 2g59A1 CYS 225 HB3 -0.27 0.12 -0.05 -0.04 2.97 2.73 2g59A1 SER 226 H -0.05 -0.10 0.19 -0.55 8.46 7.96 2g59A1 SER 226 HA 0.06 0.47 0.90 -0.75 4.49 5.17 2g59A1 SER 226 HB2 0.02 0.01 0.13 -0.04 3.95 4.07 2g59A1 SER 226 HB3 0.03 -0.27 0.29 -0.04 3.93 3.93 2g59A1 ALA 227 H 0.06 -0.08 0.25 -0.55 8.40 8.08 2g59A1 ALA 227 HA 0.25 0.27 0.68 -0.75 4.34 4.78 2g59A1 ALA 227 HB3 0.06 -0.01 0.10 -0.04 1.41 1.52 2g59A1 GLY 228 H -0.01 -0.25 -0.06 -0.55 8.43 7.57 2g59A1 GLY 228 HA2 -0.02 -0.08 0.23 -0.51 4.01 3.64 2g59A1 GLY 228 HA3 -0.01 0.36 0.12 -0.51 4.01 3.96 2g59A1 VAL 229 H -0.04 -0.30 -0.07 -0.55 8.24 7.28 2g59A1 VAL 229 HA -0.02 0.38 0.87 -0.75 4.13 4.60 2g59A1 VAL 229 HB -0.01 0.18 -0.49 -0.04 2.12 1.76 2g59A1 VAL 229 HG13 -0.03 0.06 -0.43 -0.04 0.97 0.53 2g59A1 VAL 229 HG23 -0.01 -0.06 -0.12 -0.04 0.95 0.72 2g59A1 GLY 230 H -0.05 -0.01 0.15 -0.55 8.43 7.97 2g59A1 GLY 230 HA2 0.02 -0.04 0.58 -0.51 4.01 4.06 2g59A1 GLY 230 HA3 -0.05 0.06 0.47 -0.51 4.01 3.99 2g59A1 ARG 231 H -0.31 0.06 0.15 -0.55 8.46 7.81 2g59A1 ARG 231 HA -0.88 0.16 0.50 -0.75 4.34 3.37 2g59A1 ARG 231 HB2 -0.61 -0.14 0.10 -0.04 1.90 1.22 2g59A1 ARG 231 HB3 -1.41 0.14 0.02 -0.04 1.80 0.51 2g59A1 ARG 231 HG2 -2.73 0.12 -0.00 -0.04 1.67 -0.99 2g59A1 ARG 231 HG3 -0.65 -0.21 0.06 -0.04 1.67 0.83 2g59A1 ARG 231 HD2 -0.59 0.41 0.03 -0.04 3.22 3.03 2g59A1 ARG 231 HD3 -0.37 0.18 -0.43 -0.04 3.22 2.57 2g59A1 THR 232 H -0.22 -0.11 -0.36 -0.55 8.28 7.03 2g59A1 THR 232 HA -0.12 0.13 0.19 -0.75 4.39 3.83 2g59A1 THR 232 HB -0.07 -0.16 -0.54 -0.04 4.32 3.51 2g59A1 THR 232 HG23 -0.02 0.08 -0.27 -0.04 1.22 0.96 2g59A1 GLY 233 H -0.05 0.16 -0.65 -0.55 8.43 7.34 2g59A1 GLY 233 HA2 -0.00 0.13 0.33 -0.51 4.01 3.96 2g59A1 GLY 233 HA3 0.03 0.06 0.30 -0.51 4.01 3.89 2g59A1 THR 234 H 0.01 0.34 -0.23 -0.55 8.28 7.86 2g59A1 THR 234 HA 0.18 0.07 0.43 -0.75 4.39 4.31 2g59A1 THR 234 HB 0.31 0.04 0.16 -0.04 4.32 4.80 2g59A1 THR 234 HG23 0.60 -0.01 -0.05 -0.04 1.22 1.73 2g59A1 PHE 235 H 0.14 0.66 -0.10 -0.55 8.34 8.49 2g59A1 PHE 235 HA 0.23 -0.01 0.37 -0.75 4.62 4.45 2g59A1 PHE 235 HB2 0.06 -0.03 0.05 -0.04 3.15 3.19 2g59A1 PHE 235 HB3 -0.06 0.11 0.09 -0.04 3.06 3.15 2g59A1 PHE 235 HD2 0.10 0.01 -0.13 -0.04 7.28 7.22 2g59A1 PHE 235 HE2 0.07 0.02 -0.12 -0.04 7.38 7.31 2g59A1 PHE 235 HZ -0.12 0.04 -0.08 -0.04 7.32 7.12 2g59A1 ILE 236 H 0.05 0.54 -0.18 -0.55 8.25 8.11 2g59A1 ILE 236 HA -0.45 0.01 0.35 -0.75 4.18 3.34 2g59A1 ILE 236 HB -0.15 0.09 0.08 -0.04 1.89 1.87 2g59A1 ILE 236 HG12 -0.80 -0.03 -0.02 -0.04 1.49 0.59 2g59A1 ILE 236 HG13 -0.05 0.05 0.04 -0.04 1.21 1.21 2g59A1 ILE 236 HG23 -0.51 -0.00 -0.15 -0.04 0.93 0.22 2g59A1 ILE 236 HD13 -0.17 0.01 -0.11 -0.04 0.88 0.57 2g59A1 ALA 237 H -0.05 0.43 -0.36 -0.55 8.40 7.87 2g59A1 ALA 237 HA -0.06 0.03 0.34 -0.75 4.34 3.90 2g59A1 ALA 237 HB3 0.02 0.04 0.07 -0.04 1.41 1.50 2g59A1 LEU 238 H -0.08 0.54 -0.16 -0.55 8.37 8.11 2g59A1 LEU 238 HA -0.13 -0.04 0.39 -0.75 4.35 3.83 2g59A1 LEU 238 HB2 -0.11 0.15 0.22 -0.04 1.64 1.87 2g59A1 LEU 238 HB3 -0.17 -0.03 -0.05 -0.04 1.64 1.35 2g59A1 LEU 238 HG -0.09 -0.05 -0.04 -0.04 1.64 1.42 2g59A1 LEU 238 HD13 -0.11 -0.01 -0.01 -0.04 0.93 0.76 2g59A1 LEU 238 HD23 0.21 0.03 -0.12 -0.04 0.89 0.97 2g59A1 ASP 239 H -0.47 0.76 -0.02 -0.55 8.40 8.12 2g59A1 ASP 239 HA -0.27 -0.00 0.36 -0.75 4.63 3.97 2g59A1 ASP 239 HB2 -0.79 0.01 0.06 -0.04 2.71 1.95 2g59A1 ASP 239 HB3 -0.22 0.07 0.12 -0.04 2.70 2.63 2g59A1 ARG 240 H -0.11 0.69 -0.11 -0.55 8.46 8.37 2g59A1 ARG 240 HA 0.04 -0.04 0.44 -0.75 4.34 4.02 2g59A1 ARG 240 HB2 -0.02 0.13 0.14 -0.04 1.90 2.11 2g59A1 ARG 240 HB3 0.09 -0.05 -0.03 -0.04 1.80 1.76 2g59A1 ARG 240 HG2 0.25 -0.33 0.08 -0.04 1.67 1.63 2g59A1 ARG 240 HG3 0.10 0.12 0.10 -0.04 1.67 1.95 2g59A1 ARG 240 HD2 0.20 0.17 0.06 -0.04 3.22 3.61 2g59A1 ARG 240 HD3 -0.00 0.02 -0.11 -0.04 3.22 3.08 2g59A1 LEU 241 H -0.11 0.69 -0.13 -0.55 8.37 8.27 2g59A1 LEU 241 HA -0.10 -0.04 0.43 -0.75 4.35 3.88 2g59A1 LEU 241 HB2 -0.13 0.12 0.15 -0.04 1.64 1.74 2g59A1 LEU 241 HB3 -0.16 -0.09 -0.02 -0.04 1.64 1.33 2g59A1 LEU 241 HG -0.12 0.15 0.05 -0.04 1.64 1.68 2g59A1 LEU 241 HD13 -0.15 -0.04 -0.13 -0.04 0.93 0.58 2g59A1 LEU 241 HD23 -0.23 -0.04 -0.04 -0.04 0.89 0.53 2g59A1 LEU 242 H -0.14 0.65 -0.14 -0.55 8.37 8.19 2g59A1 LEU 242 HA -0.11 -0.02 0.39 -0.75 4.35 3.86 2g59A1 LEU 242 HB2 -0.11 -0.02 0.09 -0.04 1.64 1.56 2g59A1 LEU 242 HB3 -0.14 0.18 0.13 -0.04 1.64 1.76 2g59A1 LEU 242 HG -0.09 0.02 -0.26 -0.04 1.64 1.27 2g59A1 LEU 242 HD13 -0.04 -0.02 0.02 -0.04 0.93 0.84 2g59A1 LEU 242 HD23 -0.04 -0.01 -0.08 -0.04 0.89 0.72 2g59A1 GLN 243 H -0.24 0.38 -0.24 -0.55 8.47 7.83 2g59A1 GLN 243 HA -0.30 0.07 0.48 -0.75 4.36 3.86 2g59A1 GLN 243 HB2 -0.68 0.13 0.15 -0.04 2.15 1.70 2g59A1 GLN 243 HB3 -1.02 -0.02 0.00 -0.04 2.02 0.94 2g59A1 GLN 243 HG2 -0.19 0.00 0.01 -0.04 2.40 2.18 2g59A1 GLN 243 HG3 -0.19 0.03 0.03 -0.04 2.39 2.22 2g59A1 GLN 243 HE21 0.07 -0.15 -0.06 -0.04 6.97 6.78 2g59A1 GLN 243 HE22 -0.07 0.33 -0.12 -0.04 7.69 7.79 2g59A1 HIS 244 H -0.25 0.38 -0.13 -0.55 8.41 7.87 2g59A1 HIS 244 HA -0.07 0.06 0.48 -0.75 4.63 4.34 2g59A1 HIS 244 HB2 -0.01 0.06 0.10 -0.04 3.26 3.37 2g59A1 HIS 244 HB3 -0.16 0.03 0.19 -0.04 3.20 3.22 2g59A1 HIS 244 HD2 -0.34 0.08 -0.17 -0.04 