============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 9 1.000 -6.978 -5.962 -3.075 -99.200 -91.000 HIS 28 0.900 -7.221 -7.904 3.339 -99.200 -91.000 TYR 36 0.840 -10.681 -9.847 -4.960 -99.200 -91.000 TYR 48 0.840 -17.860 -6.527 -28.008 -99.200 -91.000 TRP 53 1.040 -16.610 -9.178 -17.477 -99.200 -91.000 TRP6 53 1.020 -18.651 -8.717 -18.560 -99.200 -91.000 PHE 63 1.000 -17.949 -16.133 -5.956 -99.200 -91.000 TYR 82 0.840 -26.704 -10.961 -14.006 -99.200 -91.000 PHE 91 1.000 -17.542 -13.913 -10.729 -99.200 -91.000 TYR 116 0.840 -15.670 -10.759 -7.730 -99.200 -91.000 PHE 136 1.000 -15.327 -8.700 -21.831 -99.200 -91.000 TYR 138 0.840 -13.491 -8.760 -26.962 -99.200 -91.000 HIS 144 0.900 -17.903 -22.108 -28.052 -99.200 -91.000 TRP 165 1.040 -5.418 -28.244 -31.096 -99.200 -91.000 TRP6 165 1.020 -4.955 -25.974 -31.539 -99.200 -91.000 PHE 181 1.000 -0.800 -23.925 -23.668 -99.200 -91.000 TYR 215 0.840 3.467 -24.341 -9.770 -99.200 -91.000 PHE 217 1.000 0.968 -26.042 -17.854 -99.200 -91.000 TYR 225 0.840 -7.675 -22.626 -33.629 -99.200 -91.000 TYR 229 0.840 -7.116 -21.513 -19.955 -99.200 -91.000 TRP 243 1.040 -14.196 -24.396 -27.320 -99.200 -91.000 TRP6 243 1.020 -16.199 -25.470 -27.951 -99.200 -91.000 TYR 261 0.840 2.417 -9.553 6.413 -99.200 -91.000 PHE 265 1.000 6.507 -15.805 19.302 -99.200 -91.000 PHE 280 1.000 4.507 -19.064 25.988 -99.200 -91.000 TYR 291 0.840 -5.716 -11.745 27.605 -99.200 -91.000 TYR 321 0.840 9.744 -34.418 26.905 -99.200 -91.000 TYR 344 0.840 -3.447 -27.104 20.673 -99.200 -91.000 PHE 355 1.000 -6.798 -15.307 14.422 -99.200 -91.000 TRP 357 1.040 -7.809 -8.261 18.780 -99.200 -91.000 TRP6 357 1.020 -5.751 -9.004 19.655 -99.200 -91.000 PHE 377 1.000 5.701 -20.383 21.795 -99.200 -91.000 TYR 387 0.840 -0.375 -8.991 16.703 -99.200 -91.000 TYR 388 0.840 2.720 -5.672 23.953 -99.200 -91.000 TYR 398 0.840 12.447 -24.328 33.221 -99.200 -91.000 PHE 407 1.000 3.926 -11.757 19.020 -99.200 -91.000 TYR 414 0.840 5.760 -18.613 9.504 -99.200 -91.000 TYR 423 0.840 9.187 -22.930 14.538 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2x9yA1 ALA 187 HA 0.04 -0.11 0.23 -0.75 4.34 3.75 2x9yA1 ALA 187 HB3 0.04 -0.01 0.01 -0.04 1.41 1.41 2x9yA1 LYS 188 H 0.05 0.06 0.11 -0.55 8.42 8.08 2x9yA1 LYS 188 HA 0.11 0.20 0.81 -0.75 4.32 4.68 2x9yA1 LYS 188 HB2 0.05 -0.07 0.09 -0.04 1.87 1.90 2x9yA1 LYS 188 HB3 0.07 0.14 0.09 -0.04 1.79 2.05 2x9yA1 LYS 188 HG2 0.11 0.04 -0.06 -0.04 1.46 1.51 2x9yA1 LYS 188 HG3 0.07 -0.05 -0.07 -0.04 1.46 1.37 2x9yA1 LYS 188 HD2 0.05 -0.02 0.02 -0.04 1.69 1.70 2x9yA1 LYS 188 HD3 0.09 0.05 0.02 -0.04 1.68 1.80 2x9yA1 LYS 188 HE2 0.05 -0.03 0.01 -0.04 2.99 2.98 2x9yA1 LYS 188 HE3 0.06 -0.01 0.00 -0.04 2.99 3.00 2x9yA1 PRO 189 HA -0.00 0.30 0.75 -0.51 4.44 4.97 2x9yA1 PRO 189 HB2 -0.15 -0.04 -0.06 -0.04 2.28 1.99 2x9yA1 PRO 189 HB3 -0.09 0.03 0.12 -0.04 2.02 2.04 2x9yA1 PRO 189 HG2 -1.34 0.01 0.05 -0.04 2.03 0.71 2x9yA1 PRO 189 HG3 -0.22 0.02 0.11 -0.04 2.03 1.90 2x9yA1 PRO 189 HD2 -0.05 0.09 0.21 -0.04 3.68 3.89 2x9yA1 PRO 189 HD3 0.07 0.16 0.27 -0.04 3.65 4.11 2x9yA1 LYS 190 H -0.03 0.40 0.40 -0.55 8.42 8.63 2x9yA1 LYS 190 HA -0.01 0.19 0.85 -0.75 4.32 4.60 2x9yA1 LYS 190 HB2 -0.01 -0.11 0.10 -0.04 1.87 1.81 2x9yA1 LYS 190 HB3 -0.00 0.05 0.02 -0.04 1.79 1.82 2x9yA1 LYS 190 HG2 0.01 0.06 0.00 -0.04 1.46 1.49 2x9yA1 LYS 190 HG3 0.01 0.10 -0.27 -0.04 1.46 1.25 2x9yA1 LYS 190 HD2 0.01 -0.01 -0.05 -0.04 1.69 1.60 2x9yA1 LYS 190 HD3 0.00 -0.09 -0.08 -0.04 1.68 1.47 2x9yA1 LYS 190 HE2 0.00 -0.10 -0.13 -0.04 2.99 2.73 2x9yA1 LYS 190 HE3 0.00 0.07 -0.26 -0.04 2.99 2.76 2x9yA1 ILE 191 H -0.00 0.31 0.23 -0.55 8.25 8.23 2x9yA1 ILE 191 HA -0.01 0.35 1.11 -0.75 4.18 4.86 2x9yA1 ILE 191 HB -0.05 -0.00 -0.24 -0.04 1.89 1.55 2x9yA1 ILE 191 HG12 0.05 -0.03 -0.12 -0.04 1.49 1.35 2x9yA1 ILE 191 HG13 0.05 0.07 -0.05 -0.04 1.21 1.24 2x9yA1 ILE 191 HG23 0.04 -0.01 -0.20 -0.04 0.93 0.72 2x9yA1 ILE 191 HD13 0.13 -0.01 -0.20 -0.04 0.88 0.77 2x9yA1 ASP 192 H 0.01 0.54 0.33 -0.55 8.40 8.73 2x9yA1 ASP 192 HA 0.01 0.12 0.45 -0.75 4.63 4.45 2x9yA1 ASP 192 HB2 -0.00 0.13 -0.39 -0.04 2.71 2.41 2x9yA1 ASP 192 HB3 -0.00 -0.23 -0.14 -0.04 2.70 2.29 2x9yA1 LYS 193 H -0.01 0.38 0.21 -0.55 8.42 8.44 2x9yA1 LYS 193 HA 0.00 0.27 1.12 -0.75 4.32 4.96 2x9yA1 LYS 193 HB2 0.02 -0.04 0.00 -0.04 1.87 1.81 2x9yA1 LYS 193 HB3 -0.02 0.07 0.06 -0.04 1.79 1.86 2x9yA1 LYS 193 HG2 -0.08 0.01 -0.33 -0.04 1.46 1.01 2x9yA1 LYS 193 HG3 -0.02 0.05 -0.02 -0.04 1.46 1.43 2x9yA1 LYS 193 HD2 0.00 -0.03 -0.13 -0.04 1.69 1.49 2x9yA1 LYS 193 HD3 -0.10 0.01 -0.15 -0.04 1.68 1.39 2x9yA1 LYS 193 HE2 -0.53 0.03 -0.16 -0.04 2.99 2.28 2x9yA1 LYS 193 HE3 -0.24 -0.04 -0.16 -0.04 2.99 2.51 2x9yA1 ASP 194 H -0.01 0.54 0.32 -0.55 8.40 8.70 2x9yA1 ASP 194 HA -0.22 0.16 0.51 -0.75 4.63 4.33 2x9yA1 ASP 194 HB2 -0.05 -0.00 -0.40 -0.04 2.71 2.21 2x9yA1 ASP 194 HB3 -0.03 -0.04 -0.24 -0.04 2.70 2.35 2x9yA1 PHE 195 H -0.28 0.13 0.12 -0.55 8.34 7.77 2x9yA1 PHE 195 HA -0.05 0.18 0.71 -0.75 4.62 4.71 2x9yA1 PHE 195 HB2 -0.01 -0.01 0.07 -0.04 3.15 3.17 2x9yA1 PHE 195 HB3 -0.06 0.06 0.16 -0.04 3.06 3.18 2x9yA1 PHE 195 HD2 -0.15 0.03 -0.03 -0.04 7.28 7.08 2x9yA1 PHE 195 HE2 0.04 0.03 -0.08 -0.04 7.38 7.33 2x9yA1 PHE 195 HZ 0.10 0.14 -0.23 -0.04 7.32 7.29 2x9yA1 LYS 196 H 0.06 0.70 0.26 -0.55 8.42 8.88 2x9yA1 LYS 196 HA 0.01 -0.05 0.23 -0.75 4.32 3.75 2x9yA1 LYS 196 HB2 -0.03 0.05 0.01 -0.04 1.87 1.85 2x9yA1 LYS 196 HB3 -0.01 -0.01 0.10 -0.04 1.79 1.82 2x9yA1 LYS 196 HG2 -0.01 0.01 -0.15 -0.04 1.46 1.26 2x9yA1 LYS 196 HG3 -0.02 -0.00 -0.02 -0.04 1.46 1.37 2x9yA1 LYS 196 HD2 -0.04 -0.00 -0.00 -0.04 1.69 1.60 2x9yA1 LYS 196 HD3 -0.03 -0.01 -0.03 -0.04 1.68 1.58 2x9yA1 LYS 196 HE2 -0.03 -0.00 -0.03 -0.04 2.99 2.89 2x9yA1 LYS 196 HE3 -0.03 0.00 -0.02 -0.04 2.99 2.90 2x9yA1 GLY 197 H 0.01 0.08 0.13 -0.55 8.43 8.09 2x9yA1 GLY 197 HA2 0.00 -0.01 0.32 -0.51 4.01 3.82 2x9yA1 GLY 197 HA3 0.01 0.13 0.48 -0.51 4.01 4.13 2x9yA1 LYS 198 H 0.04 0.48 -0.17 -0.55 8.42 8.21 2x9yA1 LYS 198 HA 0.02 0.23 0.86 -0.75 4.32 4.67 2x9yA1 LYS 198 HB2 0.06 0.05 -0.01 -0.04 1.87 1.94 2x9yA1 LYS 198 HB3 0.03 -0.08 0.05 -0.04 1.79 1.75 2x9yA1 LYS 198 HG2 0.05 -0.03 -0.06 -0.04 1.46 1.39 2x9yA1 LYS 198 HG3 0.06 0.03 -0.38 -0.04 1.46 1.12 2x9yA1 LYS 198 HD2 0.22 -0.02 -0.09 -0.04 1.69 1.76 2x9yA1 LYS 198 HD3 0.17 -0.05 -0.02 -0.04 1.68 1.74 2x9yA1 LYS 198 HE2 0.08 -0.04 -0.03 -0.04 2.99 2.95 2x9yA1 LYS 198 HE3 0.06 0.05 -0.08 -0.04 2.99 2.98 2x9yA1 ALA 199 H 0.01 -0.02 -0.08 -0.55 8.40 7.76 2x9yA1 ALA 199 HA -0.01 0.03 0.25 -0.75 4.34 3.85 2x9yA1 ALA 199 HB3 -0.01 0.02 -0.10 -0.04 1.41 1.28 2x9yA1 ASN 200 H -0.01 0.10 -0.10 -0.55 8.53 7.97 2x9yA1 ASN 200 HA -0.00 0.09 0.46 -0.75 4.76 4.54 2x9yA1 ASN 200 HB2 0.00 0.21 -0.41 -0.04 2.88 2.64 2x9yA1 ASN 200 HB3 -0.00 0.13 -0.12 -0.04 2.79 2.76 2x9yA1 ASN 200 HD21 0.00 -0.05 -0.04 -0.04 7.03 6.90 2x9yA1 ASN 200 HD22 0.00 0.09 -0.06 -0.04 7.74 7.73 2x9yA1 PRO 201 HA -0.00 0.19 0.09 -0.51 4.44 4.20 2x9yA1 PRO 201 HB2 -0.00 0.03 -0.17 -0.04 2.28 2.10 2x9yA1 PRO 201 HB3 -0.01 -0.02 -0.31 -0.04 2.02 1.65 2x9yA1 PRO 201 HG2 -0.01 0.03 -0.22 -0.04 2.03 1.79 2x9yA1 PRO 201 HG3 -0.01 0.19 -0.19 -0.04 2.03 1.98 2x9yA1 PRO 201 HD2 -0.00 0.10 0.01 -0.04 3.68 3.74 2x9yA1 PRO 201 HD3 -0.01 0.11 -0.07 -0.04 3.65 3.64 2x9yA1 ASP 202 H -0.00 -0.01 -0.44 -0.55 8.40 7.40 2x9yA1 ASP 202 HA 0.00 0.15 0.52 -0.75 4.63 4.55 2x9yA1 ASP 202 HB2 0.00 -0.05 -0.00 -0.04 2.71 2.62 2x9yA1 ASP 202 HB3 0.00 0.02 -0.05 -0.04 2.70 2.63 2x9yA1 THR 203 H 0.00 0.01 -0.25 -0.55 8.28 7.49 2x9yA1 THR 203 HA 0.00 0.23 0.80 -0.75 4.39 4.68 2x9yA1 THR 203 HB 0.00 0.01 0.04 -0.04 4.32 4.34 2x9yA1 THR 203 HG23 0.00 -0.01 -0.12 -0.04 1.22 1.05 2x9yA1 PRO 204 HA -0.00 -0.01 0.47 -0.51 4.44 4.39 2x9yA1 PRO 204 HB2 -0.00 0.03 -0.01 -0.04 2.28 2.26 2x9yA1 PRO 204 HB3 -0.01 -0.03 0.11 -0.04 2.02 2.06 2x9yA1 PRO 204 HG2 0.00 0.00 0.06 -0.04 2.03 2.05 2x9yA1 PRO 204 HG3 0.00 0.09 0.03 -0.04 2.03 2.11 2x9yA1 PRO 204 HD2 0.00 0.05 0.07 -0.04 3.68 3.76 2x9yA1 PRO 204 HD3 0.00 0.20 -0.51 -0.04 3.65 3.30 2x9yA1 ARG 205 H -0.01 0.10 0.16 -0.55 8.46 8.16 2x9yA1 ARG 205 HA 0.01 0.03 0.41 -0.75 4.34 4.04 2x9yA1 ARG 205 HB2 0.00 0.13 0.15 -0.04 1.90 2.14 2x9yA1 ARG 205 HB3 -0.01 -0.00 0.06 -0.04 1.80 1.81 2x9yA1 ARG 205 HG2 0.02 -0.18 -0.12 -0.04 1.67 1.35 2x9yA1 ARG 205 HG3 0.02 -0.02 0.10 -0.04 1.67 1.73 2x9yA1 ARG 205 HD2 0.05 -0.00 -0.01 -0.04 3.22 3.21 2x9yA1 ARG 205 HD3 0.04 0.06 0.02 -0.04 3.22 3.30 2x9yA1 VAL 206 H 0.01 0.08 0.21 -0.55 8.24 7.99 2x9yA1 VAL 206 HA 0.01 0.22 0.52 -0.75 4.13 4.13 2x9yA1 VAL 206 HB 0.01 -0.05 0.15 -0.04 2.12 2.19 2x9yA1 VAL 206 HG13 0.01 -0.00 -0.09 -0.04 0.97 0.84 2x9yA1 VAL 206 HG23 0.01 0.04 0.03 -0.04 0.95 0.98 2x9yA1 ASP 207 H 0.02 0.06 -0.01 -0.55 8.40 7.93 2x9yA1 ASP 207 HA 0.02 0.16 0.58 -0.75 4.63 4.63 2x9yA1 LYS 208 H 0.01 0.24 -0.90 -0.55 8.42 7.22 2x9yA1 LYS 208 HA 0.01 -0.00 0.07 -0.75 4.32 3.65 2x9yA1 LYS 208 HB2 -0.01 0.26 -0.06 -0.04 1.87 2.02 2x9yA1 LYS 208 HB3 -0.01 0.02 -0.10 -0.04 1.79 1.66 2x9yA1 LYS 208 HG2 -0.06 0.09 -0.41 -0.04 1.46 1.04 2x9yA1 LYS 208 HG3 -0.06 -0.13 -0.08 -0.04 1.46 1.14 2x9yA1 LYS 208 HD2 -0.02 0.08 -0.07 -0.04 1.69 1.64 2x9yA1 LYS 208 HD3 -0.04 -0.04 -0.39 -0.04 1.68 1.17 2x9yA1 LYS 208 HE2 -0.09 0.17 0.05 -0.04 2.99 3.08 2x9yA1 LYS 208 HE3 -0.06 -0.19 0.00 -0.04 2.99 2.70 2x9yA1 ASP 209 H 0.01 0.09 -0.18 -0.55 8.40 7.77 2x9yA1 ASP 209 HA 0.01 0.16 0.31 -0.75 4.63 4.36 2x9yA1 THR 210 H 0.04 0.28 -0.48 -0.55 8.28 7.57 2x9yA1 THR 210 HA 0.05 0.07 0.57 -0.75 4.39 4.32 2x9yA1 THR 210 HB 0.05 0.17 0.17 -0.04 4.32 4.67 2x9yA1 THR 210 HG23 0.06 0.00 -0.12 -0.04 1.22 1.12 2x9yA1 PRO 211 HA 0.13 0.14 0.23 -0.51 4.44 4.43 2x9yA1 PRO 211 HB2 0.10 -0.09 -0.19 -0.04 2.28 2.06 2x9yA1 PRO 211 HB3 0.09 0.01 -0.32 -0.04 2.02 1.76 2x9yA1 PRO 211 HG2 0.07 -0.02 0.02 -0.04 2.03 2.06 2x9yA1 PRO 211 HG3 0.06 0.13 0.05 -0.04 2.03 2.23 2x9yA1 PRO 211 HD2 0.07 -0.03 0.18 -0.04 3.68 3.86 2x9yA1 PRO 211 HD3 0.05 0.35 0.40 -0.04 3.65 4.41 2x9yA1 VAL 212 H 0.19 0.81 0.39 -0.55 8.24 9.08 2x9yA1 VAL 212 HA 0.03 0.09 0.92 -0.75 4.13 4.42 2x9yA1 VAL 212 HB 0.03 -0.02 0.19 -0.04 2.12 2.28 2x9yA1 VAL 212 HG13 -0.23 0.01 -0.04 -0.04 0.97 0.67 2x9yA1 VAL 212 HG23 0.25 0.02 0.06 -0.04 0.95 1.24 2x9yA1 ASN 213 H -0.09 0.10 0.15 -0.55 8.53 8.15 2x9yA1 ASN 213 HA -0.29 0.35 0.55 -0.75 4.76 4.62 2x9yA1 ASN 213 HB2 -0.25 -0.01 0.07 -0.04 2.88 2.64 2x9yA1 ASN 213 HB3 -0.14 -0.05 0.17 -0.04 2.79 2.74 2x9yA1 ASN 213 HD21 -0.45 0.13 0.10 -0.04 7.03 6.77 2x9yA1 ASN 213 HD22 -0.63 0.41 0.25 -0.04 7.74 7.72 2x9yA1 HIS 214 H -0.12 0.80 0.41 -0.55 8.41 8.96 2x9yA1 HIS 214 HA -0.09 0.09 0.69 -0.75 4.63 4.56 2x9yA1 HIS 214 HB2 -0.10 -0.05 -0.06 -0.04 3.26 3.02 2x9yA1 HIS 214 HB3 -0.08 0.06 -0.05 -0.04 3.20 3.09 2x9yA1 HIS 214 HD2 -0.18 0.09 -0.18 -0.04 6.97 6.66 2x9yA1 HIS 214 HE1 -0.23 -0.01 -0.01 -0.04 7.75 7.46 2x9yA1 GLN 215 H 0.08 0.11 0.08 -0.55 8.47 8.20 2x9yA1 GLN 215 HA 0.06 0.16 0.59 -0.75 4.36 4.42 2x9yA1 GLN 215 HB2 0.23 0.22 0.19 -0.04 2.15 2.74 2x9yA1 GLN 215 HB3 0.13 -0.15 -0.01 -0.04 2.02 1.94 2x9yA1 GLN 215 HG2 0.12 -0.09 0.05 -0.04 2.40 2.43 2x9yA1 GLN 215 HG3 0.11 0.21 -0.25 -0.04 2.39 2.42 2x9yA1 GLN 215 HE21 0.21 0.04 0.01 -0.04 6.97 7.19 2x9yA1 GLN 215 HE22 0.12 0.02 0.04 -0.04 7.69 7.83 2x9yA1 VAL 216 H 0.08 0.40 0.18 -0.55 8.24 8.34 2x9yA1 VAL 216 HA -0.04 -0.01 0.26 -0.75 4.13 3.58 2x9yA1 VAL 216 HB -0.20 0.00 0.06 -0.04 2.12 1.95 2x9yA1 VAL 216 HG13 -0.14 0.08 -0.22 -0.04 0.97 0.64 2x9yA1 VAL 216 HG23 -0.02 -0.02 0.03 -0.04 0.95 0.90 2x9yA1 GLY 217 H -0.07 0.67 0.34 -0.55 8.43 8.82 2x9yA1 GLY 217 HA2 -0.08 0.05 0.51 -0.51 4.01 3.98 2x9yA1 GLY 217 HA3 -0.10 0.02 0.91 -0.51 4.01 4.33 2x9yA1 ASP 218 H -0.03 0.49 -0.12 -0.55 8.40 8.20 2x9yA1 ASP 218 HA -0.02 -0.00 0.51 -0.75 4.63 4.36 2x9yA1 ASP 218 HB2 -0.00 0.07 0.11 -0.04 2.71 2.85 2x9yA1 ASP 218 HB3 -0.05 -0.00 -0.08 -0.04 2.70 2.53 2x9yA1 VAL 219 H -0.06 0.11 0.22 -0.55 8.24 7.96 2x9yA1 VAL 219 HA -0.10 0.25 0.97 -0.75 4.13 4.49 2x9yA1 VAL 219 HB -0.06 -0.06 0.19 -0.04 2.12 2.15 2x9yA1 VAL 219 HG13 -0.07 -0.01 -0.20 -0.04 0.97 0.65 2x9yA1 VAL 219 HG23 -0.05 0.02 0.02 -0.04 0.95 0.89 2x9yA1 VAL 220 H -0.17 0.71 0.32 -0.55 8.24 8.55 2x9yA1 VAL 220 HA -0.40 0.10 0.73 -0.75 4.13 3.80 2x9yA1 VAL 220 HB -0.24 -0.07 0.06 -0.04 2.12 1.82 2x9yA1 VAL 220 HG13 -0.59 0.00 -0.20 -0.04 0.97 0.14 2x9yA1 VAL 220 HG23 -0.53 0.03 -0.13 -0.04 0.95 0.27 2x9yA1 GLU 221 H -0.26 0.18 0.21 -0.55 8.60 8.18 2x9yA1 GLU 221 HA -0.18 0.22 1.11 -0.75 4.29 4.68 2x9yA1 GLU 221 HB2 -0.10 -0.04 0.22 -0.04 2.09 2.12 2x9yA1 GLU 221 HB3 -0.09 0.05 0.08 -0.04 1.99 1.99 2x9yA1 GLU 221 HG2 -0.10 0.02 -0.20 -0.04 2.34 2.02 2x9yA1 GLU 221 HG3 -0.10 0.06 -0.06 -0.04 2.34 2.21 2x9yA1 TYR 222 H -0.20 0.67 0.42 -0.55 8.29 8.63 2x9yA1 TYR 222 HA -0.05 0.18 0.92 -0.75 4.56 4.86 2x9yA1 TYR 222 HB2 -0.99 -0.01 -0.10 -0.04 3.06 1.92 2x9yA1 TYR 222 HB3 -0.35 -0.01 -0.05 -0.04 2.98 2.54 2x9yA1 TYR 222 HD2 -0.02 0.04 -0.26 -0.04 7.15 6.87 2x9yA1 TYR 222 HE2 0.09 0.01 -0.23 -0.04 6.85 6.68 2x9yA1 GLU 223 H 0.05 0.47 0.23 -0.55 8.60 8.81 2x9yA1 GLU 223 HA -0.05 0.22 0.92 -0.75 4.29 4.63 2x9yA1 GLU 223 HB2 -0.02 -0.01 -0.30 -0.04 2.09 1.72 2x9yA1 GLU 223 HB3 0.01 -0.01 -0.13 -0.04 1.99 1.81 2x9yA1 GLU 223 HG2 -0.02 0.03 -0.32 -0.04 2.34 1.99 2x9yA1 GLU 223 HG3 -0.03 0.06 -0.07 -0.04 2.34 2.26 2x9yA1 ILE 224 H 0.00 0.91 0.40 -0.55 8.25 9.01 2x9yA1 ILE 224 HA 0.02 0.28 1.22 -0.75 4.18 4.94 2x9yA1 ILE 224 HB -0.03 -0.06 0.18 -0.04 1.89 1.93 2x9yA1 ILE 224 HG12 0.12 0.03 -0.08 -0.04 1.49 1.51 2x9yA1 ILE 224 HG13 0.20 -0.08 -0.26 -0.04 1.21 1.02 2x9yA1 ILE 224 HG23 0.10 0.01 -0.19 -0.04 0.93 0.80 2x9yA1 ILE 224 HD13 0.29 -0.01 -0.15 -0.04 0.88 0.98 2x9yA1 VAL 225 H -0.00 0.60 0.30 -0.55 8.24 8.59 2x9yA1 VAL 225 HA -0.05 0.32 1.17 -0.75 4.13 4.81 2x9yA1 VAL 225 HB -0.01 -0.08 0.00 -0.04 2.12 1.99 2x9yA1 VAL 225 HG13 -0.02 0.00 -0.22 -0.04 0.97 0.69 2x9yA1 VAL 225 HG23 -0.02 0.01 -0.24 -0.04 0.95 0.65 2x9yA1 THR 226 H -0.03 0.68 0.37 -0.55 8.28 8.75 2x9yA1 THR 226 HA -0.03 0.32 1.20 -0.75 4.39 5.12 2x9yA1 THR 226 HB 0.10 -0.07 0.11 -0.04 4.32 4.42 2x9yA1 THR 226 HG23 -0.43 0.01 -0.14 -0.04 1.22 0.62 2x9yA1 LYS 227 H -0.04 0.77 0.37 -0.55 8.42 8.97 2x9yA1 LYS 227 HA -0.00 0.28 1.08 -0.75 4.32 4.93 2x9yA1 LYS 227 HB2 -0.01 -0.08 0.21 -0.04 1.87 1.95 2x9yA1 LYS 227 HB3 0.00 0.04 -0.04 -0.04 1.79 1.74 2x9yA1 LYS 227 HG2 -0.01 -0.06 -0.23 -0.04 1.46 1.13 2x9yA1 LYS 227 HG3 -0.00 -0.02 -0.09 -0.04 1.46 1.30 2x9yA1 LYS 227 HD2 -0.00 0.03 -0.14 -0.04 1.69 1.55 2x9yA1 LYS 227 HD3 -0.01 0.03 -0.11 -0.04 1.68 1.55 2x9yA1 LYS 227 HE2 -0.01 -0.04 -0.14 -0.04 2.99 2.77 2x9yA1 LYS 227 HE3 -0.00 -0.00 -0.10 -0.04 2.99 2.84 2x9yA1 ILE 228 H 0.02 0.75 0.32 -0.55 8.25 8.79 2x9yA1 ILE 228 HA 0.07 0.17 0.95 -0.75 4.18 4.61 2x9yA1 ILE 228 HB 0.06 -0.05 0.19 -0.04 1.89 2.04 2x9yA1 ILE 228 HG12 0.24 0.02 -0.04 -0.04 1.49 1.67 2x9yA1 ILE 228 HG13 0.08 -0.09 -0.25 -0.04 1.21 0.91 2x9yA1 ILE 228 HG23 -0.00 0.06 -0.05 -0.04 0.93 0.89 2x9yA1 ILE 228 HD13 0.24 -0.01 -0.07 -0.04 0.88 1.00 2x9yA1 PRO 229 HA 0.01 -0.04 0.27 -0.51 4.44 4.17 2x9yA1 PRO 229 HB2 0.01 0.08 -0.18 -0.04 2.28 2.15 2x9yA1 PRO 229 HB3 0.03 0.00 -0.06 -0.04 2.02 1.95 2x9yA1 PRO 229 HG2 0.13 0.19 -0.16 -0.04 2.03 2.15 2x9yA1 PRO 229 HG3 0.06 0.14 -0.44 -0.04 2.03 1.74 2x9yA1 PRO 229 HD2 0.10 0.05 0.12 -0.04 3.68 3.91 2x9yA1 PRO 229 HD3 0.09 0.16 0.21 -0.04 3.65 4.07 2x9yA1 ALA 230 H -0.00 0.03 0.02 -0.55 8.40 7.90 2x9yA1 ALA 230 HA -0.02 0.18 0.39 -0.75 4.34 4.13 2x9yA1 ALA 230 HB3 -0.01 -0.03 -0.17 -0.04 1.41 1.17 2x9yA1 LEU 231 H -0.03 0.33 0.26 -0.55 8.37 8.38 2x9yA1 LEU 231 HA -0.04 -0.09 0.36 -0.75 4.35 3.82 2x9yA1 LEU 231 HB2 -0.02 0.23 0.05 -0.04 1.64 1.85 2x9yA1 LEU 231 HB3 -0.02 -0.05 0.15 -0.04 1.64 1.68 2x9yA1 LEU 231 HG -0.01 -0.02 -0.36 -0.04 1.64 1.21 2x9yA1 LEU 231 HD13 -0.00 -0.01 -0.06 -0.04 0.93 0.82 2x9yA1 LEU 231 HD23 -0.01 0.00 -0.13 -0.04 0.89 0.71 2x9yA1 ALA 232 H -0.12 0.14 -0.06 -0.55 8.40 7.81 2x9yA1 ALA 232 HA -0.18 0.15 0.59 -0.75 4.34 4.14 2x9yA1 ALA 232 HB3 -0.65 0.05 0.05 -0.04 1.41 0.82 2x9yA1 ASN 233 H -0.17 0.16 0.02 -0.55 8.53 7.99 2x9yA1 ASN 233 HA -0.06 0.15 0.63 -0.75 4.76 4.73 2x9yA1 ASN 233 HB2 -0.02 0.06 -0.16 -0.04 2.88 2.72 2x9yA1 ASN 233 HB3 0.01 -0.02 0.14 -0.04 2.79 2.89 2x9yA1 ASN 233 HD21 0.01 -0.02 0.02 -0.04 7.03 7.00 2x9yA1 ASN 233 HD22 0.02 -0.02 0.07 -0.04 7.74 7.76 2x9yA1 TYR 234 H -0.15 0.11 -0.09 -0.55 8.29 7.61 2x9yA1 TYR 234 HA 0.01 0.08 0.36 -0.75 4.56 4.26 2x9yA1 TYR 234 HB2 0.05 -0.02 -0.05 -0.04 3.06 3.00 2x9yA1 TYR 234 HB3 0.03 0.11 0.05 -0.04 2.98 3.13 2x9yA1 TYR 234 HD2 0.10 -0.00 -0.15 -0.04 7.15 7.06 2x9yA1 TYR 234 HE2 0.11 0.03 -0.00 -0.04 6.85 6.95 2x9yA1 ALA 235 H 0.06 0.53 0.42 -0.55 8.40 8.86 2x9yA1 ALA 235 HA 0.03 0.09 0.68 -0.75 4.34 4.39 2x9yA1 ALA 235 HB3 -0.02 0.03 -0.30 -0.04 1.41 1.08 2x9yA1 THR 236 H -0.02 0.31 0.07 -0.55 8.28 8.10 2x9yA1 THR 236 HA -0.06 0.18 0.76 -0.75 4.39 4.51 2x9yA1 THR 236 HB -0.22 0.01 0.01 -0.04 4.32 4.08 2x9yA1 THR 236 HG23 -0.23 0.06 -0.09 -0.04 1.22 0.92 2x9yA1 ALA 237 H -0.04 0.23 0.04 -0.55 8.40 8.08 2x9yA1 ALA 237 HA -0.48 0.18 0.63 -0.75 4.34 3.92 2x9yA1 ALA 237 HB3 0.11 -0.01 0.04 -0.04 1.41 1.51 2x9yA1 ASN 238 H -0.63 0.77 0.24 -0.55 8.53 8.37 2x9yA1 ASN 238 HA 0.05 0.26 1.24 -0.75 4.76 5.55 2x9yA1 ASN 238 HB2 -0.22 0.04 0.14 -0.04 2.88 2.80 2x9yA1 ASN 238 HB3 -0.06 0.02 -0.03 -0.04 2.79 2.68 2x9yA1 ASN 238 HD21 -0.14 -0.01 -0.02 -0.04 7.03 6.82 2x9yA1 ASN 238 HD22 -0.16 0.10 -0.05 -0.04 7.74 7.59 2x9yA1 TRP 239 H 0.57 0.62 0.40 -0.55 7.97 9.02 2x9yA1 TRP 239 HA 0.13 0.35 1.13 -0.75 4.62 5.47 2x9yA1 TRP 239 HB2 0.10 -0.06 0.14 -0.04 3.23 3.37 2x9yA1 TRP 239 HB3 0.03 -0.01 -0.02 -0.04 3.23 3.19 2x9yA1 TRP 239 HD1 0.01 0.00 -0.13 -0.04 7.22 7.06 2x9yA1 TRP 239 HE1 -0.44 -0.01 -0.15 -0.04 10.20 9.56 2x9yA1 TRP 239 HE3 0.14 0.21 0.04 -0.04 7.59 7.94 2x9yA1 TRP 239 HZ2 -0.31 -0.00 -0.12 -0.04 7.44 6.96 2x9yA1 TRP 239 HZ3 0.13 -0.01 -0.09 -0.04 7.13 7.12 2x9yA1 TRP 239 HH2 0.08 0.00 -0.12 -0.04 7.19 7.11 2x9yA1 SER 240 H 0.05 0.51 0.39 -0.55 8.46 8.86 2x9yA1 SER 240 HA -0.24 0.22 1.11 -0.75 4.49 4.83 2x9yA1 SER 240 HB2 -0.05 0.04 -0.04 -0.04 3.95 3.86 2x9yA1 SER 240 HB3 -0.08 -0.08 0.13 -0.04 3.93 3.86 2x9yA1 ASP 241 H -0.63 0.68 0.38 -0.55 8.40 8.28 2x9yA1 ASP 241 HA -0.24 0.49 0.98 -0.75 4.63 5.10 2x9yA1 ASP 241 HB2 -0.51 -0.03 -0.21 -0.04 2.71 1.91 2x9yA1 ASP 241 HB3 -0.86 -0.11 0.03 -0.04 2.70 1.72 2x9yA1 ARG 242 H -0.16 0.54 0.30 -0.55 8.46 8.60 2x9yA1 ARG 242 HA -0.13 0.23 0.96 -0.75 4.34 4.65 2x9yA1 ARG 242 HB2 -0.11 0.18 0.10 -0.04 1.90 2.03 2x9yA1 ARG 242 HB3 -0.07 0.01 0.05 -0.04 1.80 1.74 2x9yA1 ARG 242 HG2 -0.13 -0.10 -0.42 -0.04 1.67 0.99 2x9yA1 ARG 242 HG3 -0.07 0.04 -0.18 -0.04 1.67 1.42 2x9yA1 ARG 242 HD2 -0.05 -0.03 -0.06 -0.04 3.22 3.03 2x9yA1 ARG 242 HD3 -0.12 0.10 -0.05 -0.04 3.22 3.12 2x9yA1 MET 243 H -0.03 0.76 0.41 -0.55 8.47 9.06 2x9yA1 MET 243 HA -0.02 0.20 1.19 -0.75 4.52 5.13 2x9yA1 MET 243 HB2 0.07 0.07 0.04 -0.04 2.15 2.28 2x9yA1 MET 243 HB3 0.06 0.01 0.05 -0.04 2.03 2.11 2x9yA1 MET 243 HG2 0.00 -0.07 -0.16 -0.04 2.63 2.36 2x9yA1 MET 243 HG3 0.01 -0.04 -0.25 -0.04 2.56 2.24 2x9yA1 MET 243 HE3 0.40 -0.02 -0.24 -0.04 2.10 2.20 2x9yA1 THR 244 H 0.00 0.60 0.35 -0.55 8.28 8.69 2x9yA1 THR 244 HA -0.01 0.10 0.58 -0.75 4.39 4.30 2x9yA1 THR 244 HB -0.02 -0.11 0.15 -0.04 4.32 4.31 2x9yA1 THR 244 HG23 -0.04 0.06 -0.06 -0.04 1.22 1.14 2x9yA1 GLU 245 H -0.00 0.12 0.13 -0.55 8.60 8.30 2x9yA1 GLU 245 HA 0.02 0.20 0.18 -0.75 4.29 3.93 2x9yA1 GLU 245 HB2 0.01 0.01 0.04 -0.04 2.09 2.10 2x9yA1 GLU 245 HB3 0.01 0.02 0.08 -0.04 1.99 2.06 2x9yA1 GLU 245 HG2 -0.01 -0.04 0.04 -0.04 2.34 2.29 2x9yA1 GLU 245 HG3 -0.00 0.02 -0.20 -0.04 2.34 2.12 2x9yA1 GLY 246 H 0.00 0.05 -0.29 -0.55 8.43 7.65 2x9yA1 GLY 246 HA2 -0.00 -0.05 0.30 -0.51 4.01 3.75 2x9yA1 GLY 246 HA3 0.00 0.02 0.21 -0.51 4.01 3.73 2x9yA1 LEU 247 H 0.04 0.48 -0.44 -0.55 8.37 7.90 2x9yA1 LEU 247 HA 0.05 0.18 0.81 -0.75 4.35 4.63 2x9yA1 LEU 247 HB2 0.08 0.09 -0.03 -0.04 1.64 1.74 2x9yA1 LEU 247 HB3 0.14 -0.04 -0.25 -0.04 1.64 1.45 2x9yA1 LEU 247 HG 0.07 -0.07 -0.34 -0.04 1.64 1.27 2x9yA1 LEU 247 HD13 0.21 0.00 -0.31 -0.04 0.93 0.79 2x9yA1 LEU 247 HD23 0.07 0.01 -0.31 -0.04 0.89 0.62 2x9yA1 ALA 248 H 0.05 0.57 0.18 -0.55 8.40 8.66 2x9yA1 ALA 248 HA 0.09 0.26 1.00 -0.75 4.34 4.94 2x9yA1 ALA 248 HB3 0.03 0.00 0.09 -0.04 1.41 1.49 2x9yA1 PHE 249 H 0.25 0.33 0.12 -0.55 8.34 8.49 2x9yA1 PHE 249 HA 0.14 0.00 0.47 -0.75 4.62 4.48 2x9yA1 PHE 249 HB2 0.11 -0.02 -0.10 -0.04 3.15 3.10 2x9yA1 PHE 249 HB3 0.07 0.15 0.05 -0.04 3.06 3.29 2x9yA1 PHE 249 HD2 0.14 0.08 -0.10 -0.04 7.28 7.37 2x9yA1 PHE 249 HE2 -0.13 -0.08 -0.11 -0.04 7.38 7.02 2x9yA1 PHE 249 HZ -0.31 -0.10 -0.10 -0.04 7.32 6.77 2x9yA1 ASN 250 H -0.20 0.56 0.41 -0.55 8.53 8.76 2x9yA1 ASN 250 HA -0.24 0.08 0.69 -0.75 4.76 4.54 2x9yA1 ASN 250 HB2 -0.17 0.01 0.11 -0.04 2.88 2.79 2x9yA1 ASN 250 HB3 -0.17 0.03 -0.03 -0.04 2.79 2.57 2x9yA1 ASN 250 HD21 -0.05 0.04 -0.30 -0.04 7.03 6.68 2x9yA1 ASN 250 HD22 -0.05 -0.08 -0.25 -0.04 7.74 7.32 2x9yA1 LYS 251 H -0.29 0.22 0.15 -0.55 8.42 7.94 2x9yA1 LYS 251 HA -0.46 0.00 0.41 -0.75 4.32 3.52 2x9yA1 LYS 251 HB2 -0.07 0.01 0.07 -0.04 1.87 1.84 2x9yA1 LYS 251 HB3 0.00 -0.03 0.05 -0.04 1.79 1.77 2x9yA1 LYS 251 HG2 0.18 0.03 -0.05 -0.04 1.46 1.58 2x9yA1 LYS 251 HG3 -0.01 0.10 0.05 -0.04 1.46 1.57 2x9yA1 LYS 251 HD2 0.04 -0.02 -0.03 -0.04 1.69 1.65 2x9yA1 LYS 251 HD3 0.10 -0.04 -0.04 -0.04 1.68 1.66 2x9yA1 LYS 251 HE2 0.22 0.09 -0.36 -0.04 2.99 2.90 2x9yA1 LYS 251 HE3 0.11 0.02 -0.18 -0.04 2.99 2.90 2x9yA1 GLY 252 H -0.05 0.11 0.17 -0.55 8.43 8.12 2x9yA1 GLY 252 HA2 -0.02 0.02 0.36 -0.51 4.01 3.86 2x9yA1 GLY 252 HA3 -0.05 0.15 0.50 -0.51 4.01 4.10 2x9yA1 THR 253 H -0.17 0.28 -0.25 -0.55 8.28 7.58 2x9yA1 THR 253 HA -0.04 0.20 0.69 -0.75 4.39 4.49 2x9yA1 THR 253 HB -0.02 -0.06 0.11 -0.04 4.32 4.31 2x9yA1 THR 253 HG23 -0.10 0.03 -0.17 -0.04 1.22 0.94 2x9yA1 VAL 254 H -0.04 -0.05 -0.19 -0.55 8.24 7.41 2x9yA1 VAL 254 HA -0.01 0.33 0.62 -0.75 4.13 4.32 2x9yA1 VAL 254 HB -0.09 -0.05 0.06 -0.04 2.12 1.99 2x9yA1 VAL 254 HG13 -0.31 0.00 -0.21 -0.04 0.97 0.42 2x9yA1 VAL 254 HG23 -0.34 -0.03 -0.04 -0.04 0.95 0.50 2x9yA1 LYS 255 H -0.03 0.65 0.41 -0.55 8.42 8.91 2x9yA1 LYS 255 HA -0.06 0.14 0.84 -0.75 4.32 4.49 2x9yA1 VAL 256 H -0.13 0.22 0.16 -0.55 8.24 7.94 2x9yA1 VAL 256 HA -0.20 0.43 1.19 -0.75 4.13 4.80 2x9yA1 VAL 256 HB -0.39 0.00 -0.17 -0.04 2.12 1.52 2x9yA1 VAL 256 HG13 -0.66 -0.03 -0.05 -0.04 0.97 0.19 2x9yA1 VAL 256 HG23 -0.38 0.01 -0.21 -0.04 0.95 0.32 2x9yA1 THR 257 H -0.15 0.70 0.36 -0.55 8.28 8.64 2x9yA1 THR 257 HA -0.06 0.21 0.86 -0.75 4.39 4.64 2x9yA1 THR 257 HB -0.04 -0.09 -0.32 -0.04 4.32 3.83 2x9yA1 THR 257 HG23 -0.05 0.00 -0.35 -0.04 1.22 0.78 2x9yA1 VAL 258 H -0.03 0.77 0.19 -0.55 8.24 8.62 2x9yA1 VAL 258 HA -0.03 0.32 0.99 -0.75 4.13 4.66 2x9yA1 VAL 258 HB 0.01 0.04 0.12 -0.04 2.12 2.24 2x9yA1 VAL 258 HG13 0.02 0.03 -0.08 -0.04 0.97 0.90 2x9yA1 VAL 258 HG23 0.01 -0.01 -0.15 -0.04 0.95 0.75 2x9yA1 ASP 259 H -0.01 0.59 0.29 -0.55 8.40 8.72 2x9yA1 ASP 259 HA -0.01 -0.00 0.37 -0.75 4.63 4.24 2x9yA1 ASP 259 HB2 -0.00 0.11 -0.04 -0.04 2.71 2.74 2x9yA1 ASP 259 HB3 -0.00 0.01 0.24 -0.04 2.70 2.90 2x9yA1 ASP 260 H -0.02 0.07 -0.30 -0.55 8.40 7.60 2x9yA1 ASP 260 HA -0.02 -0.04 0.16 -0.75 4.63 3.97 2x9yA1 VAL 261 H -0.02 0.32 -0.56 -0.55 8.24 7.43 2x9yA1 VAL 261 HA -0.01 0.10 0.94 -0.75 4.13 4.41 2x9yA1 VAL 261 HB -0.00 0.17 0.17 -0.04 2.12 2.41 2x9yA1 VAL 261 HG13 0.01 0.01 -0.07 -0.04 0.97 0.87 2x9yA1 VAL 261 HG23 -0.00 0.05 -0.08 -0.04 0.95 0.88 2x9yA1 ALA 262 H -0.01 0.12 0.08 -0.55 8.40 8.04 2x9yA1 ALA 262 HA -0.03 0.11 0.47 -0.75 4.34 4.14 2x9yA1 ALA 262 HB3 0.00 0.00 0.09 -0.04 1.41 1.46 2x9yA1 LEU 263 H -0.01 0.45 0.34 -0.55 8.37 8.61 2x9yA1 LEU 263 HA 0.05 0.10 0.68 -0.75 4.35 4.43 2x9yA1 LEU 263 HB2 0.04 0.00 0.04 -0.04 1.64 1.67 2x9yA1 LEU 263 HB3 0.21 0.01 -0.03 -0.04 1.64 1.79 2x9yA1 LEU 263 HG -0.04 -0.02 -0.15 -0.04 1.64 1.39 2x9yA1 LEU 263 HD13 -0.07 -0.00 -0.17 -0.04 0.93 0.65 2x9yA1 LEU 263 HD23 0.06 0.01 -0.01 -0.04 0.89 0.91 2x9yA1 GLU 264 H 0.08 0.12 0.16 -0.55 8.60 8.41 2x9yA1 GLU 264 HA 0.05 0.15 0.65 -0.75 4.29 4.40 2x9yA1 GLU 264 HB2 0.04 -0.04 0.08 -0.04 2.09 2.13 2x9yA1 GLU 264 HB3 0.02 -0.05 0.11 -0.04 1.99 2.03 2x9yA1 GLU 264 HG2 0.03 0.05 0.02 -0.04 2.34 2.39 2x9yA1 GLU 264 HG3 0.04 0.06 0.07 -0.04 2.34 2.46 2x9yA1 ALA 265 H -0.00 0.17 0.17 -0.55 8.40 8.20 2x9yA1 ALA 265 HA -0.23 0.14 0.27 -0.75 4.34 3.76 2x9yA1 ALA 265 HB3 -0.08 0.02 0.13 -0.04 1.41 1.44 2x9yA1 GLY 266 H -0.04 0.03 -0.31 -0.55 8.43 7.57 2x9yA1 GLY 266 HA2 -0.08 0.17 0.51 -0.51 4.01 4.10 2x9yA1 GLY 266 HA3 -0.03 -0.00 0.29 -0.51 4.01 3.76 2x9yA1 ASP 267 H 0.01 0.70 -0.35 -0.55 8.40 8.21 2x9yA1 ASP 267 HA 0.08 -0.12 0.53 -0.75 4.63 4.37 2x9yA1 ASP 267 HB2 0.24 0.17 0.01 -0.04 2.71 3.09 2x9yA1 ASP 267 HB3 0.15 -0.05 0.10 -0.04 2.70 2.86 2x9yA1 TYR 268 H -0.14 0.42 -0.25 -0.55 8.29 7.76 2x9yA1 TYR 268 HA 0.08 0.13 0.60 -0.75 4.56 4.62 2x9yA1 TYR 268 HB2 0.10 0.00 -0.17 -0.04 3.06 2.95 2x9yA1 TYR 268 HB3 0.08 0.06 -0.31 -0.04 2.98 2.77 2x9yA1 TYR 268 HD2 0.04 -0.05 -0.40 -0.04 7.15 6.70 2x9yA1 TYR 268 HE2 -0.00 0.02 -0.21 -0.04 6.85 6.62 2x9yA1 ALA 269 H 0.19 0.69 0.25 -0.55 8.40 8.99 2x9yA1 ALA 269 HA -0.03 0.16 0.97 -0.75 4.34 4.69 2x9yA1 ALA 269 HB3 0.04 0.00 0.06 -0.04 1.41 1.48 2x9yA1 LEU 270 H 0.06 0.21 0.13 -0.55 8.37 8.23 2x9yA1 LEU 270 HA 0.20 0.37 1.14 -0.75 4.35 5.31 2x9yA1 LEU 270 HB2 0.36 -0.02 -0.02 -0.04 1.64 1.92 2x9yA1 LEU 270 HB3 0.15 -0.02 0.15 -0.04 1.64 1.88 2x9yA1 LEU 270 HG 0.12 -0.02 -0.31 -0.04 1.64 1.39 2x9yA1 LEU 270 HD13 0.07 0.08 -0.09 -0.04 0.93 0.95 2x9yA1 LEU 270 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.83 2x9yA1 THR 271 H 0.13 0.59 0.36 -0.55 8.28 8.81 2x9yA1 THR 271 HA 0.07 0.16 1.01 -0.75 4.39 4.88 2x9yA1 THR 271 HB 0.05 0.03 0.04 -0.04 4.32 4.40 2x9yA1 THR 271 HG23 0.05 0.01 -0.13 -0.04 1.22 1.10 2x9yA1 GLU 272 H 0.09 0.20 0.20 -0.55 8.60 8.54 2x9yA1 GLU 272 HA 0.10 0.21 1.13 -0.75 4.29 4.98 2x9yA1 GLU 272 HB2 0.16 -0.03 0.11 -0.04 2.09 2.29 2x9yA1 GLU 272 HB3 0.37 0.11 0.04 -0.04 1.99 2.47 2x9yA1 GLU 272 HG2 0.37 0.05 -0.07 -0.04 2.34 2.66 2x9yA1 GLU 272 HG3 0.16 -0.04 -0.31 -0.04 2.34 2.11 2x9yA1 VAL 273 H 0.05 0.84 0.43 -0.55 8.24 9.01 2x9yA1 VAL 273 HA 0.07 0.18 0.85 -0.75 4.13 4.49 2x9yA1 VAL 273 HB 0.03 -0.10 0.17 -0.04 2.12 2.17 2x9yA1 VAL 273 HG13 0.03 0.01 -0.16 -0.04 0.97 0.81 2x9yA1 VAL 273 HG23 -0.02 -0.03 -0.16 -0.04 0.95 0.69 2x9yA1 ALA 274 H 0.06 0.16 0.19 -0.55 8.40 8.27 2x9yA1 ALA 274 HA 0.12 0.10 0.43 -0.75 4.34 4.23 2x9yA1 ALA 274 HB3 0.05 0.01 0.14 -0.04 1.41 1.58 2x9yA1 THR 275 H 0.04 0.00 -0.25 -0.55 8.28 7.53 2x9yA1 THR 275 HA 0.08 0.26 0.78 -0.75 4.39 4.75 2x9yA1 THR 275 HB 0.01 0.16 0.26 -0.04 4.32 4.70 2x9yA1 THR 275 HG23 0.03 -0.01 -0.04 -0.04 1.22 1.16 2x9yA1 GLY 276 H 0.00 0.38 -0.15 -0.55 8.43 8.12 2x9yA1 GLY 276 HA2 -0.40 -0.04 0.24 -0.51 4.01 3.30 2x9yA1 GLY 276 HA3 -0.25 0.42 0.83 -0.51 4.01 4.51 2x9yA1 PHE 277 H -0.63 0.49 0.38 -0.55 8.34 8.03 2x9yA1 PHE 277 HA -0.23 0.14 0.94 -0.75 4.62 4.73 2x9yA1 PHE 277 HB2 -0.20 0.09 0.09 -0.04 3.15 3.08 2x9yA1 PHE 277 HB3 -0.83 -0.02 -0.23 -0.04 3.06 1.93 2x9yA1 PHE 277 HD2 -0.72 0.00 -0.33 -0.04 7.28 6.19 2x9yA1 PHE 277 HE2 -0.89 -0.00 -0.21 -0.04 7.38 6.24 2x9yA1 PHE 277 HZ -0.43 0.01 -0.23 -0.04 7.32 6.62 2x9yA1 ASP 278 H 0.12 0.65 0.42 -0.55 8.40 9.04 2x9yA1 ASP 278 HA -0.09 0.24 1.00 -0.75 4.63 5.03 2x9yA1 ASP 278 HB2 0.04 -0.07 0.18 -0.04 2.71 2.82 2x9yA1 ASP 278 HB3 0.03 0.05 0.05 -0.04 2.70 2.80 2x9yA1 LEU 279 H 0.22 0.84 0.34 -0.55 8.37 9.22 2x9yA1 LEU 279 HA 0.26 0.22 1.01 -0.75 4.35 5.09 2x9yA1 LEU 279 HB2 0.35 -0.03 -0.11 -0.04 1.64 1.80 2x9yA1 LEU 279 HB3 0.37 -0.04 0.14 -0.04 1.64 2.07 2x9yA1 LEU 279 HG 0.13 0.01 -0.14 -0.04 1.64 1.60 2x9yA1 LEU 279 HD13 -0.30 -0.01 -0.16 -0.04 0.93 0.42 2x9yA1 LEU 279 HD23 0.07 0.00 -0.34 -0.04 0.89 0.57 2x9yA1 LYS 280 H 0.23 0.53 0.23 -0.55 8.42 8.87 2x9yA1 LYS 280 HA 0.22 0.24 1.17 -0.75 4.32 5.19 2x9yA1 LYS 280 HB2 0.10 -0.07 0.15 -0.04 1.87 2.01 2x9yA1 LYS 280 HB3 0.06 0.09 0.03 -0.04 1.79 1.93 2x9yA1 LYS 280 HG2 0.04 0.04 -0.12 -0.04 1.46 1.38 2x9yA1 LYS 280 HG3 0.10 -0.07 -0.26 -0.04 1.46 1.18 2x9yA1 LYS 280 HD2 0.02 -0.04 -0.04 -0.04 1.69 1.60 2x9yA1 LYS 280 HD3 -0.02 0.04 -0.04 -0.04 1.68 1.62 2x9yA1 LYS 280 HE2 -0.03 0.06 -0.08 -0.04 2.99 2.90 2x9yA1 LYS 280 HE3 0.02 -0.05 -0.08 -0.04 2.99 2.83 2x9yA1 LEU 281 H 0.27 0.55 0.31 -0.55 8.37 8.96 2x9yA1 LEU 281 HA 0.26 0.12 0.71 -0.75 4.35 4.68 2x9yA1 LEU 281 HB2 0.24 0.08 0.22 -0.04 1.64 2.13 2x9yA1 LEU 281 HB3 0.17 0.03 -0.03 -0.04 1.64 1.77 2x9yA1 LEU 281 HG 0.22 -0.07 -0.06 -0.04 1.64 1.68 2x9yA1 LEU 281 HD13 0.42 0.01 -0.07 -0.04 0.93 1.26 2x9yA1 LEU 281 HD23 0.34 0.00 -0.14 -0.04 0.89 1.05 2x9yA1 THR 282 H 0.14 0.34 0.09 -0.55 8.28 8.30 2x9yA1 THR 282 HA 0.05 0.25 0.72 -0.75 4.39 4.65 2x9yA1 THR 282 HB 0.03 -0.08 0.20 -0.04 4.32 4.43 2x9yA1 THR 282 HG23 0.04 0.04 -0.20 -0.04 1.22 1.07 2x9yA1 ASP 283 H 0.03 0.19 0.15 -0.55 8.40 8.23 2x9yA1 ASP 283 HA 0.04 0.18 0.46 -0.75 4.63 4.56 2x9yA1 ASP 283 HB2 0.02 -0.04 0.12 -0.04 2.71 2.77 2x9yA1 ASP 283 HB3 0.02 0.05 0.02 -0.04 2.70 2.75 2x9yA1 ALA 284 H 0.04 0.10 -0.09 -0.55 8.40 7.90 2x9yA1 ALA 284 HA 0.03 0.13 0.47 -0.75 4.34 4.22 2x9yA1 ALA 284 HB3 0.03 0.04 -0.02 -0.04 1.41 1.42 2x9yA1 GLY 285 H 0.08 0.01 -0.19 -0.55 8.43 7.79 2x9yA1 GLY 285 HA2 0.10 0.02 0.51 -0.51 4.01 4.13 2x9yA1 GLY 285 HA3 0.14 0.31 0.46 -0.51 4.01 4.42 2x9yA1 LEU 286 H 0.09 0.74 -0.08 -0.55 8.37 8.57 2x9yA1 LEU 286 HA 0.12 -0.00 0.30 -0.75 4.35 4.01 2x9yA1 LEU 286 HB2 0.06 0.02 0.05 -0.04 1.64 1.74 2x9yA1 LEU 286 HB3 0.07 0.05 -0.07 -0.04 1.64 1.66 2x9yA1 LEU 286 HG 0.11 0.03 -0.17 -0.04 1.64 1.57 2x9yA1 LEU 286 HD13 0.05 0.01 -0.30 -0.04 0.93 0.65 2x9yA1 LEU 286 HD23 0.15 -0.03 -0.22 -0.04 0.89 0.74 2x9yA1 ALA 287 H 0.05 0.30 -0.54 -0.55 8.40 7.67 2x9yA1 ALA 287 HA 0.02 0.04 0.41 -0.75 4.34 4.06 2x9yA1 ALA 287 HB3 0.03 0.04 0.09 -0.04 1.41 1.53 2x9yA1 LYS 288 H 0.06 0.40 -0.36 -0.55 8.42 7.96 2x9yA1 LYS 288 HA 0.03 0.08 0.47 -0.75 4.32 4.14 2x9yA1 LYS 288 HB2 0.06 0.13 0.13 -0.04 1.87 2.15 2x9yA1 LYS 288 HB3 0.04 -0.06 0.10 -0.04 1.79 1.83 2x9yA1 LYS 288 HG2 0.03 -0.02 0.01 -0.04 1.46 1.44 2x9yA1 LYS 288 HG3 0.05 0.17 0.10 -0.04 1.46 1.74 2x9yA1 LYS 288 HD2 0.06 -0.06 0.05 -0.04 1.69 1.70 2x9yA1 LYS 288 HD3 0.03 0.02 0.04 -0.04 1.68 1.73 2x9yA1 LYS 288 HE2 0.03 0.02 0.01 -0.04 2.99 3.01 2x9yA1 LYS 288 HE3 0.04 -0.00 -0.01 -0.04 2.99 2.98 2x9yA1 VAL 289 H 0.05 0.26 -0.37 -0.55 8.24 7.64 2x9yA1 VAL 289 HA 0.03 0.16 0.92 -0.75 4.13 4.49 2x9yA1 VAL 289 HB 0.09 -0.06 0.05 -0.04 2.12 2.16 2x9yA1 VAL 289 HG13 0.13 -0.01 -0.19 -0.04 0.97 0.86 2x9yA1 VAL 289 HG23 0.13 -0.00 -0.10 -0.04 0.95 0.94 2x9yA1 ASN 290 H 0.01 0.35 -0.01 -0.55 8.53 8.33 2x9yA1 ASN 290 HA -0.11 0.03 0.77 -0.75 4.76 4.70 2x9yA1 ASN 290 HB2 -0.00 0.07 0.04 -0.04 2.88 2.95 2x9yA1 ASN 290 HB3 -0.04 0.02 0.02 -0.04 2.79 2.75 2x9yA1 ASN 290 HD21 0.06 0.37 -0.03 -0.04 7.03 7.39 2x9yA1 ASN 290 HD22 0.02 -0.05 -0.16 -0.04 7.74 7.51 2x9yA1 ASP 291 H -0.07 0.55 0.23 -0.55 8.40 8.56 2x9yA1 ASP 291 HA -0.03 -0.03 0.34 -0.75 4.63 4.16 2x9yA1 GLN 292 H -0.03 -0.01 -0.08 -0.55 8.47 7.80 2x9yA1 GLN 292 HA -0.01 0.19 0.87 -0.75 4.36 4.66 2x9yA1 GLN 292 HB2 -0.02 0.08 0.04 -0.04 2.15 2.21 2x9yA1 GLN 292 HB3 -0.01 -0.09 0.03 -0.04 2.02 1.91 2x9yA1 GLN 292 HG2 -0.01 0.06 -0.76 -0.04 2.40 1.64 2x9yA1 GLN 292 HG3 -0.00 0.04 -0.18 -0.04 2.39 2.22 2x9yA1 GLN 292 HE21 0.01 -0.14 -0.02 -0.04 6.97 6.77 2x9yA1 GLN 292 HE22 0.00 0.35 -0.21 -0.04 7.69 7.79 2x9yA1 ASN 293 H -0.00 0.19 0.15 -0.55 8.53 8.32 2x9yA1 ASN 293 HA -0.01 0.09 0.40 -0.75 4.76 4.49 2x9yA1 ALA 294 H -0.00 0.11 -0.37 -0.55 8.40 7.59 2x9yA1 ALA 294 HA -0.00 0.16 0.77 -0.75 4.34 4.51 2x9yA1 ALA 294 HB3 -0.00 0.01 -0.06 -0.04 1.41 1.31 2x9yA1 GLU 295 H 0.00 0.08 0.09 -0.55 8.60 8.23 2x9yA1 GLU 295 HA 0.00 0.25 0.45 -0.75 4.29 4.24 2x9yA1 GLU 295 HB2 0.00 -0.06 0.10 -0.04 2.09 2.09 2x9yA1 GLU 295 HB3 0.00 -0.06 0.03 -0.04 1.99 1.92 2x9yA1 GLU 295 HG2 0.01 0.07 -0.22 -0.04 2.34 2.16 2x9yA1 GLU 295 HG3 0.01 -0.02 -0.24 -0.04 2.34 2.05 2x9yA1 LYS 296 H 0.01 0.65 0.33 -0.55 8.42 8.84 2x9yA1 LYS 296 HA 0.01 0.07 0.80 -0.75 4.32 4.45 2x9yA1 LYS 296 HB2 0.03 -0.05 0.16 -0.04 1.87 1.97 2x9yA1 LYS 296 HB3 0.02 -0.04 0.05 -0.04 1.79 1.79 2x9yA1 LYS 296 HG2 0.00 0.13 0.07 -0.04 1.46 1.62 2x9yA1 LYS 296 HG3 0.01 0.07 0.12 -0.04 1.46 1.63 2x9yA1 LYS 296 HD2 0.00 -0.02 -0.26 -0.04 1.69 1.36 2x9yA1 LYS 296 HD3 0.00 -0.07 -0.06 -0.04 1.68 1.51 2x9yA1 LYS 296 HE2 0.02 0.33 0.10 -0.04 2.99 3.39 2x9yA1 LYS 296 HE3 0.01 -0.14 0.03 -0.04 2.99 2.85 2x9yA1 THR 297 H 0.00 0.11 0.23 -0.55 8.28 8.07 2x9yA1 THR 297 HA -0.00 0.37 1.13 -0.75 4.39 5.13 2x9yA1 THR 297 HB -0.01 -0.14 0.17 -0.04 4.32 4.29 2x9yA1 THR 297 HG23 -0.02 0.00 -0.18 -0.04 1.22 0.98 2x9yA1 VAL 298 H -0.01 0.83 0.38 -0.55 8.24 8.89 2x9yA1 VAL 298 HA -0.07 0.31 1.17 -0.75 4.13 4.78 2x9yA1 VAL 298 HB 0.03 -0.05 0.16 -0.04 2.12 2.21 2x9yA1 VAL 298 HG13 -0.40 0.00 -0.17 -0.04 0.97 0.36 2x9yA1 VAL 298 HG23 0.13 0.01 -0.14 -0.04 0.95 0.90 2x9yA1 LYS 299 H -0.12 0.54 0.29 -0.55 8.42 8.57 2x9yA1 LYS 299 HA -0.12 0.41 1.23 -0.75 4.32 5.09 2x9yA1 LYS 299 HB2 -0.06 -0.05 -0.08 -0.04 1.87 1.64 2x9yA1 LYS 299 HB3 -0.08 -0.09 0.06 -0.04 1.79 1.64 2x9yA1 LYS 299 HG2 -0.06 0.03 -0.18 -0.04 1.46 1.20 2x9yA1 LYS 299 HG3 -0.05 0.03 -0.07 -0.04 1.46 1.33 2x9yA1 LYS 299 HD2 -0.03 -0.01 -0.11 -0.04 1.69 1.50 2x9yA1 LYS 299 HD3 -0.04 -0.02 -0.09 -0.04 1.68 1.49 2x9yA1 LYS 299 HE2 -0.04 -0.04 -0.13 -0.04 2.99 2.74 2x9yA1 LYS 299 HE3 -0.04 0.01 -0.16 -0.04 2.99 2.76 2x9yA1 ILE 300 H -0.15 0.70 0.36 -0.55 8.25 8.61 2x9yA1 ILE 300 HA -0.17 0.34 1.17 -0.75 4.18 4.77 2x9yA1 ILE 300 HB -0.13 -0.07 0.14 -0.04 1.89 1.79 2x9yA1 ILE 300 HG12 -0.56 0.02 -0.15 -0.04 1.49 0.75 2x9yA1 ILE 300 HG13 -0.61 -0.05 -0.37 -0.04 1.21 0.14 2x9yA1 ILE 300 HG23 -0.02 0.00 -0.15 -0.04 0.93 0.71 2x9yA1 ILE 300 HD13 -1.47 -0.00 -0.12 -0.04 0.88 -0.75 2x9yA1 THR 301 H -0.03 0.63 0.37 -0.55 8.28 8.71 2x9yA1 THR 301 HA -0.04 0.21 1.03 -0.75 4.39 4.83 2x9yA1 THR 301 HB -0.05 0.09 0.22 -0.04 4.32 4.55 2x9yA1 THR 301 HG23 -0.04 -0.03 -0.10 -0.04 1.22 1.01 2x9yA1 TYR 302 H -0.19 0.54 0.32 -0.55 8.29 8.41 2x9yA1 TYR 302 HA -0.01 0.31 0.31 -0.75 4.56 4.41 2x9yA1 TYR 302 HB2 0.13 -0.05 0.02 -0.04 3.06 3.12 2x9yA1 TYR 302 HB3 -0.07 0.12 -0.06 -0.04 2.98 2.93 2x9yA1 TYR 302 HD2 0.23 0.06 -0.55 -0.04 7.15 6.84 2x9yA1 TYR 302 HE2 0.23 0.02 -0.28 -0.04 6.85 6.77 2x9yA1 SER 303 H 0.23 0.26 0.19 -0.55 8.46 8.60 2x9yA1 SER 303 HA 0.06 0.17 0.99 -0.75 4.49 4.96 2x9yA1 SER 303 HB2 -0.05 0.13 -0.00 -0.04 3.95 3.98 2x9yA1 SER 303 HB3 -0.04 -0.03 -0.20 -0.04 3.93 3.61 2x9yA1 ALA 304 H 0.05 0.64 0.37 -0.55 8.40 8.91 2x9yA1 ALA 304 HA 0.11 0.14 0.84 -0.75 4.34 4.67 2x9yA1 ALA 304 HB3 0.31 -0.02 -0.23 -0.04 1.41 1.44 2x9yA1 THR 305 H 0.04 0.65 0.26 -0.55 8.28 8.68 2x9yA1 THR 305 HA -0.05 0.30 1.15 -0.75 4.39 5.03 2x9yA1 THR 305 HB -0.02 -0.03 0.12 -0.04 4.32 4.35 2x9yA1 THR 305 HG23 -0.05 0.05 -0.22 -0.04 1.22 0.96 2x9yA1 LEU 306 H -0.08 0.50 0.18 -0.55 8.37 8.42 2x9yA1 LEU 306 HA -0.02 0.19 0.70 -0.75 4.35 4.47 2x9yA1 LEU 306 HB2 -0.09 -0.02 0.05 -0.04 1.64 1.54 2x9yA1 LEU 306 HB3 -0.06 -0.07 0.19 -0.04 1.64 1.65 2x9yA1 LEU 306 HG -0.03 0.04 -0.20 -0.04 1.64 1.41 2x9yA1 LEU 306 HD13 -0.01 0.03 -0.07 -0.04 0.93 0.84 2x9yA1 LEU 306 HD23 -0.00 0.01 -0.44 -0.04 0.89 0.42 2x9yA1 ASN 307 H -0.01 0.66 0.39 -0.55 8.53 9.02 2x9yA1 ASN 307 HA -0.05 0.28 0.97 -0.75 4.76 5.20 2x9yA1 ASN 307 HB2 -0.03 -0.14 0.20 -0.04 2.88 2.87 2x9yA1 ASN 307 HB3 -0.02 0.08 -0.01 -0.04 2.79 2.80 2x9yA1 ASN 307 HD21 0.01 0.39 -0.06 -0.04 7.03 7.33 2x9yA1 ASN 307 HD22 0.00 -0.05 -0.06 -0.04 7.74 7.59 2x9yA1 ASP 308 H -0.04 0.17 0.16 -0.55 8.40 8.14 2x9yA1 ASP 308 HA -0.05 0.15 0.32 -0.75 4.63 4.30 2x9yA1 ASP 308 HB2 -0.05 0.11 0.07 -0.04 2.71 2.80 2x9yA1 ASP 308 HB3 -0.07 0.10 0.04 -0.04 2.70 2.72 2x9yA1 LYS 309 H -0.02 -0.00 -0.54 -0.55 8.42 7.30 2x9yA1 LYS 309 HA -0.01 0.16 0.62 -0.75 4.32 4.33 2x9yA1 LYS 309 HB2 -0.01 0.08 -0.15 -0.04 1.87 1.75 2x9yA1 LYS 309 HB3 -0.01 -0.05 -0.08 -0.04 1.79 1.61 2x9yA1 LYS 309 HG2 -0.01 -0.01 -0.06 -0.04 1.46 1.35 2x9yA1 LYS 309 HG3 -0.01 -0.05 -0.18 -0.04 1.46 1.17 2x9yA1 LYS 309 HD2 -0.00 0.09 -0.04 -0.04 1.69 1.69 2x9yA1 LYS 309 HD3 0.00 -0.02 -0.05 -0.04 1.68 1.58 2x9yA1 LYS 309 HE2 -0.00 -0.02 -0.03 -0.04 2.99 2.89 2x9yA1 LYS 309 HE3 -0.01 -0.02 -0.04 -0.04 2.99 2.88 2x9yA1 ALA 310 H -0.02 0.29 -0.10 -0.55 8.40 8.02 2x9yA1 ALA 310 HA -0.02 -0.04 0.48 -0.75 4.34 4.01 2x9yA1 ALA 310 HB3 -0.02 0.03 0.05 -0.04 1.41 1.43 2x9yA1 ILE 311 H -0.03 0.17 0.18 -0.55 8.25 8.03 2x9yA1 ILE 311 HA -0.06 0.14 0.79 -0.75 4.18 4.30 2x9yA1 ILE 311 HB -0.03 -0.02 0.11 -0.04 1.89 1.91 2x9yA1 ILE 311 HG12 -0.02 0.08 0.01 -0.04 1.49 1.52 2x9yA1 ILE 311 HG13 -0.01 -0.04 0.01 -0.04 1.21 1.12 2x9yA1 ILE 311 HG23 -0.04 0.03 -0.08 -0.04 0.93 0.80 2x9yA1 ILE 311 HD13 -0.02 0.02 -0.12 -0.04 0.88 0.72 2x9yA1 VAL 312 H -0.18 0.11 0.07 -0.55 8.24 7.69 2x9yA1 VAL 312 HA -0.11 0.09 0.29 -0.75 4.13 3.64 2x9yA1 VAL 312 HB -0.82 0.00 0.03 -0.04 2.12 1.29 2x9yA1 VAL 312 HG13 -0.37 -0.01 -0.23 -0.04 0.97 0.32 2x9yA1 VAL 312 HG23 -0.29 0.01 -0.05 -0.04 0.95 0.57 2x9yA1 GLU 313 H 0.04 0.61 0.33 -0.55 8.60 9.03 2x9yA1 GLU 313 HA 0.13 0.00 0.35 -0.75 4.29 4.02 2x9yA1 GLU 313 HB2 0.01 0.15 -0.26 -0.04 2.09 1.95 2x9yA1 GLU 313 HB3 0.04 -0.01 0.18 -0.04 1.99 2.16 2x9yA1 GLU 313 HG2 0.06 0.17 0.15 -0.04 2.34 2.68 2x9yA1 GLU 313 HG3 0.06 -0.15 -0.06 -0.04 2.34 2.15 2x9yA1 VAL 314 H -0.02 0.51 -0.56 -0.55 8.24 7.62 2x9yA1 VAL 314 HA 0.01 0.16 0.95 -0.75 4.13 4.49 2x9yA1 VAL 314 HB -0.02 0.02 0.12 -0.04 2.12 2.21 2x9yA1 VAL 314 HG13 -0.03 0.00 -0.08 -0.04 0.97 0.83 2x9yA1 VAL 314 HG23 -0.01 0.01 -0.10 -0.04 0.95 0.81 2x9yA1 PRO 315 HA 0.03 0.19 0.44 -0.51 4.44 4.60 2x9yA1 PRO 315 HB2 0.02 0.22 -0.16 -0.04 2.28 2.32 2x9yA1 PRO 315 HB3 0.05 0.02 0.05 -0.04 2.02 2.10 2x9yA1 PRO 315 HG2 0.02 0.01 0.01 -0.04 2.03 2.03 2x9yA1 PRO 315 HG3 0.04 0.03 0.01 -0.04 2.03 2.08 2x9yA1 PRO 315 HD2 -0.00 -0.04 0.10 -0.04 3.68 3.69 2x9yA1 PRO 315 HD3 0.02 0.28 0.24 -0.04 3.65 4.15 2x9yA1 GLU 316 H 0.05 0.56 0.41 -0.55 8.60 9.07 2x9yA1 GLU 316 HA 0.01 0.08 0.88 -0.75 4.29 4.51 2x9yA1 GLU 316 HB2 0.05 -0.01 -0.02 -0.04 2.09 2.07 2x9yA1 GLU 316 HB3 0.04 -0.07 -0.04 -0.04 1.99 1.89 2x9yA1 GLU 316 HG2 0.01 0.16 -0.12 -0.04 2.34 2.35 2x9yA1 GLU 316 HG3 0.01 -0.02 -0.09 -0.04 2.34 2.20 2x9yA1 SER 317 H 0.02 0.09 0.25 -0.55 8.46 8.27 2x9yA1 SER 317 HA 0.07 0.12 0.83 -0.75 4.49 4.75 2x9yA1 SER 317 HB2 0.02 0.14 -0.21 -0.04 3.95 3.86 2x9yA1 SER 317 HB3 -0.01 0.13 0.03 -0.04 3.93 4.04 2x9yA1 ASN 318 H -0.05 0.25 0.16 -0.55 8.53 8.34 2x9yA1 ASN 318 HA -0.06 0.19 0.91 -0.75 4.76 5.05 2x9yA1 ASN 318 HB2 -0.16 -0.06 -0.06 -0.04 2.88 2.56 2x9yA1 ASN 318 HB3 -0.24 -0.05 -0.11 -0.04 2.79 2.35 2x9yA1 ASP 319 H -0.10 0.19 0.11 -0.55 8.40 8.04 2x9yA1 ASP 319 HA -0.07 0.11 0.69 -0.75 4.63 4.61 2x9yA1 ASP 319 HB2 -0.07 0.06 -0.21 -0.04 2.71 2.44 2x9yA1 ASP 319 HB3 -0.10 0.02 0.14 -0.04 2.70 2.72 2x9yA1 VAL 320 H -0.05 0.18 0.09 -0.55 8.24 7.92 2x9yA1 VAL 320 HA -0.08 0.44 1.20 -0.75 4.13 4.94 2x9yA1 VAL 320 HB 0.00 -0.09 -0.04 -0.04 2.12 1.95 2x9yA1 VAL 320 HG13 0.03 -0.00 -0.10 -0.04 0.97 0.86 2x9yA1 VAL 320 HG23 0.13 0.00 -0.12 -0.04 0.95 0.93 2x9yA1 THR 321 H 0.00 0.45 0.41 -0.55 8.28 8.60 2x9yA1 THR 321 HA 0.04 0.30 0.83 -0.75 4.39 4.81 2x9yA1 THR 321 HB -0.01 -0.13 -0.12 -0.04 4.32 4.02 2x9yA1 THR 321 HG23 0.01 0.03 -0.21 -0.04 1.22 1.02 2x9yA1 PHE 322 H 0.10 0.70 0.26 -0.55 8.34 8.85 2x9yA1 PHE 322 HA -0.35 0.37 1.15 -0.75 4.62 5.04 2x9yA1 PHE 322 HB2 -0.20 -0.04 -0.04 -0.04 3.15 2.82 2x9yA1 PHE 322 HB3 -0.17 -0.07 0.19 -0.04 3.06 2.97 2x9yA1 PHE 322 HD2 -1.11 0.03 -0.16 -0.04 7.28 6.00 2x9yA1 PHE 322 HE2 -1.43 -0.02 -0.19 -0.04 7.38 5.70 2x9yA1 PHE 322 HZ -0.38 -0.01 -0.08 -0.04 7.32 6.81 2x9yA1 ASN 323 H -0.40 0.62 0.22 -0.55 8.53 8.42 2x9yA1 ASN 323 HA -0.28 0.13 0.94 -0.75 4.76 4.79 2x9yA1 ASN 323 HB2 -0.26 0.06 0.03 -0.04 2.88 2.67 2x9yA1 ASN 323 HB3 -0.24 -0.09 -0.05 -0.04 2.79 2.37 2x9yA1 ASN 323 HD21 -0.01 0.11 -0.23 -0.04 7.03 6.86 2x9yA1 ASN 323 HD22 -0.09 -0.04 -0.08 -0.04 7.74 7.49 2x9yA1 TYR 324 H -0.46 0.34 0.19 -0.55 8.29 7.82 2x9yA1 TYR 324 HA -0.57 0.25 0.72 -0.75 4.56 4.21 2x9yA1 TYR 324 HB2 -0.92 0.05 0.23 -0.04 3.06 2.38 2x9yA1 TYR 324 HB3 -1.53 -0.07 -0.32 -0.04 2.98 1.02 2x9yA1 TYR 324 HD2 -1.08 -0.04 -0.05 -0.04 7.15 5.95 2x9yA1 TYR 324 HE2 -0.15 0.09 -0.02 -0.04 6.85 6.73 2x9yA1 GLY 325 H -0.37 0.33 0.34 -0.55 8.43 8.19 2x9yA1 GLY 325 HA2 -0.46 0.05 0.40 -0.51 4.01 3.49 2x9yA1 GLY 325 HA3 -0.37 0.16 0.73 -0.51 4.01 4.01 2x9yA1 ASN 326 H -0.07 0.20 0.23 -0.55 8.53 8.35 2x9yA1 ASN 326 HA 0.08 0.12 0.78 -0.75 4.76 4.99 2x9yA1 ASN 326 HB2 0.00 0.02 0.12 -0.04 2.88 2.98 2x9yA1 ASN 326 HB3 0.03 0.05 0.17 -0.04 2.79 3.00 2x9yA1 ASN 326 HD21 0.09 0.03 0.03 -0.04 7.03 7.13 2x9yA1 ASN 326 HD22 0.03 0.02 0.07 -0.04 7.74 7.81 2x9yA1 ASN 327 H -0.09 0.02 -0.12 -0.55 8.53 7.79 2x9yA1 ASN 327 HA -0.04 0.19 0.82 -0.75 4.76 4.97 2x9yA1 ASN 327 HB2 -0.08 0.05 -0.07 -0.04 2.88 2.74 2x9yA1 ASN 327 HB3 -0.05 0.05 0.10 -0.04 2.79 2.85 2x9yA1 ASN 327 HD21 -0.04 -0.08 0.05 -0.04 7.03 6.91 2x9yA1 ASN 327 HD22 -0.06 0.28 0.03 -0.04 7.74 7.94 2x9yA1 PRO 328 HA -0.18 0.06 0.29 -0.51 4.44 4.10 2x9yA1 PRO 328 HB2 -0.20 0.02 -0.05 -0.04 2.28 2.01 2x9yA1 PRO 328 HB3 -0.19 0.04 -0.00 -0.04 2.02 1.83 2x9yA1 PRO 328 HG2 -0.03 0.02 0.05 -0.04 2.03 2.03 2x9yA1 PRO 328 HG3 -0.06 0.05 0.04 -0.04 2.03 2.02 2x9yA1 PRO 328 HD2 -0.04 0.10 0.17 -0.04 3.68 3.88 2x9yA1 PRO 328 HD3 -0.04 0.14 0.19 -0.04 3.65 3.90 2x9yA1 ASP 329 H -0.31 0.16 0.06 -0.55 8.40 7.76 2x9yA1 ASP 329 HA -0.28 0.16 0.89 -0.75 4.63 4.65 2x9yA1 ASP 329 HB2 -0.28 0.12 -0.26 -0.04 2.71 2.25 2x9yA1 ASP 329 HB3 -0.30 0.02 -0.16 -0.04 2.70 2.22 2x9yA1 HIS 330 H -0.25 0.10 0.04 -0.55 8.41 7.75 2x9yA1 HIS 330 HA -0.47 0.24 0.72 -0.75 4.63 4.37 2x9yA1 HIS 330 HB2 -1.60 -0.04 -0.07 -0.04 3.26 1.51 2x9yA1 HIS 330 HB3 -1.59 0.01 0.03 -0.04 3.20 1.61 2x9yA1 HIS 330 HD2 -0.88 -0.01 -0.12 -0.04 6.97 5.92 2x9yA1 HIS 330 HE1 -0.15 0.11 -0.10 -0.04 7.75 7.58 2x9yA1 GLY 331 H -0.18 -0.03 -0.22 -0.55 8.43 7.45 2x9yA1 GLY 331 HA2 -0.02 0.16 0.08 -0.51 4.01 3.71 2x9yA1 GLY 331 HA3 -0.06 -0.06 0.20 -0.51 4.01 3.58 2x9yA1 ASN 332 H 0.09 0.57 0.34 -0.55 8.53 8.99 2x9yA1 ASN 332 HA -0.01 0.09 0.45 -0.75 4.76 4.54 2x9yA1 ASN 332 HB2 0.01 -0.14 0.15 -0.04 2.88 2.85 2x9yA1 ASN 332 HB3 -0.01 0.10 -0.11 -0.04 2.79 2.73 2x9yA1 ASN 332 HD21 0.08 0.03 -0.15 -0.04 7.03 6.95 2x9yA1 ASN 332 HD22 0.02 -0.01 -0.14 -0.04 7.74 7.57 2x9yA1 THR 333 H -0.02 0.09 0.08 -0.55 8.28 7.88 2x9yA1 THR 333 HA -0.06 0.16 0.56 -0.75 4.39 4.29 2x9yA1 THR 333 HB -0.08 -0.08 -0.00 -0.04 4.32 4.12 2x9yA1 THR 333 HG23 -0.13 0.01 -0.28 -0.04 1.22 0.78 2x9yA1 PRO 334 HA -1.07 -0.01 0.39 -0.51 4.44 3.24 2x9yA1 PRO 334 HB2 -0.26 0.02 -0.14 -0.04 2.28 1.85 2x9yA1 PRO 334 HB3 -0.48 0.02 -0.10 -0.04 2.02 1.42 2x9yA1 PRO 334 HG2 -0.23 0.03 -0.03 -0.04 2.03 1.76 2x9yA1 PRO 334 HG3 -0.74 0.01 0.04 -0.04 2.03 1.30 2x9yA1 PRO 334 HD2 -0.20 0.13 0.08 -0.04 3.68 3.65 2x9yA1 PRO 334 HD3 -0.23 0.19 0.20 -0.04 3.65 3.77 2x9yA1 LYS 335 H -0.08 0.11 0.08 -0.55 8.42 7.97 2x9yA1 LYS 335 HA -0.06 0.21 0.85 -0.75 4.32 4.56 2x9yA1 LYS 335 HB2 0.04 0.04 0.10 -0.04 1.87 2.00 2x9yA1 LYS 335 HB3 0.01 0.01 -0.01 -0.04 1.79 1.76 2x9yA1 LYS 335 HG2 0.01 -0.15 -0.06 -0.04 1.46 1.23 2x9yA1 LYS 335 HG3 -0.03 0.00 -0.06 -0.04 1.46 1.33 2x9yA1 LYS 335 HD2 -0.03 0.15 -0.42 -0.04 1.69 1.35 2x9yA1 LYS 335 HD3 0.07 0.03 -0.23 -0.04 1.68 1.51 2x9yA1 LYS 335 HE2 0.03 -0.10 -0.18 -0.04 2.99 2.69 2x9yA1 LYS 335 HE3 -0.02 -0.09 -0.15 -0.04 2.99 2.69 2x9yA1 PRO 336 HA -0.02 0.21 0.34 -0.51 4.44 4.46 2x9yA1 PRO 336 HB2 -0.03 -0.09 -0.17 -0.04 2.28 1.96 2x9yA1 PRO 336 HB3 -0.05 0.01 -0.15 -0.04 2.02 1.79 2x9yA1 PRO 336 HG2 -0.02 0.01 -0.05 -0.04 2.03 1.93 2x9yA1 PRO 336 HG3 -0.04 0.06 -0.33 -0.04 2.03 1.68 2x9yA1 PRO 336 HD2 -0.05 0.07 0.14 -0.04 3.68 3.80 2x9yA1 PRO 336 HD3 -0.07 0.22 -0.09 -0.04 3.65 3.66 2x9yA1 ASN 337 H 0.03 0.83 0.41 -0.55 8.53 9.25 2x9yA1 ASN 337 HA 0.03 0.08 0.63 -0.75 4.76 4.75 2x9yA1 ASN 337 HB2 0.05 0.14 -0.16 -0.04 2.88 2.86 2x9yA1 ASN 337 HB3 0.08 -0.08 -0.07 -0.04 2.79 2.68 2x9yA1 ASN 337 HD21 0.04 0.25 0.31 -0.04 7.03 7.58 2x9yA1 ASN 337 HD22 0.06 0.10 -0.00 -0.04 7.74 7.86 2x9yA1 LYS 338 H 0.05 0.10 0.17 -0.55 8.42 8.18 2x9yA1 LYS 338 HA 0.14 0.35 0.94 -0.75 4.32 5.00 2x9yA1 LYS 338 HB2 0.04 -0.14 0.12 -0.04 1.87 1.86 2x9yA1 LYS 338 HB3 0.06 0.26 0.09 -0.04 1.79 2.17 2x9yA1 LYS 338 HG2 0.02 0.12 -0.39 -0.04 1.46 1.18 2x9yA1 LYS 338 HG3 0.02 -0.15 -0.12 -0.04 1.46 1.17 2x9yA1 LYS 338 HD2 0.02 -0.07 0.01 -0.04 1.69 1.60 2x9yA1 LYS 338 HD3 0.03 0.25 0.05 -0.04 1.68 1.96 2x9yA1 LYS 338 HE2 -0.00 0.08 -0.15 -0.04 2.99 2.88 2x9yA1 LYS 338 HE3 0.00 -0.09 -0.09 -0.04 2.99 2.77 2x9yA1 PRO 339 HA 0.03 0.06 0.48 -0.51 4.44 4.50 2x9yA1 PRO 339 HB2 0.03 0.06 -0.24 -0.04 2.28 2.08 2x9yA1 PRO 339 HB3 -0.03 -0.02 -0.50 -0.04 2.02 1.43 2x9yA1 PRO 339 HG2 0.11 0.05 -0.42 -0.04 2.03 1.72 2x9yA1 PRO 339 HG3 -0.09 -0.02 -0.17 -0.04 2.03 1.71 2x9yA1 PRO 339 HD2 0.15 0.13 0.13 -0.04 3.68 4.04 2x9yA1 PRO 339 HD3 0.35 0.30 0.24 -0.04 3.65 4.50 2x9yA1 ASN 340 H 0.01 0.58 0.23 -0.55 8.53 8.81 2x9yA1 ASN 340 HA 0.02 0.19 0.58 -0.75 4.76 4.80 2x9yA1 ASN 340 HB2 0.01 -0.10 0.16 -0.04 2.88 2.92 2x9yA1 ASN 340 HB3 0.01 0.21 0.03 -0.04 2.79 3.01 2x9yA1 ASN 340 HD21 0.00 -0.04 -0.00 -0.04 7.03 6.94 2x9yA1 ASN 340 HD22 0.01 0.12 0.02 -0.04 7.74 7.85 2x9yA1 GLU 341 H 0.01 0.18 0.13 -0.55 8.60 8.38 2x9yA1 GLU 341 HA 0.02 0.13 0.29 -0.75 4.29 3.98 2x9yA1 ASN 342 H 0.01 -0.01 -0.39 -0.55 8.53 7.60 2x9yA1 ASN 342 HA 0.01 0.20 0.58 -0.75 4.76 4.80 2x9yA1 ASN 342 HB2 0.00 -0.06 0.00 -0.04 2.88 2.79 2x9yA1 ASN 342 HB3 0.00 0.03 0.11 -0.04 2.79 2.89 2x9yA1 ASN 342 HD21 0.01 0.01 -0.05 -0.04 7.03 6.95 2x9yA1 ASN 342 HD22 0.01 0.08 -0.03 -0.04 7.74 7.75 2x9yA1 GLY 343 H 0.01 0.66 -0.32 -0.55 8.43 8.23 2x9yA1 GLY 343 HA2 0.01 0.11 0.14 -0.51 4.01 3.76 2x9yA1 GLY 343 HA3 -0.00 0.15 0.61 -0.51 4.01 4.26 2x9yA1 ASP 344 H -0.00 -0.04 -0.09 -0.55 8.40 7.72 2x9yA1 ASP 344 HA -0.02 0.37 0.95 -0.75 4.63 5.18 2x9yA1 ASP 344 HB2 -0.00 -0.07 0.04 -0.04 2.71 2.63 2x9yA1 ASP 344 HB3 -0.00 0.07 -0.04 -0.04 2.70 2.68 2x9yA1 LEU 345 H -0.01 0.68 0.29 -0.55 8.37 8.79 2x9yA1 LEU 345 HA 0.03 0.13 0.89 -0.75 4.35 4.65 2x9yA1 LEU 345 HB2 -0.07 -0.01 -0.23 -0.04 1.64 1.29 2x9yA1 LEU 345 HB3 -0.02 -0.02 0.04 -0.04 1.64 1.59 2x9yA1 LEU 345 HG 0.33 0.00 -0.41 -0.04 1.64 1.52 2x9yA1 LEU 345 HD13 0.09 0.01 -0.34 -0.04 0.93 0.65 2x9yA1 LEU 345 HD23 -0.18 -0.00 -0.27 -0.04 0.89 0.40 2x9yA1 THR 346 H 0.04 0.79 0.19 -0.55 8.28 8.75 2x9yA1 THR 346 HA -0.03 0.18 1.11 -0.75 4.39 4.89 2x9yA1 THR 346 HB -0.02 0.05 0.18 -0.04 4.32 4.49 2x9yA1 THR 346 HG23 -0.07 -0.01 -0.23 -0.04 1.22 0.86 2x9yA1 LEU 347 H -0.28 0.68 0.40 -0.55 8.37 8.62 2x9yA1 LEU 347 HA -0.36 0.34 1.04 -0.75 4.35 4.61 2x9yA1 LEU 347 HB2 -1.83 -0.04 -0.04 -0.04 1.64 -0.30 2x9yA1 LEU 347 HB3 -0.75 -0.06 0.12 -0.04 1.64 0.92 2x9yA1 LEU 347 HG -0.60 0.03 -0.40 -0.04 1.64 0.63 2x9yA1 LEU 347 HD13 -0.62 0.04 -0.12 -0.04 0.93 0.19 2x9yA1 LEU 347 HD23 -1.56 -0.02 -0.23 -0.04 0.89 -0.97 2x9yA1 THR 348 H -0.21 0.65 0.43 -0.55 8.28 8.60 2x9yA1 THR 348 HA -0.14 0.29 1.17 -0.75 4.39 4.96 2x9yA1 THR 348 HB -0.09 -0.05 0.11 -0.04 4.32 4.25 2x9yA1 THR 348 HG23 -0.07 0.00 -0.12 -0.04 1.22 1.00 2x9yA1 LYS 349 H -0.10 0.83 0.39 -0.55 8.42 8.99 2x9yA1 LYS 349 HA -0.20 0.30 1.21 -0.75 4.32 4.87 2x9yA1 LYS 349 HB2 -0.15 -0.09 -0.14 -0.04 1.87 1.45 2x9yA1 LYS 349 HB3 -0.02 -0.00 0.08 -0.04 1.79 1.81 2x9yA1 LYS 349 HG2 -0.62 0.02 -0.21 -0.04 1.46 0.61 2x9yA1 LYS 349 HG3 -0.40 0.05 0.02 -0.04 1.46 1.09 2x9yA1 LYS 349 HD2 0.15 -0.05 -0.14 -0.04 1.69 1.60 2x9yA1 LYS 349 HD3 0.10 0.02 -0.10 -0.04 1.68 1.66 2x9yA1 LYS 349 HE2 -0.24 -0.04 -0.14 -0.04 2.99 2.52 2x9yA1 LYS 349 HE3 -1.47 0.01 -0.12 -0.04 2.99 1.37 2x9yA1 THR 350 H -0.29 0.56 0.44 -0.55 8.28 8.44 2x9yA1 THR 350 HA -0.02 0.19 0.92 -0.75 4.39 4.72 2x9yA1 THR 350 HB -0.11 0.01 0.08 -0.04 4.32 4.26 2x9yA1 THR 350 HG23 -0.08 0.00 -0.18 -0.04 1.22 0.92 2x9yA1 TRP 351 H 0.11 0.24 0.21 -0.55 7.97 7.99 2x9yA1 TRP 351 HA -0.14 0.18 1.07 -0.75 4.62 4.98 2x9yA1 TRP 351 HB2 -0.09 0.25 0.09 -0.04 3.23 3.44 2x9yA1 TRP 351 HB3 -0.07 0.05 -0.04 -0.04 3.23 3.12 2x9yA1 TRP 351 HD1 -0.09 0.02 -0.18 -0.04 7.22 6.92 2x9yA1 TRP 351 HE1 -0.09 0.09 -0.08 -0.04 10.20 10.08 2x9yA1 TRP 351 HE3 -0.38 0.14 -0.02 -0.04 7.59 7.29 2x9yA1 TRP 351 HZ2 -0.14 0.08 -0.08 -0.04 7.44 7.26 2x9yA1 TRP 351 HZ3 -1.93 0.07 -0.13 -0.04 7.13 5.10 2x9yA1 TRP 351 HH2 -0.37 0.06 -0.21 -0.04 7.19 6.63 2x9yA1 VAL 352 H -0.07 0.83 0.36 -0.55 8.24 8.80 2x9yA1 VAL 352 HA -0.09 0.21 0.83 -0.75 4.13 4.32 2x9yA1 VAL 352 HB -0.47 -0.13 -0.38 -0.04 2.12 1.11 2x9yA1 VAL 352 HG13 -0.39 -0.03 -0.43 -0.04 0.97 0.07 2x9yA1 VAL 352 HG23 -1.39 0.01 -0.23 -0.04 0.95 -0.70 2x9yA1 ASP 353 H -0.06 0.65 0.21 -0.55 8.40 8.65 2x9yA1 ASP 353 HA 0.05 0.16 0.75 -0.75 4.63 4.83 2x9yA1 ASP 353 HB2 0.02 -0.04 0.23 -0.04 2.71 2.89 2x9yA1 ASP 353 HB3 0.02 0.12 0.11 -0.04 2.70 2.91 2x9yA1 ALA 354 H 0.06 0.24 0.18 -0.55 8.40 8.34 2x9yA1 ALA 354 HA 0.28 0.07 0.18 -0.75 4.34 4.11 2x9yA1 ALA 354 HB3 0.09 0.07 0.09 -0.04 1.41 1.62 2x9yA1 THR 355 H 0.08 -0.07 -0.51 -0.55 8.28 7.23 2x9yA1 