6.97 6.50 2g59A1 HIS 244 HE1 -0.50 -0.02 -0.06 -0.04 7.75 7.12 2g59A1 ILE 245 H -0.07 0.67 -0.04 -0.55 8.25 8.26 2g59A1 ILE 245 HA -0.05 0.04 0.40 -0.75 4.18 3.82 2g59A1 ILE 245 HB -0.06 0.11 0.06 -0.04 1.89 1.96 2g59A1 ILE 245 HG12 -0.14 -0.08 -0.05 -0.04 1.49 1.19 2g59A1 ILE 245 HG13 -0.09 0.04 0.06 -0.04 1.21 1.18 2g59A1 ILE 245 HG23 0.08 -0.02 -0.17 -0.04 0.93 0.78 2g59A1 ILE 245 HD13 -0.13 -0.03 -0.08 -0.04 0.88 0.59 2g59A1 ARG 246 H -0.14 0.25 -0.45 -0.55 8.46 7.57 2g59A1 ARG 246 HA -0.06 0.02 0.43 -0.75 4.34 3.98 2g59A1 ARG 246 HB2 -0.10 0.04 0.14 -0.04 1.90 1.94 2g59A1 ARG 246 HB3 -0.16 0.16 0.15 -0.04 1.80 1.91 2g59A1 ARG 246 HG2 -0.08 0.00 -0.12 -0.04 1.67 1.43 2g59A1 ARG 246 HG3 -0.06 -0.05 0.04 -0.04 1.67 1.56 2g59A1 ARG 246 HD2 -0.06 -0.05 -0.02 -0.04 3.22 3.05 2g59A1 ARG 246 HD3 -0.09 -0.03 0.00 -0.04 3.22 3.07 2g59A1 ASP 247 H -0.24 0.25 -0.32 -0.55 8.40 7.55 2g59A1 ASP 247 HA -0.21 0.19 0.95 -0.75 4.63 4.80 2g59A1 ASP 247 HB2 -0.54 0.02 0.07 -0.04 2.71 2.22 2g59A1 ASP 247 HB3 -0.43 -0.09 0.11 -0.04 2.70 2.26 2g59A1 HIS 248 H -0.24 0.45 0.09 -0.55 8.41 8.17 2g59A1 HIS 248 HA -0.06 0.17 0.98 -0.75 4.63 4.97 2g59A1 HIS 248 HB2 -0.77 0.11 0.06 -0.04 3.26 2.62 2g59A1 HIS 248 HB3 -0.18 -0.21 0.15 -0.04 3.20 2.92 2g59A1 HIS 248 HD2 -0.91 0.04 0.07 -0.04 6.97 6.12 2g59A1 HIS 248 HE1 0.00 -0.02 -0.03 -0.04 7.75 7.66 2g59A1 GLU 249 H 0.21 0.11 0.14 -0.55 8.60 8.51 2g59A1 GLU 249 HA -0.02 0.30 0.91 -0.75 4.29 4.73 2g59A1 GLU 249 HB2 0.11 -0.00 0.13 -0.04 2.09 2.28 2g59A1 GLU 249 HB3 0.03 -0.13 0.25 -0.04 1.99 2.10 2g59A1 GLU 249 HG2 0.11 0.09 -0.05 -0.04 2.34 2.45 2g59A1 GLU 249 HG3 0.08 0.05 -0.19 -0.04 2.34 2.23 2g59A1 PHE 250 H -0.12 0.34 -0.11 -0.55 8.34 7.89 2g59A1 PHE 250 HA -0.17 0.14 0.80 -0.75 4.62 4.63 2g59A1 PHE 250 HB2 -0.07 -0.03 -0.26 -0.04 3.15 2.75 2g59A1 PHE 250 HB3 -0.04 -0.02 -0.33 -0.04 3.06 2.63 2g59A1 PHE 250 HD2 -0.02 -0.11 -0.23 -0.04 7.28 6.89 2g59A1 PHE 250 HE2 -0.10 0.01 -0.11 -0.04 7.38 7.13 2g59A1 PHE 250 HZ -0.03 0.06 -0.09 -0.04 7.32 7.23 2g59A1 VAL 251 H 0.04 0.49 0.28 -0.55 8.24 8.50 2g59A1 VAL 251 HA -0.53 0.20 0.68 -0.75 4.13 3.72 2g59A1 VAL 251 HB -0.31 -0.05 -0.02 -0.04 2.12 1.69 2g59A1 VAL 251 HG13 -0.32 0.02 -0.23 -0.04 0.97 0.40 2g59A1 VAL 251 HG23 -0.43 0.00 -0.03 -0.04 0.95 0.44 2g59A1 ASP 252 H -0.24 0.30 -0.04 -0.55 8.40 7.87 2g59A1 ASP 252 HA 0.03 0.27 0.71 -0.75 4.63 4.88 2g59A1 ASP 252 HB2 0.15 0.07 -0.12 -0.04 2.71 2.77 2g59A1 ASP 252 HB3 0.03 0.12 0.11 -0.04 2.70 2.92 2g59A1 ILE 253 H -0.01 0.27 -0.08 -0.55 8.25 7.88 2g59A1 ILE 253 HA -0.04 0.14 0.41 -0.75 4.18 3.93 2g59A1 ILE 