THR 355 HA 0.13 0.18 0.47 -0.75 4.39 4.42 2x9yA1 THR 355 HB 0.03 -0.15 -0.01 -0.04 4.32 4.16 2x9yA1 THR 355 HG23 0.05 0.02 -0.01 -0.04 1.22 1.24 2x9yA1 GLY 356 H -0.01 0.29 -0.20 -0.55 8.43 7.97 2x9yA1 GLY 356 HA2 -0.66 0.05 0.19 -0.51 4.01 3.08 2x9yA1 GLY 356 HA3 -0.00 0.20 0.79 -0.51 4.01 4.49 2x9yA1 ALA 357 H -0.05 -0.09 -0.06 -0.55 8.40 7.66 2x9yA1 ALA 357 HA -0.06 0.19 0.59 -0.75 4.34 4.29 2x9yA1 ALA 357 HB3 -0.02 0.00 0.06 -0.04 1.41 1.41 2x9yA1 PRO 358 HA -0.06 0.36 0.69 -0.51 4.44 4.93 2x9yA1 PRO 358 HB2 -0.03 -0.03 0.04 -0.04 2.28 2.22 2x9yA1 PRO 358 HB3 -0.03 0.04 0.14 -0.04 2.02 2.12 2x9yA1 PRO 358 HG2 -0.04 -0.01 0.10 -0.04 2.03 2.04 2x9yA1 PRO 358 HG3 -0.07 0.07 0.12 -0.04 2.03 2.10 2x9yA1 PRO 358 HD2 -0.04 0.05 0.23 -0.04 3.68 3.88 2x9yA1 PRO 358 HD3 -0.07 0.21 0.33 -0.04 3.65 4.08 2x9yA1 ILE 359 H 0.05 0.59 0.25 -0.55 8.25 8.59 2x9yA1 ILE 359 HA -0.01 0.12 0.71 -0.75 4.18 4.24 2x9yA1 ILE 359 HB 0.00 0.05 0.02 -0.04 1.89 1.92 2x9yA1 ILE 359 HG12 0.12 -0.05 -0.40 -0.04 1.49 1.12 2x9yA1 ILE 359 HG13 0.13 0.20 -0.29 -0.04 1.21 1.21 2x9yA1 ILE 359 HG23 0.01 -0.01 -0.23 -0.04 0.93 0.66 2x9yA1 ILE 359 HD13 0.17 -0.01 -0.28 -0.04 0.88 0.73 2x9yA1 PRO 360 HA -0.14 0.04 0.43 -0.51 4.44 4.26 2x9yA1 PRO 360 HB2 -0.19 0.13 -0.04 -0.04 2.28 2.14 2x9yA1 PRO 360 HB3 -0.11 -0.01 0.10 -0.04 2.02 1.96 2x9yA1 PRO 360 HG2 -0.11 0.05 -0.04 -0.04 2.03 1.89 2x9yA1 PRO 360 HG3 -0.08 0.02 0.03 -0.04 2.03 1.97 2x9yA1 PRO 360 HD2 -0.04 0.08 0.20 -0.04 3.68 3.87 2x9yA1 PRO 360 HD3 -0.05 0.11 0.12 -0.04 3.65 3.78 2x9yA1 ALA 361 H -0.39 0.13 0.15 -0.55 8.40 7.74 2x9yA1 ALA 361 HA -2.60 0.01 0.41 -0.75 4.34 1.41 2x9yA1 ALA 361 HB3 -0.58 0.04 0.14 -0.04 1.41 0.97 2x9yA1 GLY 362 H -2.84 0.11 0.15 -0.55 8.43 5.31 2x9yA1 GLY 362 HA2 -0.33 0.10 0.35 -0.51 4.01 3.62 2x9yA1 GLY 362 HA3 -0.46 0.00 0.26 -0.51 4.01 3.31 2x9yA1 ALA 363 H -0.96 0.22 -0.21 -0.55 8.40 6.91 2x9yA1 ALA 363 HA -0.16 0.05 0.39 -0.75 4.34 3.86 2x9yA1 ALA 363 HB3 -0.02 0.05 -0.10 -0.04 1.41 1.30 2x9yA1 GLU 364 H -0.04 0.10 0.10 -0.55 8.60 8.22 2x9yA1 GLU 364 HA 0.03 0.21 0.70 -0.75 4.29 4.46 2x9yA1 GLU 364 HB2 -0.00 -0.02 0.10 -0.04 2.09 2.13 2x9yA1 GLU 364 HB3 0.02 0.03 -0.11 -0.04 1.99 1.89 2x9yA1 GLU 364 HG2 -0.01 -0.07 0.10 -0.04 2.34 2.32 2x9yA1 GLU 364 HG3 -0.03 -0.02 0.04 -0.04 2.34 2.30 2x9yA1 ALA 365 H 0.13 0.47 0.21 -0.55 8.40 8.66 2x9yA1 ALA 365 HA -0.04 0.21 0.89 -0.75 4.34 4.65 2x9yA1 ALA 365 HB3 0.10 0.01 -0.05 -0.04 1.41 1.43 2x9yA1 THR 366 H -0.20 0.30 0.13 -0.55 8.28 7.97 2x9yA1 THR 366 HA 0.04 0.22 1.13 -0.75 4.39 5.02 2x9yA1 THR 366 HB -0.06 0.02 0.07 -0.04 4.32 4.31 2x9yA1 THR 366 HG23 0.03 0.00 -0.17 -0.04 1.22 1.04 2x9yA1 PHE 367 H 0.26 0.95 0.39 -0.55 8.34 9.39 2x9yA1 PHE 367 HA 0.10 0.23 0.95 -0.75 4.62 5.14 2x9yA1 PHE 367 HB2 0.19 -0.05 -0.11 -0.04 3.15 3.15 2x9yA1 PHE 367 HB3 0.29 -0.02 -0.30 -0.04 3.06 2.99 2x9yA1 PHE 367 HD2 0.09 0.02 -0.48 -0.04 7.28 6.88 2x9yA1 PHE 367 HE2 -0.05 0.01 -0.25 -0.04 7.38 7.05 2x9yA1 PHE 367 HZ -0.18 0.02 -0.22 -0.04 7.32 6.90 2x9yA1 ASP 368 H 0.20 0.69 0.23 -0.55 8.40 8.97 2x9yA1 ASP 368 HA 0.12 0.19 1.05 -0.75 4.63 5.23 2x9yA1 ASP 368 HB2 0.08 0.04 0.17 -0.04 2.71 2.97 2x9yA1 ASP 368 HB3 0.06 -0.01 -0.02 -0.04 2.70 2.68 2x9yA1 LEU 369 H 0.08 0.67 0.25 -0.55 8.37 8.82 2x9yA1 LEU 369 HA -0.27 0.16 0.75 -0.75 4.35 4.23 2x9yA1 LEU 369 HB2 -0.18 -0.01 -0.03 -0.04 1.64 1.37 2x9yA1 LEU 369 HB3 -0.05 -0.03 0.15 -0.04 1.64 1.67 2x9yA1 LEU 369 HG -0.12 -0.03 -0.37 -0.04 1.64 1.08 2x9yA1 LEU 369 HD13 -0.83 0.03 -0.19 -0.04 0.93 -0.11 2x9yA1 LEU 369 HD23 -0.24 -0.00 -0.15 -0.04 0.89 0.46 2x9yA1 VAL 370 H -0.08 0.74 0.33 -0.55 8.24 8.68 2x9yA1 VAL 370 HA 0.01 0.10 0.91 -0.75 4.13 4.40 2x9yA1 VAL 370 HB -0.02 0.02 -0.02 -0.04 2.12 2.06 2x9yA1 VAL 370 HG13 -0.02 0.00 -0.57 -0.04 0.97 0.34 2x9yA1 VAL 370 HG23 0.02 0.01 -0.28 -0.04 0.95 0.66 2x9yA1 ASN 371 H 0.02 0.64 0.19 -0.55 8.53 8.83 2x9yA1 ASN 371 HA -0.25 0.08 0.70 -0.75 4.76 4.53 2x9yA1 ASN 371 HB2 -0.02 0.07 0.14 -0.04 2.88 3.04 2x9yA1 ASN 371 HB3 -0.04 -0.05 0.25 -0.04 2.79 2.90 2x9yA1 ASN 371 HD21 -0.11 0.03 0.05 -0.04 7.03 6.95 2x9yA1 ASN 371 HD22 -0.06 0.07 0.04 -0.04 7.74 7.76 2x9yA1 ALA 372 H -0.21 0.76 0.45 -0.55 8.40 8.87 2x9yA1 ALA 372 HA -0.06 0.10 0.14 -0.75 4.34 3.76 2x9yA1 ALA 372 HB3 -0.08 0.00 -0.16 -0.04 1.41 1.13 2x9yA1 GLN 373 H -0.14 0.00 -0.22 -0.55 8.47 7.57 2x9yA1 GLN 373 HA -0.04 0.09 0.54 -0.75 4.36 4.18 2x9yA1 GLN 373 HB2 -0.07 -0.08 0.10 -0.04 2.15 2.06 2x9yA1 GLN 373 HB3 -0.05 0.47 0.13 -0.04 2.02 2.53 2x9yA1 GLN 373 HG2 -0.17 -0.04 0.18 -0.04 2.40 2.33 2x9yA1 GLN 373 HG3 -0.14 -0.02 0.12 -0.04 2.39 2.31 2x9yA1 GLN 373 HE21 -0.04 -0.10 0.07 -0.04 6.97 6.86 2x9yA1 GLN 373 HE22 -0.05 0.11 0.12 -0.04 7.69 7.83 2x9yA1 ALA 374 H -0.06 -0.05 -0.04 -0.55 8.40 7.70 2x9yA1 ALA 374 HA -0.00 0.23 0.56 -0.75 4.34 4.37 2x9yA1 ALA 374 HB3 -0.01 -0.01 0.08 -0.04 1.41 1.43 2x9yA1 GLY 375 H -0.04 0.27 -0.24 -0.55 8.43 7.88 2x9yA1 GLY 375 HA2 -0.02 0.04 0.17 -0.51 4.01 3.68 2x9yA1 GLY 375 HA3 -0.01 0.10 0.31 -0.51 4.01 3.90 2x9yA1 LYS 376 H -0.02 -0.01 -0.19 -0.55 8.42 7.65 2x9yA1 LYS 376 HA 0.01 0.17 0.79 -0.75 4.32 4.52 2x9yA1 VAL 377 H 0.01 0.17 0.14 -0.55 8.24 8.00 2x9yA1 VAL 377 HA 0.02 0.05 0.53 -0.75 4.13 3.97 2x9yA1 VAL 377 HB 0.02 -0.00 0.09 -0.04 2.12 2.19 2x9yA1 VAL 377 HG13 0.03 -0.00 -0.18 -0.04 0.97 0.77 2x9yA1 VAL 377 HG23 0.02 0.02 -0.01 -0.04 0.95 0.94 2x9yA1 VAL 378 H 0.03 0.78 0.47 -0.55 8.24 8.96 2x9yA1 VAL 378 HA 0.03 0.17 0.84 -0.75 4.13 4.41 2x9yA1 VAL 378 HB 0.04 0.08 0.04 -0.04 2.12 2.24 2x9yA1 VAL 378 HG13 0.00 -0.02 -0.15 -0.04 0.97 0.77 2x9yA1 VAL 378 HG23 0.14 -0.00 -0.04 -0.04 0.95 1.00 2x9yA1 GLN 379 H 0.02 0.26 0.24 -0.55 8.47 8.44 2x9yA1 GLN 379 HA 0.03 0.10 0.65 -0.75 4.36 4.38 2x9yA1 GLN 379 HB2 0.01 0.23 -0.37 -0.04 2.15 1.97 2x9yA1 GLN 379 HB3 0.00 -0.09 -0.17 -0.04 2.02 1.72 2x9yA1 GLN 379 HG2 0.05 0.00 -0.27 -0.04 2.40 2.15 2x9yA1 GLN 379 HG3 0.03 0.00 0.08 -0.04 2.39 2.47 2x9yA1 GLN 379 HE21 0.02 -0.03 -0.01 -0.04 6.97 6.90 2x9yA1 GLN 379 HE22 0.05 0.04 -0.09 -0.04 7.69 7.65 2x9yA1 THR 380 H 0.05 0.22 0.18 -0.55 8.28 8.17 2x9yA1 THR 380 HA 0.10 0.28 1.24 -0.75 4.39 5.26 2x9yA1 THR 380 HB 0.05 -0.03 0.13 -0.04 4.32 4.42 2x9yA1 THR 380 HG23 0.06 0.01 -0.20 -0.04 1.22 1.05 2x9yA1 VAL 381 H 0.19 0.70 0.33 -0.55 8.24 8.91 2x9yA1 VAL 381 HA 0.10 0.19 0.99 -0.75 4.13 4.65 2x9yA1 VAL 381 HB 0.09 0.02 -0.05 -0.04 2.12 2.15 2x9yA1 VAL 381 HG13 0.15 -0.00 -0.27 -0.04 0.97 0.80 2x9yA1 VAL 381 HG23 0.26 0.00 -0.15 -0.04 0.95 1.02 2x9yA1 THR 382 H 0.08 0.23 0.16 -0.55 8.28 8.20 2x9yA1 THR 382 HA 0.16 0.31 1.06 -0.75 4.39 5.16 2x9yA1 THR 382 HB 0.06 0.04 -0.15 -0.04 4.32 4.22 2x9yA1 THR 382 HG23 0.05 -0.01 -0.25 -0.04 1.22 0.97 2x9yA1 LEU 383 H 0.16 0.81 0.25 -0.55 8.37 9.05 2x9yA1 LEU 383 HA 0.06 0.10 0.90 -0.75 4.35 4.65 2x9yA1 LEU 383 HB2 0.21 -0.04 0.16 -0.04 1.64 1.92 2x9yA1 LEU 383 HB3 0.12 0.24 -0.05 -0.04 1.64 1.90 2x9yA1 LEU 383 HG 0.07 -0.06 -0.30 -0.04 1.64 1.31 2x9yA1 LEU 383 HD13 0.05 0.01 -0.23 -0.04 0.93 0.72 2x9yA1 LEU 383 HD23 -0.02 -0.04 -0.43 -0.04 0.89 0.36 2x9yA1 THR 384 H 0.03 0.14 0.10 -0.55 8.28 8.00 2x9yA1 THR 384 HA 0.01 0.10 0.60 -0.75 4.39 4.35 2x9yA1 THR 384 HB -0.01 -0.07 0.13 -0.04 4.32 4.33 2x9yA1 THR 384 HG23 0.01 0.03 0.02 -0.04 1.22 1.24 2x9yA1 THR 385 H -0.04 0.13 0.11 -0.55 8.28 7.94 2x9yA1 THR 385 HA -0.10 0.21 0.24 -0.75 4.39 3.99 2x9yA1 THR 385 HB -0.18 0.08 0.06 -0.04 4.32 4.23 2x9yA1 THR 385 HG23 -0.14 0.02 -0.20 -0.04 1.22 0.87 2x9yA1 ASP 386 H -0.03 -0.05 -0.45 -0.55 8.40 7.31 2x9yA1 ASP 386 HA -0.04 0.19 0.71 -0.75 4.63 4.74 2x9yA1 ASP 386 HB2 -0.02 0.02 0.11 -0.04 2.71 2.78 2x9yA1 ASP 386 HB3 -0.03 -0.01 0.02 -0.04 2.70 2.63 2x9yA1 LYS 387 H 0.00 0.48 -0.26 -0.55 8.42 8.09 2x9yA1 LYS 387 HA 0.00 0.16 0.99 -0.75 4.32 4.72 2x9yA1 ASN 388 H 0.00 0.05 0.22 -0.55 8.53 8.26 2x9yA1 ASN 388 HA 0.07 0.23 0.85 -0.75 4.76 5.16 2x9yA1 ASN 388 HB2 0.03 0.27 0.30 -0.04 2.88 3.44 2x9yA1 ASN 388 HB3 0.06 0.03 -0.03 -0.04 2.79 2.81 2x9yA1 ASN 388 HD21 -0.01 -0.04 -0.02 -0.04 7.03 6.93 2x9yA1 ASN 388 HD22 0.00 0.07 0.03 -0.04 7.74 7.80 2x9yA1 THR 389 H -0.03 0.05 0.23 -0.55 8.28 7.99 2x9yA1 THR 389 HA -0.12 0.42 0.98 -0.75 4.39 4.92 2x9yA1 THR 389 HB -0.07 0.01 0.02 -0.04 4.32 4.23 2x9yA1 THR 389 HG23 -0.06 0.01 -0.06 -0.04 1.22 1.07 2x9yA1 VAL 390 H -0.17 0.58 0.32 -0.55 8.24 8.41 2x9yA1 VAL 390 HA -0.05 0.08 0.41 -0.75 4.13 3.82 2x9yA1 VAL 390 HB -0.05 0.10 0.01 -0.04 2.12 2.15 2x9yA1 VAL 390 HG13 -0.20 -0.02 -0.16 -0.04 0.97 0.55 2x9yA1 VAL 390 HG23 -0.01 -0.00 -0.07 -0.04 0.95 0.83 2x9yA1 THR 391 H -0.03 0.21 0.14 -0.55 8.28 8.05 2x9yA1 THR 391 HA -0.02 0.28 1.13 -0.75 4.39 5.04 2x9yA1 THR 391 HB -0.01 -0.03 0.05 -0.04 4.32 4.29 2x9yA1 THR 391 HG23 -0.00 -0.01 -0.30 -0.04 1.22 0.86 2x9yA1 VAL 392 H 0.06 0.65 0.30 -0.55 8.24 8.70 2x9yA1 VAL 392 HA 0.01 0.14 0.94 -0.75 4.13 4.47 2x9yA1 VAL 392 HB 0.02 -0.00 0.10 -0.04 2.12 2.19 2x9yA1 VAL 392 HG13 -0.06 0.03 -0.11 -0.04 0.97 0.79 2x9yA1 VAL 392 HG23 0.14 -0.01 -0.16 -0.04 0.95 0.88 2x9yA1 ASN 393 H -0.01 0.17 0.14 -0.55 8.53 8.27 2x9yA1 ASN 393 HA -0.02 0.17 0.84 -0.75 4.76 4.99 2x9yA1 ASN 393 HB2 -0.01 0.03 0.00 -0.04 2.88 2.86 2x9yA1 ASN 393 HB3 -0.01 -0.02 0.06 -0.04 2.79 2.78 2x9yA1 ASN 393 HD21 -0.01 -0.00 -0.16 -0.04 7.03 6.81 2x9yA1 ASN 393 HD22 -0.01 -0.00 -0.12 -0.04 7.74 7.56 2x9yA1 GLY 394 H -0.02 0.13 0.10 -0.55 8.43 8.10 2x9yA1 GLY 394 HA2 -0.01 0.05 0.37 -0.51 4.01 3.91 2x9yA1 GLY 394 HA3 -0.01 0.00 0.34 -0.51 4.01 3.83 2x9yA1 LEU 395 H -0.05 0.43 0.05 -0.55 8.37 8.25 2x9yA1 LEU 395 HA -0.03 0.18 0.85 -0.75 4.35 4.59 2x9yA1 LEU 395 HB2 -0.18 0.00 -0.14 -0.04 1.64 1.28 2x9yA1 LEU 395 HB3 -0.37 -0.06 0.01 -0.04 1.64 1.18 2x9yA1 LEU 395 HG -0.19 0.07 -0.40 -0.04 1.64 1.08 2x9yA1 LEU 395 HD13 -0.67 -0.03 -0.18 -0.04 0.93 0.01 2x9yA1 LEU 395 HD23 -0.26 0.01 -0.15 -0.04 0.89 0.46 2x9yA1 ASP 396 H 0.20 0.14 0.10 -0.55 8.40 8.29 2x9yA1 ASP 396 HA 0.06 0.13 0.63 -0.75 4.63 4.70 2x9yA1 ASP 396 HB2 0.08 0.09 0.08 -0.04 2.71 2.92 2x9yA1 ASP 396 HB3 0.14 0.00 0.16 -0.04 2.70 2.97 2x9yA1 LYS 397 H 0.05 0.20 0.15 -0.55 8.42 8.27 2x9yA1 LYS 397 HA 0.07 0.11 0.19 -0.75 4.32 3.94 2x9yA1 ASN 398 H 0.05 -0.04 -0.52 -0.55 8.53 7.47 2x9yA1 ASN 398 HA 0.02 0.26 0.90 -0.75 4.76 5.19 2x9yA1 ASN 398 HB2 0.02 -0.04 -0.02 -0.04 2.88 2.80 2x9yA1 ASN 398 HB3 0.01 0.03 0.11 -0.04 2.79 2.90 2x9yA1 ASN 398 HD21 0.02 0.01 -0.07 -0.04 7.03 6.95 2x9yA1 ASN 398 HD22 0.02 -0.01 -0.05 -0.04 7.74 7.65 2x9yA1 THR 399 H 0.06 0.40 -0.12 -0.55 8.28 8.07 2x9yA1 THR 399 HA -0.12 0.15 0.85 -0.75 4.39 4.51 2x9yA1 THR 399 HB -0.16 0.06 0.09 -0.04 4.32 4.27 2x9yA1 THR 399 HG23 -0.65 0.00 -0.09 -0.04 1.22 0.44 2x9yA1 GLU 400 H -0.21 0.11 0.13 -0.55 8.60 8.09 2x9yA1 GLU 400 HA -0.05 0.30 0.74 -0.75 4.29 4.53 2x9yA1 GLU 400 HB2 -0.09 -0.06 0.09 -0.04 2.09 1.98 2x9yA1 GLU 400 HB3 -0.07 0.05 -0.12 -0.04 1.99 1.81 2x9yA1 GLU 400 HG2 -0.01 -0.00 -0.31 -0.04 2.34 1.98 2x9yA1 GLU 400 HG3 -0.03 0.03 -0.25 -0.04 2.34 2.05 2x9yA1 TYR 401 H 0.12 0.95 0.36 -0.55 8.29 9.17 2x9yA1 TYR 401 HA -0.09 0.15 1.09 -0.75 4.56 4.95 2x9yA1 TYR 401 HB2 -0.14 0.03 -0.08 -0.04 3.06 2.83 2x9yA1 TYR 401 HB3 -0.22 -0.03 -0.04 -0.04 2.98 2.65 2x9yA1 TYR 401 HD2 -0.08 0.09 -0.18 -0.04 7.15 6.94 2x9yA1 TYR 401 HE2 -0.03 0.14 -0.04 -0.04 6.85 6.87 2x9yA1 LYS 402 H -0.04 0.50 0.27 -0.55 8.42 8.60 2x9yA1 LYS 402 HA -0.00 0.13 0.48 -0.75 4.32 4.17 2x9yA1 LYS 402 HB2 -0.06 0.03 -0.24 -0.04 1.87 1.55 2x9yA1 LYS 402 HB3 -0.05 0.05 -0.34 -0.04 1.79 1.41 2x9yA1 LYS 402 HG2 -0.05 0.03 -0.12 -0.04 1.46 1.29 2x9yA1 LYS 402 HG3 -0.04 -0.05 -0.24 -0.04 1.46 1.09 2x9yA1 LYS 402 HD2 -0.10 0.03 -0.23 -0.04 1.69 1.35 2x9yA1 LYS 402 HD3 -0.07 0.03 -0.24 -0.04 1.68 1.35 2x9yA1 LYS 402 HE2 -0.04 -0.05 -0.25 -0.04 2.99 2.61 2x9yA1 LYS 402 HE3 -0.04 -0.03 -0.17 -0.04 2.99 2.71 2x9yA1 PHE 403 H 0.22 0.20 -0.01 -0.55 8.34 8.20 2x9yA1 PHE 403 HA 0.10 0.19 0.80 -0.75 4.62 4.96 2x9yA1 PHE 403 HB2 -0.00 0.01 0.03 -0.04 3.15 3.14 2x9yA1 PHE 403 HB3 -0.03 0.00 -0.19 -0.04 3.06 2.80 2x9yA1 PHE 403 HD2 -0.02 0.01 -0.22 -0.04 7.28 7.00 2x9yA1 PHE 403 HE2 -0.06 -0.00 -0.31 -0.04 7.38 6.97 2x9yA1 PHE 403 HZ -0.09 0.05 -0.18 -0.04 7.32 7.06 2x9yA1 VAL 404 H 0.21 0.68 0.15 -0.55 8.24 8.73 2x9yA1 VAL 404 HA 0.23 0.14 0.85 -0.75 4.13 4.60 2x9yA1 VAL 404 HB 0.09 -0.05 0.13 -0.04 2.12 2.25 2x9yA1 VAL 404 HG13 0.06 0.04 -0.12 -0.04 0.97 0.90 2x9yA1 VAL 404 HG23 0.00 0.03 -0.15 -0.04 0.95 0.79 2x9yA1 GLU 405 H 0.42 0.17 0.04 -0.55 8.60 8.69 2x9yA1 GLU 405 HA -0.43 0.10 0.46 -0.75 4.29 3.67 2x9yA1 GLU 405 HB2 0.02 -0.04 -0.06 -0.04 2.09 1.97 2x9yA1 GLU 405 HB3 0.03 -0.04 0.04 -0.04 1.99 1.98 2x9yA1 GLU 405 HG2 -0.23 0.13 -0.54 -0.04 2.34 1.67 2x9yA1 GLU 405 HG3 -0.74 0.02 -0.12 -0.04 2.34 1.46 2x9yA1 ARG 406 H -0.22 0.60 0.35 -0.55 8.46 8.65 2x9yA1 ARG 406 HA -0.03 0.02 0.63 -0.75 4.34 4.21 2x9yA1 ARG 406 HB2 -0.09 -0.03 0.14 -0.04 1.90 1.87 2x9yA1 ARG 406 HB3 -0.03 0.02 0.02 -0.04 1.80 1.77 2x9yA1 ARG 406 HG2 -0.00 0.02 -0.01 -0.04 1.67 1.64 2x9yA1 ARG 406 HG3 -0.01 -0.01 -0.07 -0.04 1.67 1.54 2x9yA1 ARG 406 HD2 -0.01 -0.07 -0.13 -0.04 3.22 2.97 2x9yA1 ARG 406 HD3 -0.00 0.01 -0.05 -0.04 3.22 3.14 2x9yA1 SER 407 H -0.01 0.09 0.16 -0.55 8.46 8.15 2x9yA1 SER 407 HA -0.02 0.02 0.27 -0.75 4.49 4.01 2x9yA1 SER 407 HB2 0.00 0.06 0.17 -0.04 3.95 4.14 2x9yA1 SER 407 HB3 0.00 -0.04 0.08 -0.04 3.93 3.94 2x9yA1 ILE 408 H 0.02 0.21 0.12 -0.55 8.25 8.05 2x9yA1 ILE 408 HA 0.04 0.16 0.93 -0.75 4.18 4.56 2x9yA1 ILE 408 HB 0.12 -0.07 0.05 -0.04 1.89 1.95 2x9yA1 ILE 408 HG12 -0.02 0.09 -0.04 -0.04 1.49 1.48 2x9yA1 ILE 408 HG13 -0.08 0.10 -0.14 -0.04 1.21 1.05 2x9yA1 ILE 408 HG23 0.16 0.02 -0.20 -0.04 0.93 0.87 2x9yA1 ILE 408 HD13 -0.05 -0.04 -0.15 -0.04 0.88 0.60 2x9yA1 LYS 409 H 0.07 0.16 0.06 -0.55 8.42 8.16 2x9yA1 LYS 409 HA 0.04 0.01 0.32 -0.75 4.32 3.94 2x9yA1 GLY 410 H 0.02 0.22 0.22 -0.55 8.43 8.34 2x9yA1 GLY 410 HA2 -0.06 -0.06 0.37 -0.51 4.01 3.75 2x9yA1 GLY 410 HA3 -0.07 0.16 0.57 -0.51 4.01 4.16 2x9yA1 TYR 411 H 0.20 0.71 -0.01 -0.55 8.29 8.64 2x9yA1 TYR 411 HA 0.08 0.25 1.17 -0.75 4.56 5.31 2x9yA1 TYR 411 HB2 0.07 0.01 -0.07 -0.04 3.06 3.04 2x9yA1 TYR 411 HB3 0.01 -0.05 -0.15 -0.04 2.98 2.75 2x9yA1 TYR 411 HD2 0.16 0.05 -0.49 -0.04 7.15 6.84 2x9yA1 TYR 411 HE2 0.23 0.07 -0.12 -0.04 6.85 6.98 2x9yA1 SER 412 H 0.19 0.61 0.39 -0.55 8.46 9.09 2x9yA1 SER 412 HA 0.02 0.21 0.96 -0.75 4.49 4.92 2x9yA1 SER 412 HB2 0.08 -0.06 0.11 -0.04 3.95 4.04 2x9yA1 SER 412 HB3 -0.03 -0.02 0.01 -0.04 3.93 3.85 2x9yA1 ALA 413 H -0.01 0.19 0.16 -0.55 8.40 8.19 2x9yA1 ALA 413 HA -0.15 0.18 0.63 -0.75 4.34 4.25 2x9yA1 ALA 413 HB3 -0.28 0.02 0.03 -0.04 1.41 1.14 2x9yA1 ASP 414 H -0.05 0.81 0.31 -0.55 8.40 8.92 2x9yA1 ASP 414 HA 0.05 0.11 0.85 -0.75 4.63 4.88 2x9yA1 ASP 414 HB2 0.25 0.12 -0.08 -0.04 2.71 2.96 2x9yA1 ASP 414 HB3 0.39 -0.00 0.21 -0.04 2.70 3.26 2x9yA1 TYR 415 H 0.20 0.23 -0.08 -0.55 8.29 8.08 2x9yA1 TYR 415 HA 0.03 0.07 0.65 -0.75 4.56 4.55 2x9yA1 TYR 415 HB2 0.02 0.17 -0.00 -0.04 3.06 3.21 2x9yA1 TYR 415 HB3 0.03 -0.01 0.05 -0.04 2.98 3.01 2x9yA1 TYR 415 HD2 0.04 0.04 -0.22 -0.04 7.15 6.97 2x9yA1 TYR 415 HE2 0.11 0.19 0.05 -0.04 6.85 7.15 2x9yA1 GLN 416 H 0.07 0.55 0.37 -0.55 8.47 8.91 2x9yA1 GLN 416 HA 0.07 0.03 0.41 -0.75 4.36 4.11 2x9yA1 GLN 416 HB2 0.03 -0.02 0.05 -0.04 2.15 2.17 2x9yA1 GLN 416 HB3 0.03 -0.05 0.08 -0.04 2.02 2.04 2x9yA1 GLN 416 HG2 0.00 0.16 -0.03 -0.04 2.40 2.49 2x9yA1 GLN 416 HG3 -0.01 -0.08 -0.08 -0.04 2.39 2.18 2x9yA1 GLN 416 HE21 0.04 -0.00 -0.07 -0.04 6.97 6.89 2x9yA1 GLN 416 HE22 0.00 -0.03 -0.07 -0.04 7.69 7.56 2x9yA1 GLU 417 H 0.04 0.05 0.12 -0.55 8.60 8.27 2x9yA1 GLU 417 HA 0.03 0.05 0.45 -0.75 4.29 4.06 2x9yA1 GLU 417 HB2 0.03 0.00 0.09 -0.04 2.09 2.17 2x9yA1 GLU 417 HB3 0.03 -0.05 0.08 -0.04 1.99 2.01 2x9yA1 GLU 417 HG2 0.02 0.17 -0.47 -0.04 2.34 2.02 2x9yA1 GLU 417 HG3 0.02 -0.05 0.03 -0.04 2.34 2.30 2x9yA1 ILE 418 H 0.03 0.09 0.16 -0.55 8.25 7.98 2x9yA1 ILE 418 HA 0.03 0.10 0.62 -0.75 4.18 4.17 2x9yA1 ILE 418 HB 0.02 -0.05 0.13 -0.04 1.89 1.95 2x9yA1 ILE 418 HG12 0.02 -0.06 0.03 -0.04 1.49 1.44 2x9yA1 ILE 418 HG13 0.03 0.21 -0.01 -0.04 1.21 1.39 2x9yA1 ILE 418 HG23 0.03 0.00 -0.14 -0.04 0.93 0.78 2x9yA1 ILE 418 HD13 0.05 0.07 0.00 -0.04 0.88 0.96 2x9yA1 THR 419 H 0.02 0.10 0.24 -0.55 8.28 8.09 2x9yA1 THR 419 HA 0.02 0.21 0.94 -0.75 4.39 4.79 2x9yA1 THR 419 HB 0.01 -0.03 0.04 -0.04 4.32 4.30 2x9yA1 THR 419 HG23 0.02 0.05 -0.16 -0.04 1.22 1.09 2x9yA1 THR 420 H 0.02 0.16 0.21 -0.55 8.28 8.12 2x9yA1 THR 420 HA 0.02 0.11 0.59 -0.75 4.39 4.36 2x9yA1 THR 420 HB 0.01 0.09 -0.16 -0.04 4.32 4.22 2x9yA1 THR 420 HG23 0.01 -0.01 -0.14 -0.04 1.22 1.04 2x9yA1 ALA 421 H 0.02 0.10 0.14 -0.55 8.40 8.11 2x9yA1 ALA 421 HA 0.03 0.09 0.53 -0.75 4.34 4.24 2x9yA1 ALA 421 HB3 0.03 0.06 0.04 -0.04 1.41 1.50 2x9yA1 GLY 422 H 0.04 0.81 0.27 -0.55 8.43 9.01 2x9yA1 GLY 422 HA2 0.03 0.01 0.53 -0.51 4.01 4.07 2x9yA1 GLY 422 HA3 0.02 -0.00 0.55 -0.51 4.01 4.07 2x9yA1 GLU 423 H 0.03 0.37 -0.23 -0.55 8.60 8.23 2x9yA1 GLU 423 HA 0.01 0.18 1.06 -0.75 4.29 4.79 2x9yA1 GLU 423 HB2 0.01 -0.00 0.03 -0.04 2.09 2.08 2x9yA1 GLU 423 HB3 -0.00 -0.01 -0.06 -0.04 1.99 1.88 2x9yA1 GLU 423 HG2 0.01 0.07 -0.43 -0.04 2.34 1.96 2x9yA1 GLU 423 HG3 0.00 -0.04 -0.13 -0.04 2.34 2.13 2x9yA1 ILE 424 H -0.01 0.77 0.32 -0.55 8.25 8.79 2x9yA1 ILE 424 HA 0.05 0.18 0.89 -0.75 4.18 4.55 2x9yA1 ILE 424 HB 0.14 -0.01 -0.01 -0.04 1.89 1.97 2x9yA1 ILE 424 HG12 0.11 0.17 -0.01 -0.04 1.49 1.71 2x9yA1 ILE 424 HG13 0.14 -0.09 -0.52 -0.04 1.21 0.69 2x9yA1 ILE 424 HG23 0.16 -0.03 -0.19 -0.04 0.93 0.83 2x9yA1 ILE 424 HD13 0.23 -0.02 -0.15 -0.04 0.88 0.90 2x9yA1 ALA 425 H 0.02 0.27 0.15 -0.55 8.40 8.30 2x9yA1 ALA 425 HA -0.10 0.26 1.17 -0.75 4.34 4.93 2x9yA1 ALA 425 HB3 -0.03 0.00 0.01 -0.04 1.41 1.35 2x9yA1 VAL 426 H -0.15 0.70 0.39 -0.55 8.24 8.63 2x9yA1 VAL 426 HA -0.13 0.20 1.00 -0.75 4.13 4.45 2x9yA1 VAL 426 HB -0.14 0.01 -0.13 -0.04 2.12 1.82 2x9yA1 VAL 426 HG13 -0.21 -0.01 -0.06 -0.04 0.97 0.64 2x9yA1 VAL 426 HG23 -0.30 -0.03 -0.31 -0.04 0.95 0.27 2x9yA1 LYS 427 H -0.14 0.58 0.18 -0.55 8.42 8.49 2x9yA1 LYS 427 HA -0.30 0.16 1.04 -0.75 4.32 4.47 2x9yA1 LYS 427 HB2 -0.09 -0.01 -0.04 -0.04 1.87 1.69 2x9yA1 LYS 427 HB3 0.03 0.01 0.10 -0.04 1.79 1.89 2x9yA1 LYS 427 HG2 -0.80 -0.00 -0.29 -0.04 1.46 0.33 2x9yA1 LYS 427 HG3 -0.38 -0.03 -0.15 -0.04 1.46 0.86 2x9yA1 LYS 427 HD2 -0.33 0.01 -0.14 -0.04 1.69 1.18 2x9yA1 LYS 427 HD3 -0.14 -0.02 -0.10 -0.04 1.68 1.38 2x9yA1 LYS 427 HE2 0.18 0.01 -0.09 -0.04 2.99 3.04 2x9yA1 LYS 427 HE3 -0.85 -0.00 -0.15 -0.04 2.99 1.95 2x9yA1 ASN 428 H -0.52 0.72 0.28 -0.55 8.53 8.46 2x9yA1 ASN 428 HA -0.16 0.23 0.86 -0.75 4.76 4.93 2x9yA1 ASN 428 HB2 -1.25 0.04 0.28 -0.04 2.88 1.91 2x9yA1 ASN 428 HB3 -0.55 -0.02 -0.06 -0.04 2.79 2.12 2x9yA1 TRP 429 H 0.33 0.65 0.32 -0.55 7.97 8.72 2x9yA1 TRP 429 HA 0.03 0.28 0.73 -0.75 4.62 4.90 2x9yA1 TRP 429 HB2 0.02 -0.11 0.12 -0.04 3.23 3.22 2x9yA1 TRP 429 HB3 -0.01 0.04 -0.14 -0.04 3.23 3.08 2x9yA1 TRP 429 HD1 -0.07 0.16 -0.13 -0.04 7.22 7.14 2x9yA1 TRP 429 HE1 -0.07 0.01 -0.10 -0.04 10.20 10.00 2x9yA1 TRP 429 HE3 -0.39 0.04 -0.21 -0.04 7.59 6.98 2x9yA1 TRP 429 HZ2 -0.11 -0.01 -0.09 -0.04 7.44 7.18 2x9yA1 TRP 429 HZ3 -0.38 0.07 -0.49 -0.04 7.13 6.29 2x9yA1 TRP 429 HH2 -0.19 0.01 -0.10 -0.04 7.19 6.87 2x9yA1 LYS 430 H 0.14 0.50 0.16 -0.55 8.42 8.66 2x9yA1 LYS 430 HA -0.53 0.20 0.71 -0.75 4.32 3.95 2x9yA1 LYS 430 HB2 -0.05 0.10 0.15 -0.04 1.87 2.03 2x9yA1 LYS 430 HB3 -0.05 -0.22 0.32 -0.04 1.79 1.80 2x9yA1 LYS 430 HG2 -0.22 -0.02 0.07 -0.04 1.46 1.25 2x9yA1 LYS 430 HG3 -0.81 0.09 0.03 -0.04 1.46 0.72 2x9yA1 LYS 430 HD2 0.01 0.03 -0.00 -0.04 1.69 1.68 2x9yA1 LYS 430 HD3 -0.05 -0.08 0.06 -0.04 1.68 1.57 2x9yA1 LYS 430 HE2 -0.10 -0.01 0.01 -0.04 2.99 2.85 2x9yA1 LYS 430 HE3 -0.09 0.05 -0.01 -0.04 2.99 2.90 2x9yA1 ASP 431 H 0.01 0.36 0.13 -0.55 8.40 8.35 2x9yA1 ASP 431 HA 0.05 0.11 0.43 -0.75 4.63 4.47 2x9yA1 ASP 431 HB2 -0.01 -0.07 -0.01 -0.04 2.71 2.58 2x9yA1 ASP 431 HB3 -0.05 0.13 -0.05 -0.04 2.70 2.69 2x9yA1 GLU 432 H -0.12 0.53 0.00 -0.55 8.60 8.48 2x9yA1 GLU 432 HA -0.09 -0.06 0.35 -0.75 4.29 3.75 2x9yA1 GLU 432 HB2 -0.06 0.19 0.07 -0.04 2.09 2.25 2x9yA1 GLU 432 HB3 -0.06 -0.05 0.18 -0.04 1.99 2.02 2x9yA1 GLU 432 HG2 -0.09 0.07 -0.38 -0.04 2.34 1.90 2x9yA1 GLU 432 HG3 -0.05 -0.03 -0.07 -0.04 2.34 2.14 2x9yA1 ASN 433 H -0.10 0.00 -0.21 -0.55 8.53 7.68 2x9yA1 ASN 433 HA -0.16 0.14 0.89 -0.75 4.76 4.87 2x9yA1 ASN 433 HB2 -0.19 -0.14 -0.08 -0.04 2.88 2.43 2x9yA1 ASN 433 HB3 -0.36 0.31 0.18 -0.04 2.79 2.89 2x9yA1 ASN 433 HD21 -0.18 0.22 -0.62 -0.04 7.03 6.41 2x9yA1 ASN 433 HD22 -0.21 -0.15 -0.28 -0.04 7.74 7.07 2x9yA1 PRO 434 HA -0.11 -0.00 0.53 -0.51 4.44 4.34 2x9yA1 PRO 434 HB2 -0.41 0.16 -0.02 -0.04 2.28 1.97 2x9yA1 PRO 434 HB3 -0.07 0.01 0.12 -0.04 2.02 2.04 2x9yA1 PRO 434 HG2 -0.41 0.03 0.06 -0.04 2.03 1.67 2x9yA1 PRO 434 HG3 -0.14 0.03 0.09 -0.04 2.03 1.97 2x9yA1 PRO 434 HD2 -0.68 0.27 0.27 -0.04 3.68 3.49 2x9yA1 PRO 434 HD3 -0.27 0.02 0.30 -0.04 3.65 3.66 2x9yA1 LYS 435 H -0.04 0.02 0.15 -0.55 8.42 8.00 2x9yA1 LYS 435 HA -0.04 0.05 0.50 -0.75 4.32 4.07 2x9yA1 LYS 435 HB2 0.01 0.04 0.13 -0.04 1.87 2.01 2x9yA1 LYS 435 HB3 -0.00 -0.09 0.14 -0.04 1.79 1.80 2x9yA1 LYS 435 HG2 0.03 -0.10 0.10 -0.04 1.46 1.45 2x9yA1 LYS 435 HG3 0.04 0.21 -0.13 -0.04 1.46 1.54 2x9yA1 LYS 435 HD2 0.02 0.02 0.03 -0.04 1.69 1.73 2x9yA1 LYS 435 HD3 0.02 -0.06 0.05 -0.04 1.68 1.64 2x9yA1 LYS 435 HE2 0.03 -0.03 0.03 -0.04 2.99 2.99 2x9yA1 LYS 435 HE3 0.04 0.04 0.02 -0.04 2.99 3.05 2x9yA1 PRO 436 HA 0.01 0.14 0.54 -0.51 4.44 4.61 2x9yA1 PRO 436 HB2 0.02 0.02 -0.15 -0.04 2.28 2.13 2x9yA1 PRO 436 HB3 -0.02 0.02 -0.04 -0.04 2.02 1.94 2x9yA1 PRO 436 HG2 0.03 0.02 0.08 -0.04 2.03 2.12 2x9yA1 PRO 436 HG3 -0.04 -0.02 0.11 -0.04 2.03 2.04 2x9yA1 PRO 436 HD2 0.01 0.05 0.22 -0.04 3.68 3.92 2x9yA1 PRO 436 HD3 -0.03 0.11 0.28 -0.04 3.65 3.97 2x9yA1 LEU 437 H 0.11 0.51 0.32 -0.55 8.37 8.76 2x9yA1 LEU 437 HA 0.08 0.15 0.85 -0.75 4.35 4.67 2x9yA1 LEU 437 HB2 0.19 -0.10 0.14 -0.04 1.64 1.82 2x9yA1 LEU 437 HB3 0.07 -0.02 -0.03 -0.04 1.64 1.62 2x9yA1 LEU 437 HG 0.14 0.02 0.01 -0.04 1.64 1.77 2x9yA1 LEU 437 HD13 -0.01 -0.02 -0.28 -0.04 0.93 0.57 2x9yA1 LEU 437 HD23 0.09 0.04 -0.11 -0.04 0.89 0.86 2x9yA1 ASP 438 H 0.04 0.22 0.02 -0.55 8.40 8.13 2x9yA1 ASP 438 HA 0.03 0.25 0.89 -0.75 4.63 5.04 2x9yA1 ASP 438 HB2 0.03 -0.04 -0.19 -0.04 2.71 2.47 2x9yA1 ASP 438 HB3 0.02 -0.05 0.13 -0.04 2.70 2.76 2x9yA1 PRO 439 HA 0.01 0.08 0.47 -0.51 4.44 4.49 2x9yA1 PRO 439 HB2 -0.00 0.15 -0.08 -0.04 2.28 2.31 2x9yA1 PRO 439 HB3 0.01 0.02 -0.03 -0.04 2.02 1.98 2x9yA1 PRO 439 HG2 0.04 -0.02 -0.16 -0.04 2.03 1.84 2x9yA1 PRO 439 HG3 0.05 -0.03 -0.23 -0.04 2.03 1.77 2x9yA1 PRO 439 HD2 0.02 0.30 0.11 -0.04 3.68 4.06 2x9yA1 PRO 439 HD3 0.05 0.13 -0.10 -0.04 3.65 3.69 2x9yA1 THR 440 H -0.01 0.08 0.21 -0.55 8.28 8.01 2x9yA1 THR 440 HA -0.02 0.14 0.78 -0.75 4.39 4.55 2x9yA1 THR 440 HB -0.02 0.07 0.05 -0.04 4.32 4.38 2x9yA1 THR 440 HG23 -0.00 0.00 0.06 -0.04 1.22 1.24 2x9yA1 GLU 441 H -0.03 0.19 0.15 -0.55 8.60 8.35 2x9yA1 GLU 441 HA -0.08 0.21 0.89 -0.75 4.29 4.56 2x9yA1 GLU 441 HB2 -0.05 0.06 0.10 -0.04 2.09 2.16 2x9yA1 GLU 441 HB3 -0.09 0.00 0.03 -0.04 1.99 1.90 2x9yA1 GLU 441 HG2 -0.09 -0.13 -0.29 -0.04 2.34 1.79 2x9yA1 GLU 441 HG3 -0.07 -0.01 -0.20 -0.04 2.34 2.02 2x9yA1 PRO 442 HA -0.11 0.26 0.51 -0.51 4.44 4.60 2x9yA1 PRO 442 HB2 -0.76 0.01 -0.12 -0.04 2.28 1.38 2x9yA1 PRO 442 HB3 -0.84 0.00 0.11 -0.04 2.02 1.25 2x9yA1 PRO 442 HG2 -0.55 -0.04 -0.15 -0.04 2.03 1.24 2x9yA1 PRO 442 HG3 -0.47 -0.03 0.09 -0.04 2.03 1.58 2x9yA1 PRO 442 HD2 -0.13 0.02 0.06 -0.04 3.68 3.58 2x9yA1 PRO 442 HD3 -0.15 0.23 0.07 -0.04 3.65 3.76 2x9yA1 LYS 443 H 0.11 0.28 0.15 -0.55 8.42 8.42 2x9yA1 LYS 443 HA 0.13 0.28 0.99 -0.75 4.32 4.95 2x9yA1 LYS 443 HB2 0.09 -0.07 -0.08 -0.04 1.87 1.77 2x9yA1 LYS 443 HB3 0.08 0.00 0.08 -0.04 1.79 1.91 2x9yA1 LYS 443 HG2 0.03 -0.02 -0.38 -0.04 1.46 1.05 2x9yA1 LYS 443 HG3 0.03 0.11 -0.05 -0.04 1.46 1.51 2x9yA1 LYS 443 HD2 0.02 0.18 -0.03 -0.04 1.69 1.82 2x9yA1 LYS 443 HD3 0.03 0.04 -0.07 -0.04 1.68 1.64 2x9yA1 LYS 443 HE2 0.00 0.06 -0.31 -0.04 2.99 2.70 2x9yA1 LYS 443 HE3 -0.01 -0.03 -0.40 -0.04 2.99 2.51 2x9yA1 VAL 444 H 0.15 0.59 0.34 -0.55 8.24 8.76 2x9yA1 VAL 444 HA 0.18 0.29 1.04 -0.75 4.13 4.89 2x9yA1 VAL 444 HB 0.11 0.00 0.05 -0.04 2.12 2.24 2x9yA1 VAL 444 HG13 0.20 -0.01 -0.21 -0.04 0.97 0.91 2x9yA1 VAL 444 HG23 0.08 0.01 -0.16 -0.04 0.95 0.84 2x9yA1 VAL 445 H 0.03 0.50 0.23 -0.55 8.24 8.46 2x9yA1 VAL 445 HA -0.00 0.11 0.59 -0.75 4.13 4.07 2x9yA1 VAL 445 HB 0.05 0.09 -0.50 -0.04 2.12 1.72 2x9yA1 VAL 445 HG13 -0.03 -0.01 -0.44 -0.04 0.97 0.45 2x9yA1 VAL 445 HG23 0.07 0.07 -0.21 -0.04 0.95 0.84 2x9yA1 THR 446 H -0.05 0.20 0.11 -0.55 8.28 7.99 2x9yA1 THR 446 HA -0.24 