253 HB -0.10 0.01 0.03 -0.04 1.89 1.79 2g59A1 ILE 253 HG12 -0.22 0.07 -0.06 -0.04 1.49 1.24 2g59A1 ILE 253 HG13 -0.15 -0.10 -0.06 -0.04 1.21 0.86 2g59A1 ILE 253 HG23 -0.20 0.03 -0.10 -0.04 0.93 0.62 2g59A1 ILE 253 HD13 -0.42 0.02 -0.08 -0.04 0.88 0.35 2g59A1 LEU 254 H 0.17 0.10 -0.16 -0.55 8.37 7.93 2g59A1 LEU 254 HA 0.34 0.14 0.34 -0.75 4.35 4.41 2g59A1 LEU 254 HB2 0.28 0.04 0.00 -0.04 1.64 1.92 2g59A1 LEU 254 HB3 0.15 -0.19 -0.05 -0.04 1.64 1.51 2g59A1 LEU 254 HG 0.11 0.06 -0.53 -0.04 1.64 1.24 2g59A1 LEU 254 HD13 0.18 0.01 -0.05 -0.04 0.93 1.03 2g59A1 LEU 254 HD23 0.12 0.01 -0.19 -0.04 0.89 0.80 2g59A1 GLY 255 H 0.09 -0.08 -0.22 -0.55 8.43 7.67 2g59A1 GLY 255 HA2 0.07 0.38 0.48 -0.51 4.01 4.44 2g59A1 GLY 255 HA3 0.06 0.01 0.31 -0.51 4.01 3.88 2g59A1 LEU 256 H 0.05 0.27 -0.38 -0.55 8.37 7.77 2g59A1 LEU 256 HA 0.04 0.07 0.39 -0.75 4.35 4.10 2g59A1 LEU 256 HB2 -0.03 -0.00 0.07 -0.04 1.64 1.64 2g59A1 LEU 256 HB3 0.02 0.04 0.19 -0.04 1.64 1.85 2g59A1 LEU 256 HG 0.03 0.02 -0.26 -0.04 1.64 1.39 2g59A1 LEU 256 HD13 0.01 0.00 -0.04 -0.04 0.93 0.86 2g59A1 LEU 256 HD23 -0.06 -0.02 -0.01 -0.04 0.89 0.76 2g59A1 VAL 257 H 0.14 0.55 -0.05 -0.55 8.24 8.33 2g59A1 VAL 257 HA 0.12 0.04 0.44 -0.75 4.13 3.98 2g59A1 VAL 257 HB 0.26 0.02 0.11 -0.04 2.12 2.47 2g59A1 VAL 257 HG13 0.15 0.01 -0.08 -0.04 0.97 1.01 2g59A1 VAL 257 HG23 0.34 0.01 0.01 -0.04 0.95 1.26 2g59A1 SER 258 H 0.10 0.52 -0.19 -0.55 8.46 8.34 2g59A1 SER 258 HA 0.05 0.04 0.43 -0.75 4.49 4.26 2g59A1 SER 258 HB2 0.05 -0.04 0.11 -0.04 3.95 4.04 2g59A1 SER 258 HB3 0.07 0.11 0.20 -0.04 3.93 4.26 2g59A1 GLU 259 H 0.09 0.57 -0.17 -0.55 8.60 8.55 2g59A1 GLU 259 HA 0.17 -0.01 0.36 -0.75 4.29 4.06 2g59A1 GLU 259 HB2 0.09 0.04 0.13 -0.04 2.09 2.32 2g59A1 GLU 259 HB3 0.09 0.10 0.14 -0.04 1.99 2.29 2g59A1 GLU 259 HG2 0.12 0.02 -0.20 -0.04 2.34 2.24 2g59A1 GLU 259 HG3 0.20 -0.04 0.02 -0.04 2.34 2.48 2g59A1 MET 260 H 0.12 0.44 -0.16 -0.55 8.47 8.32 2g59A1 MET 260 HA 0.17 0.04 0.41 -0.75 4.52 4.39 2g59A1 MET 260 HB2 0.10 0.12 0.11 -0.04 2.15 2.43 2g59A1 MET 260 HB3 0.08 -0.07 0.03 -0.04 2.03 2.03 2g59A1 MET 260 HG2 0.04 0.01 0.01 -0.04 2.63 2.65 2g59A1 MET 260 HG3 0.06 0.27 0.06 -0.04 2.56 2.91 2g59A1 MET 260 HE3 0.07 0.03 -0.09 -0.04 2.10 2.06 2g59A1 ARG 261 H 0.13 0.44 -0.29 -0.55 8.46 8.19 2g59A1 ARG 261 HA 0.15 0.33 0.53 -0.75 4.34 4.59 2g59A1 ARG 261 HB2 0.07 0.10 0.12 -0.04 1.90 2.15 2g59A1 ARG 261 HB3 0.08 -0.00 0.07 -0.04 1.80 1.90 2g59A1 ARG 261 HG2 0.06 -0.18 0.05 -0.04 1.67 1.55 2g59A1 ARG 261 HG3 0.06 0.42 0.15 -0.04 1.67 2.27 2g59A1 ARG 261 HD2 -0.05 -0.08 -0.01 -0.04 3.22 3.04 2g59A1 ARG 