0.38 1.05 -0.75 4.39 4.82 2x9yA1 THR 446 HB -0.02 -0.13 0.08 -0.04 4.32 4.20 2x9yA1 THR 446 HG23 -0.02 0.13 -0.15 -0.04 1.22 1.14 2x9yA1 TYR 447 H -0.09 0.61 0.22 -0.55 8.29 8.48 2x9yA1 TYR 447 HA -0.04 0.16 0.88 -0.75 4.56 4.80 2x9yA1 TYR 447 HB2 0.03 0.05 -0.18 -0.04 3.06 2.92 2x9yA1 TYR 447 HB3 0.02 0.02 0.13 -0.04 2.98 3.11 2x9yA1 TYR 447 HD2 0.02 0.01 -0.27 -0.04 7.15 6.87 2x9yA1 TYR 447 HE2 0.01 0.02 -0.11 -0.04 6.85 6.73 2x9yA1 GLY 448 H 0.14 0.28 0.20 -0.55 8.43 8.50 2x9yA1 GLY 448 HA2 0.06 0.09 0.51 -0.51 4.01 4.16 2x9yA1 GLY 448 HA3 0.00 0.07 0.41 -0.51 4.01 3.98 2x9yA1 LYS 449 H 0.07 0.64 0.32 -0.55 8.42 8.89 2x9yA1 LYS 449 HA -0.17 0.18 0.65 -0.75 4.32 4.23 2x9yA1 LYS 449 HB2 0.02 -0.01 -0.31 -0.04 1.87 1.53 2x9yA1 LYS 449 HB3 -0.25 -0.06 -0.06 -0.04 1.79 1.37 2x9yA1 LYS 449 HG2 -0.62 -0.07 -0.14 -0.04 1.46 0.59 2x9yA1 LYS 449 HG3 -1.22 0.14 -0.09 -0.04 1.46 0.25 2x9yA1 LYS 449 HD2 -0.22 0.13 0.15 -0.04 1.69 1.70 2x9yA1 LYS 449 HD3 0.02 0.06 0.01 -0.04 1.68 1.73 2x9yA1 LYS 449 HE2 -0.11 -0.01 0.09 -0.04 2.99 2.92 2x9yA1 LYS 449 HE3 -0.11 -0.10 0.03 -0.04 2.99 2.77 2x9yA1 LYS 450 H -0.58 0.32 0.26 -0.55 8.42 7.86 2x9yA1 LYS 450 HA -0.50 0.14 1.11 -0.75 4.32 4.32 2x9yA1 LYS 450 HB2 -0.66 0.24 0.24 -0.04 1.87 1.64 2x9yA1 LYS 450 HB3 -0.99 -0.03 0.08 -0.04 1.79 0.81 2x9yA1 LYS 450 HG2 -0.79 -0.05 -0.11 -0.04 1.46 0.47 2x9yA1 LYS 450 HG3 -1.19 0.07 -0.02 -0.04 1.46 0.28 2x9yA1 LYS 450 HD2 -2.77 -0.07 -0.03 -0.04 1.69 -1.22 2x9yA1 LYS 450 HD3 -1.17 -0.04 -0.04 -0.04 1.68 0.38 2x9yA1 LYS 450 HE2 -0.74 0.28 0.05 -0.04 2.99 2.54 2x9yA1 LYS 450 HE3 -0.62 -0.20 -0.03 -0.04 2.99 2.10 2x9yA1 PHE 451 H -0.24 0.53 0.42 -0.55 8.34 8.49 2x9yA1 PHE 451 HA -0.34 0.17 1.02 -0.75 4.62 4.71 2x9yA1 PHE 451 HB2 -2.02 0.03 -0.02 -0.04 3.15 1.10 2x9yA1 PHE 451 HB3 -0.92 0.02 -0.07 -0.04 3.06 2.05 2x9yA1 PHE 451 HD2 -0.38 0.06 -0.19 -0.04 7.28 6.73 2x9yA1 PHE 451 HE2 -0.47 -0.01 -0.18 -0.04 7.38 6.68 2x9yA1 PHE 451 HZ -2.56 -0.04 -0.20 -0.04 7.32 4.48 2x9yA1 VAL 452 H -0.07 0.71 0.25 -0.55 8.24 8.58 2x9yA1 VAL 452 HA -0.10 0.34 0.83 -0.75 4.13 4.45 2x9yA1 VAL 452 HB -0.03 -0.10 -0.13 -0.04 2.12 1.82 2x9yA1 VAL 452 HG13 -0.03 0.01 -0.22 -0.04 0.97 0.68 2x9yA1 VAL 452 HG23 -0.06 0.00 -0.34 -0.04 0.95 0.51 2x9yA1 LYS 453 H 0.13 0.91 0.36 -0.55 8.42 9.27 2x9yA1 LYS 453 HA 0.15 0.18 0.87 -0.75 4.32 4.77 2x9yA1 LYS 453 HB2 0.39 -0.03 0.13 -0.04 1.87 2.32 2x9yA1 LYS 453 HB3 0.13 0.06 0.33 -0.04 1.79 2.27 2x9yA1 LYS 453 HG2 0.17 -0.09 -0.04 -0.04 1.46 1.45 2x9yA1 LYS 453 HG3 0.02 -0.07 -0.12 -0.04 1.46 1.25 2x9yA1 LYS 453 HD2 0.08 0.20 0.10 -0.04 1.69 2.03 2x9yA1 LYS 453 HD3 0.25 -0.02 0.09 -0.04 1.68 1.95 2x9yA1 LYS 453 HE2 0.59 -0.06 -0.10 -0.04 2.99 3.38 2x9yA1 LYS 453 HE3 0.08 -0.05 -0.09 -0.04 2.99 2.89 2x9yA1 VAL 454 H 0.04 0.69 0.38 -0.55 8.24 8.80 2x9yA1 VAL 454 HA -0.01 0.36 0.97 -0.75 4.13 4.70 2x9yA1 VAL 454 HB 0.02 -0.13 -0.04 -0.04 2.12 1.93 2x9yA1 VAL 454 HG13 0.01 -0.01 -0.42 -0.04 0.97 0.50 2x9yA1 VAL 454 HG23 0.03 -0.01 -0.18 -0.04 0.95 0.74 2x9yA1 ASN 455 H 0.02 0.27 0.08 -0.55 8.53 8.35 2x9yA1 ASN 455 HA 0.04 0.18 1.02 -0.75 4.76 5.25 2x9yA1 ASN 455 HB2 0.24 -0.11 0.21 -0.04 2.88 3.18 2x9yA1 ASN 455 HB3 0.06 0.11 -0.04 -0.04 2.79 2.88 2x9yA1 ASN 455 HD21 0.11 -0.00 -0.04 -0.04 7.03 7.06 2x9yA1 ASN 455 HD22 0.28 0.11 -0.05 -0.04 7.74 8.03 2x9yA1 ASP 456 H 0.12 0.18 0.20 -0.55 8.40 8.36 2x9yA1 ASP 456 HA 0.05 0.13 0.45 -0.75 4.63 4.51 2x9yA1 LYS 457 H 0.06 0.05 -0.10 -0.55 8.42 7.87 2x9yA1 LYS 457 HA 0.03 0.21 0.53 -0.75 4.32 4.34 2x9yA1 ASP 458 H 0.04 0.39 -0.74 -0.55 8.40 7.53 2x9yA1 ASP 458 HA 0.02 0.10 0.22 -0.75 4.63 4.22 2x9yA1 ASN 459 H 0.04 -0.10 -0.52 -0.55 8.53 7.40 2x9yA1 ASN 459 HA 0.03 0.09 0.50 -0.75 4.76 4.62 2x9yA1 ASN 459 HB2 0.07 -0.14 -0.02 -0.04 2.88 2.75 2x9yA1 ASN 459 HB3 0.06 0.13 -0.04 -0.04 2.79 2.89 2x9yA1 ASN 459 HD21 0.04 0.01 -0.01 -0.04 7.03 7.04 2x9yA1 ASN 459 HD22 0.07 -0.02 -0.02 -0.04 7.74 7.72 2x9yA1 ARG 460 H 0.03 0.10 0.16 -0.55 8.46 8.19 2x9yA1 ARG 460 HA 0.01 0.34 0.76 -0.75 4.34 4.69 2x9yA1 ARG 460 HB2 0.01 -0.04 0.05 -0.04 1.90 1.87 2x9yA1 ARG 460 HB3 -0.01 -0.05 -0.58 -0.04 1.80 1.12 2x9yA1 ARG 460 HG2 -0.02 0.07 -0.13 -0.04 1.67 1.56 2x9yA1 ARG 460 HG3 -0.00 0.01 -0.07 -0.04 1.67 1.56 2x9yA1 ARG 460 HD2 -0.02 -0.10 0.06 -0.04 3.22 3.12 2x9yA1 ARG 460 HD3 -0.05 0.18 0.09 -0.04 3.22 3.40 2x9yA1 LEU 461 H 0.01 0.69 0.20 -0.55 8.37 8.72 2x9yA1 LEU 461 HA 0.03 0.14 0.81 -0.75 4.35 4.59 2x9yA1 LEU 461 HB2 -0.09 -0.03 -0.11 -0.04 1.64 1.37 2x9yA1 LEU 461 HB3 -0.13 0.04 -0.14 -0.04 1.64 1.36 2x9yA1 LEU 461 HG -0.11 0.05 -0.40 -0.04 1.64 1.14 2x9yA1 LEU 461 HD13 -0.76 -0.00 -0.29 -0.04 0.93 -0.17 2x9yA1 LEU 461 HD23 -0.02 0.03 -0.35 -0.04 0.89 0.51 2x9yA1 ALA 462 H 0.09 0.15 0.11 -0.55 8.40 8.21 2x9yA1 ALA 462 HA 0.00 0.26 0.51 -0.75 4.34 4.35 2x9yA1 ALA 462 HB3 -0.06 -0.02 -0.12 -0.04 1.41 1.17 2x9yA1 GLY 463 H -0.01 0.69 0.20 -0.55 8.43 8.76 2x9yA1 GLY 463 HA2 -0.05 0.03 0.26 -0.51 4.01 3.73 2x9yA1 GLY 463 HA3 -0.01 0.06 0.30 -0.51 4.01 3.84 2x9yA1 ALA 464 H -0.02 0.06 -0.26 -0.55 8.40 7.64 2x9yA1 ALA 464 HA -0.19 0.27 0.48 -0.75 4.34 4.14 2x9yA1 ALA 464 HB3 -0.07 -0.01 -0.02 -0.04 1.41 1.27 2x9yA1 GLU 465 H -0.43 0.64 0.36 -0.55 8.60 8.63 2x9yA1 GLU 465 HA -0.21 0.40 1.13 -0.75 4.29 4.86 2x9yA1 GLU 465 HB2 -0.20 -0.15 0.12 -0.04 2.09 1.81 2x9yA1 GLU 465 HB3 -0.14 0.05 -0.01 -0.04 1.99 1.85 2x9yA1 GLU 465 HG2 -0.14 0.02 -0.30 -0.04 2.34 1.87 2x9yA1 GLU 465 HG3 -0.16 0.17 -0.16 -0.04 2.34 2.15 2x9yA1 PHE 466 H -0.02 0.66 0.35 -0.55 8.34 8.78 2x9yA1 PHE 466 HA -0.09 0.21 1.09 -0.75 4.62 5.08 2x9yA1 PHE 466 HB2 -0.27 -0.04 -0.06 -0.04 3.15 2.73 2x9yA1 PHE 466 HB3 -0.11 0.01 -0.06 -0.04 3.06 2.86 2x9yA1 PHE 466 HD2 -0.46 0.05 -0.34 -0.04 7.28 6.49 2x9yA1 PHE 466 HE2 -0.30 -0.00 -0.20 -0.04 7.38 6.84 2x9yA1 PHE 466 HZ -0.07 0.02 -0.15 -0.04 7.32 7.08 2x9yA1 VAL 467 H 0.15 0.61 0.37 -0.55 8.24 8.82 2x9yA1 VAL 467 HA 0.12 0.33 0.85 -0.75 4.13 4.68 2x9yA1 VAL 467 HB 0.13 -0.01 0.17 -0.04 2.12 2.37 2x9yA1 VAL 467 HG13 -0.02 0.04 -0.16 -0.04 0.97 0.79 2x9yA1 VAL 467 HG23 0.10 0.01 -0.10 -0.04 0.95 0.91 2x9yA1 ILE 468 H 0.19 0.24 0.26 -0.55 8.25 8.39 2x9yA1 ILE 468 HA 0.34 0.30 1.10 -0.75 4.18 5.16 2x9yA1 ILE 468 HB 0.14 -0.05 0.14 -0.04 1.89 2.07 2x9yA1 ILE 468 HG12 0.33 0.04 -0.21 -0.04 1.49 1.61 2x9yA1 ILE 468 HG13 0.16 -0.03 -0.26 -0.04 1.21 1.04 2x9yA1 ILE 468 HG23 0.50 -0.01 -0.13 -0.04 0.93 1.25 2x9yA1 ILE 468 HD13 0.17 -0.00 -0.14 -0.04 0.88 0.86 2x9yA1 ALA 469 H 0.36 0.61 0.36 -0.55 8.40 9.18 2x9yA1 ALA 469 HA 0.25 0.35 1.09 -0.75 4.34 5.28 2x9yA1 ALA 469 HB3 -0.04 0.00 0.00 -0.04 1.41 1.33 2x9yA1 ASN 470 H -0.13 0.31 0.21 -0.55 8.53 8.37 2x9yA1 ASN 470 HA -0.20 0.24 0.94 -0.75 4.76 4.98 2x9yA1 ASN 470 HB2 -0.80 0.03 0.18 -0.04 2.88 2.25 2x9yA1 ASN 470 HB3 -1.90 0.01 -0.04 -0.04 2.79 0.82 2x9yA1 ASN 470 HD21 -0.41 -0.05 -0.02 -0.04 7.03 6.51 2x9yA1 ASN 470 HD22 -1.03 0.05 -0.02 -0.04 7.74 6.70 2x9yA1 ALA 471 H -0.16 0.25 -0.16 -0.55 8.40 7.79 2x9yA1 ALA 471 HA -0.37 0.13 0.38 -0.75 4.34 3.73 2x9yA1 ALA 471 HB3 -0.24 0.03 -0.07 -0.04 1.41 1.09 2x9yA1 ASP 472 H -0.69 0.15 0.06 -0.55 8.40 7.38 2x9yA1 ASP 472 HA -0.94 0.07 0.29 -0.75 4.63 3.30 2x9yA1 ASP 472 HB2 -0.34 -0.01 0.08 -0.04 2.71 2.40 2x9yA1 ASP 472 HB3 -0.23 -0.01 0.03 -0.04 2.70 2.45 2x9yA1 ASN 473 H -0.26 0.14 -0.29 -0.55 8.53 7.58 2x9yA1 ASN 473 HA -0.09 0.18 0.23 -0.75 4.76 4.33 2x9yA1 ASN 473 HB2 -0.05 -0.05 0.01 -0.04 2.88 2.75 2x9yA1 ASN 473 HB3 -0.04 0.14 0.17 -0.04 2.79 3.02 2x9yA1 ASN 473 HD21 -0.05 -0.03 -0.11 -0.04 7.03 6.80 2x9yA1 ASN 473 HD22 -0.03 0.09 -0.08 -0.04 7.74 7.67 2x9yA1 ALA 474 H -0.03 0.14 0.08 -0.55 8.40 8.04 2x9yA1 ALA 474 HA -0.02 0.05 0.33 -0.75 4.34 3.95 2x9yA1 ALA 474 HB3 -0.06 0.06 0.22 -0.04 1.41 1.59 2x9yA1 GLY 475 H -0.09 0.04 0.14 -0.55 8.43 7.97 2x9yA1 GLY 475 HA2 -0.13 -0.01 0.29 -0.51 4.01 3.65 2x9yA1 GLY 475 HA3 -0.20 0.00 0.20 -0.51 4.01 3.50 2x9yA1 GLN 476 H -0.17 0.03 0.13 -0.55 8.47 7.91 2x9yA1 GLN 476 HA -0.02 0.29 0.84 -0.75 4.36 4.71 2x9yA1 GLN 476 HB2 0.13 -0.05 -0.10 -0.04 2.15 2.09 2x9yA1 GLN 476 HB3 0.28 0.01 -0.24 -0.04 2.02 2.03 2x9yA1 GLN 476 HG2 0.10 0.05 -0.27 -0.04 2.40 2.23 2x9yA1 GLN 476 HG3 0.07 0.02 -0.38 -0.04 2.39 2.07 2x9yA1 GLN 476 HE21 -0.05 -0.02 -0.12 -0.04 6.97 6.75 2x9yA1 GLN 476 HE22 0.00 0.07 -0.24 -0.04 7.69 7.48 2x9yA1 TYR 477 H 0.36 0.79 0.33 -0.55 8.29 9.23 2x9yA1 TYR 477 HA 0.37 0.33 1.18 -0.75 4.56 5.69 2x9yA1 TYR 477 HB2 0.10 -0.08 -0.07 -0.04 3.06 2.96 2x9yA1 TYR 477 HB3 0.10 0.07 0.05 -0.04 2.98 3.16 2x9yA1 TYR 477 HD2 0.12 0.04 -0.24 -0.04 7.15 7.03 2x9yA1 TYR 477 HE2 0.07 0.05 -0.07 -0.04 6.85 6.85 2x9yA1 LEU 478 H 0.08 0.58 0.32 -0.55 8.37 8.81 2x9yA1 LEU 478 HA -1.09 0.11 0.57 -0.75 4.35 3.19 2x9yA1 LEU 478 HB2 -0.63 -0.00 0.08 -0.04 1.64 1.04 2x9yA1 LEU 478 HB3 -0.25 -0.06 0.23 -0.04 1.64 1.52 2x9yA1 LEU 478 HG -0.73 0.04 -0.15 -0.04 1.64 0.76 2x9yA1 LEU 478 HD13 -1.17 0.01 -0.06 -0.04 0.93 -0.32 2x9yA1 LEU 478 HD23 -0.62 -0.00 -0.08 -0.04 0.89 0.14 2x9yA1 ALA 479 H -0.28 0.70 0.48 -0.55 8.40 8.75 2x9yA1 ALA 479 HA 0.01 0.12 0.90 -0.75 4.34 4.62 2x9yA1 ALA 479 HB3 0.02 -0.03 -0.24 -0.04 1.41 1.11 2x9yA1 ARG 480 H 0.06 0.62 0.19 -0.55 8.46 8.77 2x9yA1 ARG 480 HA 0.04 0.33 0.95 -0.75 4.34 4.90 2x9yA1 ARG 480 HB2 -0.07 0.06 0.15 -0.04 1.90 2.00 2x9yA1 ARG 480 HB3 0.03 -0.02 0.08 -0.04 1.80 1.85 2x9yA1 ARG 480 HG2 0.02 0.16 0.18 -0.04 1.67 2.00 2x9yA1 ARG 480 HG3 -0.01 -0.08 -0.19 -0.04 1.67 1.35 2x9yA1 ARG 480 HD2 -0.00 -0.07 -0.04 -0.04 3.22 3.06 2x9yA1 ARG 480 HD3 -0.03 0.15 -0.10 -0.04 3.22 3.20 2x9yA1 LYS 481 H -0.06 0.51 0.11 -0.55 8.42 8.43 2x9yA1 LYS 481 HA -0.00 0.01 0.41 -0.75 4.32 3.98 2x9yA1 LYS 481 HB2 -0.05 0.09 -0.05 -0.04 1.87 1.82 2x9yA1 LYS 481 HB3 -0.02 -0.13 -0.15 -0.04 1.79 1.45 2x9yA1 LYS 481 HG2 0.01 -0.07 -0.08 -0.04 1.46 1.28 2x9yA1 LYS 481 HG3 0.01 0.03 -0.33 -0.04 1.46 1.12 2x9yA1 LYS 481 HD2 -0.02 0.05 -0.17 -0.04 1.69 1.52 2x9yA1 LYS 481 HD3 -0.01 -0.02 -0.11 -0.04 1.68 1.50 2x9yA1 LYS 481 HE2 0.02 -0.05 -0.05 -0.04 2.99 2.87 2x9yA1 LYS 481 HE3 0.03 -0.02 -0.09 -0.04 2.99 2.88 2x9yA1 ALA 482 H 0.00 0.12 0.16 -0.55 8.40 8.13 2x9yA1 ALA 482 HA -0.01 0.17 0.39 -0.75 4.34 4.13 2x9yA1 ALA 482 HB3 0.00 0.01 0.09 -0.04 1.41 1.47 2x9yA1 ASP 483 H -0.01 0.06 -0.12 -0.55 8.40 7.78 2x9yA1 ASP 483 HA -0.01 0.17 0.52 -0.75 4.63 4.55 2x9yA1 ASP 483 HB2 -0.01 0.05 0.14 -0.04 2.71 2.84 2x9yA1 ASP 483 HB3 -0.01 -0.03 0.06 -0.04 2.70 2.68 2x9yA1 LYS 484 H -0.03 0.23 -0.74 -0.55 8.42 7.33 2x9yA1 LYS 484 HA -0.03 0.19 0.82 -0.75 4.32 4.55 2x9yA1 LYS 484 HB2 -0.06 0.02 -0.07 -0.04 1.87 1.72 2x9yA1 LYS 484 HB3 -0.06 0.03 0.05 -0.04 1.79 1.76 2x9yA1 LYS 484 HG2 -0.03 -0.16 -0.32 -0.04 1.46 0.91 2x9yA1 LYS 484 HG3 -0.05 0.05 -0.11 -0.04 1.46 1.31 2x9yA1 LYS 484 HD2 -0.04 0.01 0.01 -0.04 1.69 1.64 2x9yA1 LYS 484 HD3 -0.03 0.22 0.02 -0.04 1.68 1.85 2x9yA1 LYS 484 HE2 -0.03 -0.08 -0.12 -0.04 2.99 2.73 2x9yA1 LYS 484 HE3 -0.03 0.03 -0.04 -0.04 2.99 2.91 2x9yA1 VAL 485 H -0.03 0.31 -0.10 -0.55 8.24 7.87 2x9yA1 VAL 485 HA -0.03 0.16 1.03 -0.75 4.13 4.53 2x9yA1 VAL 485 HB -0.04 0.13 0.00 -0.04 2.12 2.17 2x9yA1 VAL 485 HG13 -0.02 -0.02 0.05 -0.04 0.97 0.94 2x9yA1 VAL 485 HG23 -0.03 0.02 0.02 -0.04 0.95 0.92 2x9yA1 SER 486 H -0.02 0.14 0.16 -0.55 8.46 8.19 2x9yA1 SER 486 HA -0.01 0.20 0.57 -0.75 4.49 4.50 2x9yA1 SER 486 HB2 -0.01 -0.04 0.17 -0.04 3.95 4.03 2x9yA1 SER 486 HB3 -0.01 0.15 0.11 -0.04 3.93 4.14 2x9yA1 GLN 487 H -0.01 0.20 0.20 -0.55 8.47 8.32 2x9yA1 GLN 487 HA -0.00 0.14 0.42 -0.75 4.36 4.17 2x9yA1 GLU 488 H -0.00 0.08 -0.13 -0.55 8.60 8.01 2x9yA1 GLU 488 HA 0.00 0.12 0.47 -0.75 4.29 4.12 2x9yA1 GLU 489 H -0.01 0.07 -0.23 -0.55 8.60 7.88 2x9yA1 GLU 489 HA -0.01 0.09 0.50 -0.75 4.29 4.12 2x9yA1 GLU 489 HB2 -0.02 -0.02 0.16 -0.04 2.09 2.17 2x9yA1 GLU 489 HB3 -0.03 0.10 0.00 -0.04 1.99 2.02 2x9yA1 GLU 489 HG2 -0.02 0.08 -0.05 -0.04 2.34 2.31 2x9yA1 GLU 489 HG3 -0.02 -0.11 0.00 -0.04 2.34 2.17 2x9yA1 LYS 490 H -0.01 0.43 -0.17 -0.55 8.42 8.12 2x9yA1 LYS 490 HA -0.00 0.11 0.51 -0.75 4.32 4.19 2x9yA1 LYS 490 HB2 0.00 0.04 0.10 -0.04 1.87 1.97 2x9yA1 LYS 490 HB3 0.01 -0.02 0.00 -0.04 1.79 1.73 2x9yA1 LYS 490 HG2 -0.00 0.01 -0.03 -0.04 1.46 1.40 2x9yA1 LYS 490 HG3 -0.01 0.04 -0.06 -0.04 1.46 1.39 2x9yA1 LYS 490 HD2 -0.01 0.15 -0.11 -0.04 1.69 1.68 2x9yA1 LYS 490 HD3 -0.00 -0.09 -0.12 -0.04 1.68 1.42 2x9yA1 LYS 490 