261 HD3 -0.03 0.03 0.04 -0.04 3.22 3.22 2g59A1 SER 262 H 0.22 0.44 -0.45 -0.55 8.46 8.13 2g59A1 SER 262 HA 0.02 -0.00 0.58 -0.75 4.49 4.34 2g59A1 SER 262 HB2 0.17 0.22 0.13 -0.04 3.95 4.44 2g59A1 SER 262 HB3 -0.12 -0.08 0.11 -0.04 3.93 3.80 2g59A1 TYR 263 H 0.39 0.36 -0.33 -0.55 8.29 8.16 2g59A1 TYR 263 HA 0.33 0.08 0.93 -0.75 4.56 5.14 2g59A1 TYR 263 HB2 0.14 0.04 0.19 -0.04 3.06 3.38 2g59A1 TYR 263 HB3 0.10 0.19 0.16 -0.04 2.98 3.38 2g59A1 TYR 263 HD2 0.12 0.24 0.05 -0.04 7.15 7.52 2g59A1 TYR 263 HE2 0.21 -0.06 -0.01 -0.04 6.85 6.95 2g59A1 ARG 264 H 0.28 0.50 0.15 -0.55 8.46 8.83 2g59A1 ARG 264 HA -0.34 -0.03 0.52 -0.75 4.34 3.74 2g59A1 ARG 264 HB2 0.00 0.08 -0.18 -0.04 1.90 1.76 2g59A1 ARG 264 HB3 0.02 -0.05 -0.02 -0.04 1.80 1.70 2g59A1 ARG 264 HG2 -0.10 0.10 -0.16 -0.04 1.67 1.46 2g59A1 ARG 264 HG3 -0.18 -0.06 -0.01 -0.04 1.67 1.38 2g59A1 ARG 264 HD2 -0.06 0.02 -0.06 -0.04 3.22 3.08 2g59A1 ARG 264 HD3 -0.03 -0.05 -0.08 -0.04 3.22 3.02 2g59A1 MET 265 H -0.53 0.13 0.09 -0.55 8.47 7.62 2g59A1 MET 265 HA 0.06 0.21 0.52 -0.75 4.52 4.55 2g59A1 MET 265 HB2 -0.02 -0.01 0.09 -0.04 2.15 2.17 2g59A1 MET 265 HB3 -0.12 0.09 0.12 -0.04 2.03 2.08 2g59A1 MET 265 HG2 -0.30 0.15 0.12 -0.04 2.63 2.55 2g59A1 MET 265 HG3 -0.12 -0.11 -0.11 -0.04 2.56 2.17 2g59A1 MET 265 HE3 -0.19 0.01 0.02 -0.04 2.10 1.90 2g59A1 SER 266 H 0.01 0.25 0.14 -0.55 8.46 8.32 2g59A1 SER 266 HA -0.01 0.12 0.21 -0.75 4.49 4.06 2g59A1 SER 266 HB2 -0.01 0.04 -0.12 -0.04 3.95 3.81 2g59A1 SER 266 HB3 -0.02 0.13 -0.40 -0.04 3.93 3.60 2g59A1 MET 267 H 0.03 0.27 -0.50 -0.55 8.47 7.72 2g59A1 MET 267 HA 0.03 0.00 0.37 -0.75 4.52 4.17 2g59A1 MET 267 HB2 0.07 0.02 -0.05 -0.04 2.15 2.16 2g59A1 MET 267 HB3 0.06 -0.10 -0.04 -0.04 2.03 1.90 2g59A1 MET 267 HG2 0.04 0.25 -0.23 -0.04 2.63 2.64 2g59A1 MET 267 HG3 0.07 0.08 -0.15 -0.04 2.56 2.52 2g59A1 MET 267 HE3 0.01 -0.01 -0.09 -0.04 2.10 1.97 2g59A1 VAL 268 H 0.06 0.41 0.29 -0.55 8.24 8.45 2g59A1 VAL 268 HA 0.15 -0.09 0.39 -0.75 4.13 3.82 2g59A1 VAL 268 HB 0.26 0.36 0.40 -0.04 2.12 3.10 2g59A1 VAL 268 HG13 0.37 -0.04 -0.18 -0.04 0.97 1.08 2g59A1 VAL 268 HG23 0.18 -0.04 -0.40 -0.04 0.95 0.64 2g59A1 GLN 269 H 0.11 -0.15 0.16 -0.55 8.47 8.05 2g59A1 GLN 269 HA 0.18 0.35 0.47 -0.75 4.36 4.60 2g59A1 GLN 269 HB2 0.07 -0.01 0.09 -0.04 2.15 2.26 2g59A1 GLN 269 HB3 0.10 -0.19 0.17 -0.04 2.02 2.06 2g59A1 GLN 269 HG2 0.11 0.01 -0.37 -0.04 2.40 2.11 2g59A1 GLN 269 HG3 0.08 0.11 0.02 -0.04 2.39 2.55 2g59A1 GLN 269 HE21 -0.03 -0.01 0.01 -0.04 6.97 6.90 2g59A1 GLN 269 HE22 -0.01 0.08 -0.01 -0.04 7.69 7.71 2g59A1 THR 270 H 0.12 -0.02 -0.01 -0.55 8.28 7.81 2g59A1 THR 270 HA 0.05 0.42 1.11 -0.75 4.39 5.21 2g59A1 THR 270 HB -0.04 -0.02 0.11 -0.04 4.32 4.33 2g59A1 THR 270 HG23 0.07 0.07 -0.07 -0.04 1.22 1.25 2g59A1 GLU 271 H -0.36 0.27 0.15 -0.55 8.60 8.11 2g59A1 GLU 271 HA -1.19 0.15 0.35 -0.75 4.29 2.85 2g59A1 GLU 271 HB2 -0.29 0.10 0.12 -0.04 2.09 1.98 2g59A1 GLU 271 HB3 -0.18 -0.02 0.07 -0.04 1.99 1.82 2g59A1 GLU 271 HG2 -0.14 -0.06 -0.15 -0.04 2.34 1.95 2g59A1 GLU 271 HG3 -0.12 0.05 -0.08 -0.04 2.34 2.15 2g59A1 GLU 272 H -0.14 0.11 -0.21 -0.55 8.60 7.82 2g59A1 GLU 272 HA -0.10 0.11 0.36 -0.75 4.29 3.91 2g59A1 GLU 272 HB2 -0.04 0.07 0.05 -0.04 2.09 2.13 2g59A1 GLU 272 HB3 -0.02 -0.01 0.01 -0.04 1.99 1.92 2g59A1 GLU 272 HG2 -0.02 -0.01 -0.37 -0.04 2.34 1.90 2g59A1 GLU 272 HG3 -0.03 0.00 -0.03 -0.04 2.34 2.24 2g59A1 GLN 273 H -0.01 0.09 -0.32 -0.55 8.47 7.69 2g59A1 GLN 273 HA 0.19 0.07 0.38 -0.75 4.36 4.24 2g59A1 GLN 273 HB2 0.14 0.09 0.03 -0.04 2.15 2.37 2g59A1 GLN 273 HB3 0.27 0.03 0.00 -0.04 2.02 2.28 2g59A1 GLN 273 HG2 0.24 0.20 -0.11 -0.04 2.40 2.69 2g59A1 GLN 273 HG3 0.11 -0.07 -0.10 -0.04 2.39 2.29 2g59A1 GLN 273 HE21 -0.00 -0.28 -0.06 -0.04 6.97 6.59 2g59A1 GLN 273 HE22 0.24 0.59 -0.01 -0.04 7.69 8.47 2g59A1 TYR 274 H 0.00 0.46 -0.32 -0.55 8.29 7.88 2g59A1 TYR 274 HA 0.13 0.05 0.35 -0.75 4.56 4.34 2g59A1 TYR 274 HB2 -0.17 0.10 -0.00 -0.04 3.06 2.94 2g59A1 TYR 274 HB3 -0.28 0.13 0.13 -0.04 2.98 2.92 2g59A1 TYR 274 HD2 0.19 0.02 -0.06 -0.04 7.15 7.26 2g59A1 TYR 274 HE2 0.31 0.02 -0.09 -0.04 6.85 7.06 2g59A1 ILE 275 H -0.12 0.59 -0.13 -0.55 8.25 8.04 2g59A1 ILE 275 HA -0.69 0.02 0.45 -0.75 4.18 3.20 2g59A1 ILE 275 HB -0.25 0.08 0.13 -0.04 1.89 1.81 2g59A1 ILE 275 HG12 -2.08 -0.05 -0.01 -0.04 1.49 -0.69 2g59A1 ILE 275 HG13 -0.48 0.19 0.03 -0.04 1.21 0.91 2g59A1 ILE 275 HG23 -0.42 -0.02 -0.10 -0.04 0.93 0.35 2g59A1 ILE 275 HD13 -0.27 -0.02 -0.07 -0.04 0.88 0.47 2g59A1 PHE 276 H 0.12 0.53 -0.23 -0.55 8.34 8.20 2g59A1 PHE 276 HA -0.05 -0.01 0.38 -0.75 4.62 4.19 2g59A1 PHE 276 HB2 -0.04 0.04 0.10 -0.04 3.15 3.22 2g59A1 PHE 276 HB3 0.02 0.16 0.16 -0.04 3.06 3.36 2g59A1 PHE 276 HD2 -0.03 0.04 -0.03 -0.04 7.28 7.21 2g59A1 PHE 276 HE2 -0.25 0.03 -0.02 -0.04 7.38 7.09 2g59A1 PHE 276 HZ -0.28 -0.02 0.01 -0.04 7.32 6.99 2g59A1 ILE 277 H 0.10 0.49 -0.34 -0.55 8.25 7.94 2g59A1 ILE 277 HA -0.16 0.02 0.39 -0.75 4.18 3.67 2g59A1 ILE 277 HB -0.06 0.23 0.12 -0.04 1.89 2.14 2g59A1 ILE 277 HG12 0.09 -0.03 0.04 -0.04 1.49 1.55 2g59A1 ILE 277 HG13 0.18 0.23 0.09 -0.04 1.21 1.68 2g59A1 ILE 277 HG23 -0.13 -0.02 -0.17 -0.04 0.93 0.56 2g59A1 ILE 277 HD13 0.16 -0.02 -0.02 -0.04 0.88 0.95 2g59A1 HIS 278 H 0.14 0.37 -0.22 -0.55 8.41 8.15 2g59A1 HIS 278 HA 0.25 -0.00 0.42 -0.75 4.63 4.54 2g59A1 HIS 278 HB2 0.03 0.19 0.16 -0.04 3.26 3.60 2g59A1 HIS 278 HB3 0.20 -0.05 0.00 -0.04 3.20 3.30 2g59A1 HIS 278 HD2 0.30 -0.02 -0.01 -0.04 6.97 7.19 2g59A1 HIS 278 HE1 -1.08 0.01 -0.09 -0.04 7.75 6.55 2g59A1 GLN 279 H 0.02 0.51 -0.15 -0.55 8.47 8.30 2g59A1 GLN 279 HA 0.09 0.00 0.41 -0.75 4.36 4.10 2g59A1 GLN 279 HB2 -0.15 0.13 0.15 -0.04 2.15 2.25 2g59A1 GLN 279 HB3 -0.02 -0.05 0.03 -0.04 2.02 1.94 2g59A1 GLN 279 HG2 0.03 -0.05 0.00 -0.04 2.40 2.35 2g59A1 GLN 279 HG3 -0.01 0.29 0.03 -0.04 2.39 2.67 2g59A1 GLN 279 HE21 0.03 -0.01 -0.04 -0.04 6.97 6.91 2g59A1 GLN 279 HE22 0.03 -0.00 -0.03 -0.04 7.69 7.64 2g59A1 CYS 280 H -0.30 0.57 -0.20 -0.55 8.50 8.03 2g59A1 CYS 280 HA -0.20 -0.02 0.38 -0.75 4.58 3.99 2g59A1 CYS 280 HB2 -0.32 0.16 0.17 -0.04 2.97 2.94 2g59A1 CYS 280 HB3 -0.23 -0.03 -0.02 -0.04 2.97 2.65 2g59A1 VAL 281 H -0.08 0.52 -0.14 -0.55 8.24 7.99 2g59A1 VAL 281 HA -0.13 0.04 0.37 -0.75 4.13 3.65 2g59A1 VAL 281 HB -0.16 0.12 0.14 -0.04 2.12 2.18 2g59A1 VAL 281 HG13 -0.71 -0.02 -0.15 -0.04 0.97 0.05 2g59A1 VAL 281 HG23 -0.23 0.04 0.01 -0.04 0.95 0.72 2g59A1 GLN 282 H 0.17 0.50 -0.27 -0.55 8.47 8.33 2g59A1 GLN 282 HA 0.31 -0.03 0.35 -0.75 4.36 4.23 2g59A1 GLN 282 HB2 0.36 0.04 0.11 -0.04 2.15 2.62 2g59A1 GLN 282 HB3 0.15 0.21 0.15 -0.04 2.02 2.49 2g59A1 GLN 282 HG2 0.18 0.00 -0.11 -0.04 2.40 2.43 2g59A1 GLN 282 HG3 0.33 -0.07 0.02 -0.04 2.39 2.63 2g59A1 GLN 282 HE21 0.10 0.01 0.00 -0.04 6.97 7.03 2g59A1 GLN 282 HE22 0.20 -0.08 -0.02 -0.04 7.69 7.74 2g59A1 LEU 283 H 0.03 0.42 -0.22 -0.55 8.37 8.06 2g59A1 LEU 283 HA 0.03 -0.00 0.43 -0.75 4.35 4.05 2g59A1 LEU 283 HB2 -0.04 0.17 0.13 -0.04 1.64 1.86 2g59A1 LEU 283 HB3 -0.01 -0.05 -0.01 -0.04 1.64 1.53 2g59A1 LEU 283 HG -0.01 0.23 0.06 -0.04 1.64 1.88 2g59A1 LEU 283 HD13 -0.03 -0.03 -0.07 -0.04 0.93 0.76 2g59A1 LEU 283 HD23 0.02 -0.02 -0.03 -0.04 0.89 0.82 2g59A1 MET 284 H -0.01 0.59 -0.08 -0.55 8.47 8.43 2g59A1 MET 284 HA -0.02 0.00 0.39 -0.75 4.52 4.14 2g59A1 MET 284 HB2 -0.04 0.07 0.17 -0.04 2.15 2.31 2g59A1 MET 284 HB3 -0.02 0.01 -0.01 -0.04 2.03 1.97 2g59A1 MET 284 HG2 -0.05 -0.03 0.00 -0.04 2.63 2.51 2g59A1 MET 284 HG3 -0.07 0.15 -0.02 -0.04 2.56 2.58 2g59A1 MET 284 HE3 -0.13 -0.02 -0.27 -0.04 2.10 1.64 2g59A1 TRP 285 H 0.20 0.65 -0.19 -0.55 7.97 8.07 2g59A1 TRP 285 HA -0.07 0.06 0.40 -0.75 4.62 4.25 2g59A1 TRP 285 HB2 -0.12 -0.03 0.07 -0.04 3.23 3.11 2g59A1 TRP 285 HB3 -0.02 0.16 0.19 -0.04 3.23 3.52 2g59A1 TRP 285 HD1 0.07 -0.04 -0.01 -0.04 7.22 7.20 2g59A1 TRP 285 HE1 0.05 -0.03 -0.05 -0.04 10.20 10.12 2g59A1 TRP 285 HE3 -0.06 0.07 0.06 -0.04 7.59 7.62 2g59A1 TRP 285 HZ2 0.02 -0.03 -0.13 -0.04 7.44 7.27 2g59A1 TRP 285 HZ3 -0.02 0.12 -0.01 -0.04 7.13 7.18 2g59A1 TRP 285 HH2 0.01 0.01 -0.03 -0.04 7.19 7.13 2g59A1 MET 286 H 0.04 0.47 -0.08 -0.55 8.47 8.36 2g59A1 MET 286 HA -0.44 0.01 0.41 -0.75 4.52 3.74 2g59A1 MET 286 HB2 -0.05 0.11 0.15 -0.04 2.15 2.32 2g59A1 MET 286 HB3 -0.11 -0.03 0.00 -0.04 2.03 1.85 2g59A1 MET 286 HG2 -0.11 -0.05 0.03 -0.04 2.63 2.46 2g59A1 MET 286 HG3 0.04 0.17 0.10 -0.04 2.56 2.83 2g59A1 MET 286 HE3 -0.03 -0.01 -0.01 -0.04 2.10 2.01 2g59A1 LYS 287 H -0.06 0.49 -0.20 -0.55 8.42 8.10 2g59A1 LYS 287 HA -0.09 0.00 0.40 -0.75 4.32 3.88 2g59A1 LYS 287 HB2 -0.05 0.15 0.12 -0.04 1.87 2.05 2g59A1 LYS 287 HB3 -0.06 -0.02 -0.00 -0.04 1.79 1.66 2g59A1 LYS 287 HG2 -0.05 -0.07 0.02 -0.04 1.46 1.32 2g59A1 LYS 287 HG3 -0.04 0.24 0.06 -0.04 1.46 1.68 2g59A1 LYS 287 HD2 -0.04 0.01 -0.06 -0.04 1.69 1.56 2g59A1 LYS 287 HD3 -0.06 -0.01 -0.03 -0.04 1.68 1.54 2g59A1 LYS 287 HE2 -0.03 -0.03 -0.05 -0.04 2.99 2.84 2g59A1 LYS 287 HE3 -0.03 -0.03 -0.12 -0.04 2.99 2.78 2g59A1 LYS 288 H -0.09 0.44 -0.28 -0.55 8.42 7.93 2g59A1 LYS 288 HA -0.07 0.03 0.36 -0.75 4.32 3.88 2g59A1 LYS 288 HB2 0.03 0.05 0.09 -0.04 1.87 2.01 2g59A1 LYS 288 HB3 -0.03 0.11 0.13 -0.04 1.79 1.95 2g59A1 LYS 288 HG2 -0.02 -0.09 -0.06 -0.04 1.46 1.25 2g59A1 LYS 288 HG3 0.00 -0.02 0.04 -0.04 1.46 1.44 2g59A1 LYS 288 HD2 0.13 0.08 -0.05 -0.04 1.69 1.82 2g59A1 LYS 288 HD3 0.39 -0.13 -0.00 -0.04 1.68 1.90 2g59A1 LYS 288 HE2 0.09 -0.16 -0.02 -0.04 2.99 2.86 2g59A1 LYS 288 HE3 0.02 0.07 0.07 -0.04 2.99 3.12 2g59A1 LYS 289 H -0.41 0.36 -0.28 -0.55 8.42 7.53 2g59A1 LYS 289 HA -0.35 -0.01 0.42 -0.75 4.32 3.62 2g59A1 LYS 289 HB2 -0.42 0.16 0.13 -0.04 1.87 1.69 2g59A1 LYS 289 HB3 -0.38 -0.10 0.11 -0.04 1.79 1.38 2g59A1 LYS 289 HG2 -1.26 -0.07 0.01 -0.04 1.46 0.10 2g59A1 LYS 289 HG3 -1.52 0.40 0.05 -0.04 1.46 0.35 2g59A1 LYS 289 HD2 -2.25 -0.07 -0.15 -0.04 1.69 -0.81 2g59A1 LYS 289 HD3 -0.73 -0.04 -0.04 -0.04 1.68 0.83 2g59A1 LYS 289 HE2 -0.31 0.02 0.01 -0.04 2.99 2.66 2g59A1 LYS 289 HE3 -0.36 -0.02 -0.01 -0.04 2.99 2.56 2g59A1 GLU 290 H -0.16 0.43 -0.69 -0.55 8.60 7.63 2g59A1 GLU 290 HA -0.10 0.02 0.56 -0.75 4.29 4.02 2g59A1 GLU 290 HB2 -0.08 0.18 0.20 -0.04 2.09 2.34 2g59A1 GLU 290 HB3 -0.07 -0.10 0.18 -0.04 1.99 1.96 2g59A1 GLU 290 HG2 -0.09 -0.09 -0.01 -0.04 2.34 2.11 2g59A1 GLU 290 HG3 -0.13 0.33 0.10 -0.04 2.34 2.60 2g59A1 GLY 291 H -0.10 0.30 -0.85 -0.55 8.43 7.23 2g59A1 GLY 291 HA2 -0.05 0.01 0.21 -0.51 4.01 3.68 2g59A1 GLY 291 HA3 -0.06 0.11 0.18 -0.51 4.01 3.74