HE2 0.00 -0.00 -0.06 -0.04 2.99 2.89 2x9yA1 LYS 490 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.90 2x9yA1 GLN 491 H 0.00 0.44 -0.23 -0.55 8.47 8.13 2x9yA1 GLN 491 HA 0.01 0.04 0.56 -0.75 4.36 4.22 2x9yA1 GLN 491 HB2 0.01 0.12 0.24 -0.04 2.15 2.47 2x9yA1 GLN 491 HB3 0.01 -0.04 0.01 -0.04 2.02 1.96 2x9yA1 GLN 491 HG2 0.01 0.03 0.04 -0.04 2.40 2.44 2x9yA1 GLN 491 HG3 0.01 -0.04 0.02 -0.04 2.39 2.34 2x9yA1 GLN 491 HE21 0.01 -0.00 0.01 -0.04 6.97 6.95 2x9yA1 GLN 491 HE22 0.01 0.01 -0.01 -0.04 7.69 7.66 2x9yA1 LEU 492 H 0.00 0.36 -0.30 -0.55 8.37 7.89 2x9yA1 LEU 492 HA 0.02 0.01 0.56 -0.75 4.35 4.18 2x9yA1 LEU 492 HB2 0.00 0.07 0.15 -0.04 1.64 1.83 2x9yA1 LEU 492 HB3 -0.01 0.17 0.18 -0.04 1.64 1.93 2x9yA1 LEU 492 HG 0.00 -0.01 -0.06 -0.04 1.64 1.53 2x9yA1 LEU 492 HD13 0.02 -0.03 0.07 -0.04 0.93 0.95 2x9yA1 LEU 492 HD23 -0.00 0.00 0.01 -0.04 0.89 0.85 2x9yA1 VAL 493 H 0.00 0.46 -0.13 -0.55 8.24 8.02 2x9yA1 VAL 493 HA 0.01 0.02 0.43 -0.75 4.13 3.83 2x9yA1 VAL 493 HB 0.02 0.14 0.17 -0.04 2.12 2.41 2x9yA1 VAL 493 HG13 0.08 0.00 -0.08 -0.04 0.97 0.92 2x9yA1 VAL 493 HG23 -0.06 0.04 -0.02 -0.04 0.95 0.87 2x9yA1 VAL 494 H 0.04 0.30 -0.37 -0.55 8.24 7.67 2x9yA1 VAL 494 HA 0.06 0.08 0.44 -0.75 4.13 3.96 2x9yA1 VAL 494 HB 0.03 0.06 0.20 -0.04 2.12 2.36 2x9yA1 VAL 494 HG13 0.02 -0.02 -0.12 -0.04 0.97 0.81 2x9yA1 VAL 494 HG23 0.03 0.06 0.06 -0.04 0.95 1.05 2x9yA1 THR 495 H 0.04 0.62 0.01 -0.55 8.28 8.40 2x9yA1 THR 495 HA 0.03 0.01 0.46 -0.75 4.39 4.13 2x9yA1 THR 495 HB 0.02 -0.05 0.04 -0.04 4.32 4.30 2x9yA1 THR 495 HG23 0.02 0.01 0.08 -0.04 1.22 1.28 2x9yA1 THR 496 H 0.08 0.64 -0.12 -0.55 8.28 8.33 2x9yA1 THR 496 HA 0.07 0.00 0.51 -0.75 4.39 4.22 2x9yA1 THR 496 HB 0.19 -0.09 -0.11 -0.04 4.32 4.27 2x9yA1 THR 496 HG23 0.05 0.02 -0.02 -0.04 1.22 1.24 2x9yA1 LYS 497 H 0.16 0.47 -0.28 -0.55 8.42 8.22 2x9yA1 LYS 497 HA -0.22 0.01 0.52 -0.75 4.32 3.88 2x9yA1 LYS 497 HB2 0.18 0.14 0.18 -0.04 1.87 2.34 2x9yA1 LYS 497 HB3 0.05 0.11 0.23 -0.04 1.79 2.14 2x9yA1 LYS 497 HG2 -0.03 0.03 -0.01 -0.04 1.46 1.41 2x9yA1 LYS 497 HG3 -0.08 -0.06 -0.18 -0.04 1.46 1.09 2x9yA1 LYS 497 HD2 -0.33 -0.12 0.08 -0.04 1.69 1.27 2x9yA1 LYS 497 HD3 -0.75 0.04 0.04 -0.04 1.68 0.97 2x9yA1 LYS 497 HE2 -0.26 -0.01 -0.07 -0.04 2.99 2.61 2x9yA1 LYS 497 HE3 -0.12 0.06 -0.05 -0.04 2.99 2.84 2x9yA1 ASP 498 H 0.02 0.58 -0.07 -0.55 8.40 8.38 2x9yA1 ASP 498 HA -0.02 0.01 0.44 -0.75 4.63 4.30 2x9yA1 ALA 499 H 0.01 0.55 -0.15 -0.55 8.40 8.27 2x9yA1 ALA 499 HA 0.00 -0.01 0.47 -0.75 4.34 4.06 2x9yA1 ALA 499 HB3 0.02 0.03 0.13 -0.04 1.41 1.54 2x9yA1 LEU 500 H -0.03 0.50 -0.31 -0.55 8.37 7.99 2x9yA1 LEU 500 HA -0.03 -0.04 0.50 -0.75 4.35 4.03 2x9yA1 LEU 500 HB2 -0.07 0.12 0.07 -0.04 1.64 1.72 2x9yA1 LEU 500 HB3 -0.18 0.17 0.19 -0.04 1.64 1.78 2x9yA1 LEU 500 HG -0.12 -0.02 -0.20 -0.04 1.64 1.25 2x9yA1 LEU 500 HD13 -0.04 -0.05 -0.11 -0.04 0.93 0.70 2x9yA1 LEU 500 HD23 -0.27 0.01 -0.05 -0.04 0.89 0.54 2x9yA1 ASP 501 H -0.07 0.66 -0.04 -0.55 8.40 8.41 2x9yA1 ASP 501 HA -0.05 0.01 0.37 -0.75 4.63 4.20 2x9yA1 ASP 501 HB2 -0.03 0.14 0.19 -0.04 2.71 2.96 2x9yA1 ASP 501 HB3 -0.03 -0.06 0.02 -0.04 2.70 2.58 2x9yA1 ARG 502 H -0.02 0.47 -0.25 -0.55 8.46 8.11 2x9yA1 ARG 502 HA 0.00 0.02 0.48 -0.75 4.34 4.09 2x9yA1 ARG 502 HB2 0.00 0.11 0.13 -0.04 1.90 2.09 2x9yA1 ARG 502 HB3 0.00 -0.06 0.05 -0.04 1.80 1.75 2x9yA1 ARG 502 HG2 -0.00 -0.05 0.02 -0.04 1.67 1.59 2x9yA1 ARG 502 HG3 -0.01 0.30 0.10 -0.04 1.67 2.02 2x9yA1 ARG 502 HD2 0.00 -0.04 0.01 -0.04 3.22 3.15 2x9yA1 ARG 502 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.14 2x9yA1 ALA 503 H -0.00 0.49 -0.13 -0.55 8.40 8.21 2x9yA1 ALA 503 HA 0.02 -0.01 0.47 -0.75 4.34 4.07 2x9yA1 ALA 503 HB3 -0.01 0.03 0.13 -0.04 1.41 1.51 2x9yA1 VAL 504 H -0.01 0.66 -0.15 -0.55 8.24 8.19 2x9yA1 VAL 504 HA 0.06 -0.03 0.41 -0.75 4.13 3.82 2x9yA1 VAL 504 HB -0.01 0.15 0.14 -0.04 2.12 2.36 2x9yA1 VAL 504 HG13 0.04 -0.00 -0.18 -0.04 0.97 0.78 2x9yA1 VAL 504 HG23 -0.04 -0.00 -0.02 -0.04 0.95 0.85 2x9yA1 ALA 505 H 0.02 0.61 -0.07 -0.55 8.40 8.42 2x9yA1 ALA 505 HA 0.03 0.01 0.43 -0.75 4.34 4.05 2x9yA1 ALA 505 HB3 0.01 0.02 0.12 -0.04 1.41 1.52 2x9yA1 ALA 506 H 0.04 0.69 -0.08 -0.55 8.40 8.51 2x9yA1 ALA 506 HA 0.02 -0.01 0.42 -0.75 4.34 4.02 2x9yA1 ALA 506 HB3 0.04 0.01 0.11 -0.04 1.41 1.53 2x9yA1 TYR 507 H 0.16 0.56 -0.21 -0.55 8.29 8.25 2x9yA1 TYR 507 HA 0.00 -0.06 0.35 -0.75 4.56 4.10 2x9yA1 TYR 507 HB2 0.00 0.02 0.13 -0.04 3.06 3.16 2x9yA1 TYR 507 HB3 0.00 0.14 0.19 -0.04 2.98 3.26 2x9yA1 TYR 507 HD2 0.01 0.01 -0.11 -0.04 7.15 7.02 2x9yA1 TYR 507 HE2 0.01 -0.05 -0.05 -0.04 6.85 6.72 2x9yA1 ASN 508 H 0.09 0.60 -0.12 -0.55 8.53 8.56 2x9yA1 ASN 508 HA -0.10 0.04 0.48 -0.75 4.76 4.42 2x9yA1 ASN 508 HB2 0.03 0.09 0.14 -0.04 2.88 3.10 2x9yA1 ASN 508 HB3 0.01 -0.07 0.03 -0.04 2.79 2.71 2x9yA1 ASN 508 HD21 0.07 -0.05 -0.02 -0.04 7.03 7.00 2x9yA1 ASN 508 HD22 0.05 -0.01 -0.07 -0.04 7.74 7.67 2x9yA1 ALA 509 H -0.01 0.42 -0.29 -0.55 8.40 7.98 2x9yA1 ALA 509 HA -0.02 -0.01 0.42 -0.75 4.34 3.97 2x9yA1 ALA 509 HB3 -0.01 0.00 0.11 -0.04 1.41 1.47 2x9yA1 LEU 510 H -0.11 0.31 -0.61 -0.55 8.37 7.41 2x9yA1 LEU 510 HA -0.05 -0.04 0.54 -0.75 4.35 4.05 2x9yA1 LEU 510 HB2 -0.22 0.16 0.03 -0.04 1.64 1.57 2x9yA1 LEU 510 HB3 -0.09 -0.17 -0.02 -0.04 1.64 1.31 2x9yA1 LEU 510 HG -0.07 0.28 0.08 -0.04 1.64 1.90 2x9yA1 LEU 510 HD13 -0.02 -0.02 -0.07 -0.04 0.93 0.77 2x9yA1 LEU 510 HD23 -0.02 -0.04 -0.08 -0.04 0.89 0.71 2x9yA1 THR 511 H -0.05 0.02 0.17 -0.55 8.28 7.88 2x9yA1 THR 511 HA -0.05 0.20 0.58 -0.75 4.39 4.37 2x9yA1 THR 511 HB -0.03 -0.05 0.19 -0.04 4.32 4.38 2x9yA1 THR 511 HG23 -0.02 0.04 0.10 -0.04 1.22 1.30 2x9yA1 ALA 512 H -0.03 0.15 0.17 -0.55 8.40 8.13 2x9yA1 ALA 512 HA -0.05 0.19 0.40 -0.75 4.34 4.12 2x9yA1 ALA 512 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 2x9yA1 GLN 513 H -0.02 0.04 -0.11 -0.55 8.47 7.84 2x9yA1 GLN 513 HA -0.01 0.15 0.38 -0.75 4.36 4.13 2x9yA1 GLN 513 HB2 -0.01 -0.01 0.08 -0.04 2.15 2.16 2x9yA1 GLN 513 HB3 -0.01 -0.02 -0.01 -0.04 2.02 1.95 2x9yA1 GLN 513 HG2 -0.00 0.01 -0.03 -0.04 2.40 2.34 2x9yA1 GLN 513 HG3 -0.00 0.02 0.04 -0.04 2.39 2.41 2x9yA1 GLN 513 HE21 -0.00 0.01 -0.02 -0.04 6.97 6.92 2x9yA1 GLN 513 HE22 -0.00 -0.00 -0.08 -0.04 7.69 7.56 2x9yA1 GLN 514 H -0.03 0.05 -0.44 -0.55 8.47 7.50 2x9yA1 GLN 514 HA -0.01 0.05 0.44 -0.75 4.36 4.10 2x9yA1 GLN 514 HB2 -0.04 0.08 0.08 -0.04 2.15 2.23 2x9yA1 GLN 514 HB3 -0.02 0.01 0.08 -0.04 2.02 2.04 2x9yA1 GLN 514 HG2 -0.01 0.03 0.03 -0.04 2.40 2.41 2x9yA1 GLN 514 HG3 -0.02 -0.09 -0.01 -0.04 2.39 2.23 2x9yA1 GLN 514 HE21 -0.01 0.05 0.04 -0.04 6.97 7.00 2x9yA1 GLN 514 HE22 -0.01 0.00 0.02 -0.04 7.69 7.66 2x9yA1 GLN 515 H -0.05 0.34 -0.47 -0.55 8.47 7.74 2x9yA1 GLN 515 HA -0.01 -0.02 0.59 -0.75 4.36 4.17 2x9yA1 GLN 515 HB2 -0.08 0.15 0.21 -0.04 2.15 2.39 2x9yA1 GLN 515 HB3 -0.01 -0.07 0.13 -0.04 2.02 2.04 2x9yA1 GLN 515 HG2 -0.85 -0.05 0.03 -0.04 2.40 1.50 2x9yA1 GLN 515 HG3 -0.28 0.04 -0.07 -0.04 2.39 2.03 2x9yA1 GLN 515 HE21 -0.36 -0.09 -0.02 -0.04 6.97 6.46 2x9yA1 GLN 515 HE22 -0.84 0.52 0.06 -0.04 7.69 7.39 2x9yA1 THR 516 H 0.05 0.31 0.24 -0.55 8.28 8.34 2x9yA1 THR 516 HA 0.04 0.25 0.56 -0.75 4.39 4.47 2x9yA1 THR 516 HB 0.03 -0.11 0.22 -0.04 4.32 4.41 2x9yA1 THR 516 HG23 0.02 0.10 0.01 -0.04 1.22 1.30 2x9yA1 GLN 517 H 0.03 0.21 0.19 -0.55 8.47 8.35 2x9yA1 GLN 517 HA 0.03 0.13 0.45 -0.75 4.36 4.22 2x9yA1 GLN 518 H 0.03 0.08 -0.16 -0.55 8.47 7.87 2x9yA1 GLN 518 HA 0.02 0.12 0.44 -0.75 4.36 4.19 2x9yA1 GLU 519 H 0.06 0.06 -0.16 -0.55 8.60 8.02 2x9yA1 GLU 519 HA 0.08 0.09 0.52 -0.75 4.29 4.22 2x9yA1 GLU 519 HB2 0.18 0.08 0.18 -0.04 2.09 2.49 2x9yA1 GLU 519 HB3 0.22 0.07 0.06 -0.04 1.99 2.30 2x9yA1 GLU 519 HG2 0.05 -0.17 0.19 -0.04 2.34 2.37 2x9yA1 GLU 519 HG3 0.05 0.34 0.22 -0.04 2.34 2.91 2x9yA1 LYS 520 H 0.12 0.66 -0.08 -0.55 8.42 8.57 2x9yA1 LYS 520 HA -0.23 0.01 0.45 -0.75 4.32 3.80 2x9yA1 LYS 520 HB2 0.03 0.07 0.11 -0.04 1.87 2.03 2x9yA1 LYS 520 HB3 -0.05 -0.09 -0.03 -0.04 1.79 1.59 2x9yA1 LYS 520 HG2 0.11 -0.02 0.05 -0.04 1.46 1.56 2x9yA1 LYS 520 HG3 0.24 0.12 -0.06 -0.04 1.46 1.72 2x9yA1 LYS 520 HD2 0.06 -0.08 -0.11 -0.04 1.69 1.52 2x9yA1 LYS 520 HD3 0.04 0.02 -0.02 -0.04 1.68 1.68 2x9yA1 LYS 520 HE2 0.18 0.03 0.04 -0.04 2.99 3.20 2x9yA1 LYS 520 HE3 0.14 0.20 -0.04 -0.04 2.99 3.25 2x9yA1 GLU 521 H 0.01 0.46 -0.38 -0.55 8.60 8.14 2x9yA1 GLU 521 HA -0.02 -0.04 0.40 -0.75 4.29 3.88 2x9yA1 LYS 522 H -0.00 0.43 -0.31 -0.55 8.42 7.99 2x9yA1 LYS 522 HA -0.00 0.01 0.48 -0.75 4.32 4.06 2x9yA1 LYS 522 HB2 0.02 0.27 0.26 -0.04 1.87 2.38 2x9yA1 LYS 522 HB3 0.01 -0.05 0.05 -0.04 1.79 1.76 2x9yA1 LYS 522 HG2 0.01 -0.05 0.07 -0.04 1.46 1.45 2x9yA1 LYS 522 HG3 0.02 0.14 0.11 -0.04 1.46 1.69 2x9yA1 LYS 522 HD2 0.04 -0.01 0.06 -0.04 1.69 1.74 2x9yA1 LYS 522 HD3 0.03 -0.01 0.04 -0.04 1.68 1.70 2x9yA1 LYS 522 HE2 0.02 -0.01 0.00 -0.04 2.99 2.96 2x9yA1 LYS 522 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.93 2x9yA1 VAL 523 H -0.10 0.39 -0.07 -0.55 8.24 7.92 2x9yA1 VAL 523 HA -0.07 0.06 0.51 -0.75 4.13 3.88 2x9yA1 VAL 523 HB -0.32 -0.00 0.21 -0.04 2.12 1.96 2x9yA1 VAL 523 HG13 -0.17 -0.02 -0.06 -0.04 0.97 0.69 2x9yA1 VAL 523 HG23 -0.36 0.07 -0.02 -0.04 0.95 0.60 2x9yA1 ASP 524 H -0.09 0.72 0.07 -0.55 8.40 8.54 2x9yA1 ASP 524 HA -0.04 -0.08 0.48 -0.75 4.63 4.23 2x9yA1 ASP 524 HB2 -0.04 0.15 0.15 -0.04 2.71 2.93 2x9yA1 ASP 524 HB3 -0.03 -0.00 0.04 -0.04 2.70 2.67 2x9yA1 LYS 525 H -0.02 0.51 -0.36 -0.55 8.42 8.01 2x9yA1 LYS 525 HA 0.01 0.01 0.51 -0.75 4.32 4.10 2x9yA1 LYS 525 HB2 0.00 0.02 0.13 -0.04 1.87 1.98 2x9yA1 LYS 525 HB3 0.00 0.15 0.23 -0.04 1.79 2.13 2x9yA1 LYS 525 HG2 0.01 0.01 -0.20 -0.04 1.46 1.24 2x9yA1 LYS 525 HG3 0.01 -0.07 0.02 -0.04 1.46 1.39 2x9yA1 LYS 525 HD2 0.01 -0.00 0.01 -0.04 1.69 1.67 2x9yA1 LYS 525 HD3 0.01 0.01 0.01 -0.04 1.68 1.66 2x9yA1 LYS 525 HE2 0.01 -0.00 -0.02 -0.04 2.99 2.94 2x9yA1 LYS 525 HE3 0.01 -0.02 -0.00 -0.04 2.99 2.94 2x9yA1 ALA 526 H -0.00 0.57 0.06 -0.55 8.40 8.49 2x9yA1 ALA 526 HA 0.03 -0.00 0.46 -0.75 4.34 4.07 2x9yA1 ALA 526 HB3 -0.00 0.02 0.12 -0.04 1.41 1.50 2x9yA1 GLN 527 H 0.01 0.58 -0.21 -0.55 8.47 8.30 2x9yA1 GLN 527 HA 0.10 0.05 0.45 -0.75 4.36 4.21 2x9yA1 GLN 527 HB2 0.00 0.01 0.05 -0.04 2.15 2.18 2x9yA1 GLN 527 HB3 0.03 0.02 0.12 -0.04 2.02 2.15 2x9yA1 GLN 527 HG2 0.15 -0.08 0.12 -0.04 2.40 2.55 2x9yA1 GLN 527 HG3 0.06 0.10 -0.16 -0.04 2.39 2.35 2x9yA1 GLN 527 HE21 0.15 -0.09 0.03 -0.04 6.97 7.01 2x9yA1 GLN 527 HE22 0.18 0.49 0.29 -0.04 7.69 8.61 2x9yA1 ALA 528 H 0.05 0.45 -0.19 -0.55 8.40 8.16 2x9yA1 ALA 528 HA 0.07 0.01 0.54 -0.75 4.34 4.21 2x9yA1 ALA 528 HB3 0.04 0.04 0.16 -0.04 1.41 1.61 2x9yA1 ALA 529 H 0.06 0.52 -0.03 -0.55 8.40 8.40 2x9yA1 ALA 529 HA 0.04 0.01 0.46 -0.75 4.34 4.09 2x9yA1 ALA 529 HB3 0.05 0.04 0.12 -0.04 1.41 1.57 2x9yA1 TYR 530 H 0.17 0.38 -0.36 -0.55 8.29 7.93 2x9yA1 TYR 530 HA 0.02 0.03 0.49 -0.75 4.56 4.34 2x9yA1 TYR 530 HB2 0.01 0.09 -0.00 -0.04 3.06 3.12 2x9yA1 TYR 530 HB3 0.02 0.11 0.18 -0.04 2.98 3.26 2x9yA1 TYR 530 HD2 0.03 -0.02 -0.07 -0.04 7.15 7.05 2x9yA1 TYR 530 HE2 0.02 0.08 0.10 -0.04 6.85 7.01 2x9yA1 ASN 531 H 0.12 0.58 -0.01 -0.55 8.53 8.67 2x9yA1 ASN 531 HA -0.11 0.00 0.51 -0.75 4.76 4.40 2x9yA1 ASN 531 HB2 0.12 0.00 0.23 -0.04 2.88 3.19 2x9yA1 ASN 531 HB3 0.06 0.00 0.18 -0.04 2.79 2.99 2x9yA1 ASN 531 HD21 0.08 -0.02 -0.05 -0.04 7.03 7.01 2x9yA1 ASN 531 HD22 0.06 0.02 -0.09 -0.04 7.74 7.70 2x9yA1 ALA 532 H 0.00 0.68 -0.07 -0.55 8.40 8.46 2x9yA1 ALA 532 HA -0.01 0.04 0.42 -0.75 4.34 4.04 2x9yA1 ALA 532 HB3 0.00 0.03 0.09 -0.04 1.41 1.49 2x9yA1 ALA 533 H -0.07 0.44 -0.29 -0.55 8.40 7.94 2x9yA1 ALA 533 HA -0.05 -0.01 0.43 -0.75 4.34 3.96 2x9yA1 ALA 533 HB3 -0.07 0.02 0.02 -0.04 1.41 1.34 2x9yA1 VAL 534 H -0.25 0.43 -0.22 -0.55 8.24 7.65 2x9yA1 VAL 534 HA -0.15 0.03 0.53 -0.75 4.13 3.78 2x9yA1 VAL 534 HB -0.26 0.05 0.27 -0.04 2.12 2.14 2x9yA1 VAL 534 HG13 -0.03 -0.01 -0.12 -0.04 0.97 0.77 2x9yA1 VAL 534 HG23 -0.67 0.04 0.09 -0.04 0.95 0.36 2x9yA1 ILE 535 H -0.06 0.69 0.08 -0.55 8.25 8.40 2x9yA1 ILE 535 HA -0.01 0.04 0.50 -0.75 4.18 3.96 2x9yA1 ILE 535 HB -0.02 0.04 0.16 -0.04 1.89 2.03 2x9yA1 ILE 535 HG12 0.02 -0.04 0.06 -0.04 1.49 1.49 2x9yA1 ILE 535 HG13 0.01 0.09 0.09 -0.04 1.21 1.36 2x9yA1 ILE 535 HG23 -0.02 -0.00 -0.06 -0.04 0.93 0.81 2x9yA1 ILE 535 HD13 0.02 -0.02 -0.04 -0.04 0.88 0.80 2x9yA1 ALA 536 H -0.05 0.40 -0.35 -0.55 8.40 7.86 2x9yA1 ALA 536 HA -0.04 0.05 0.42 -0.75 4.34 4.01 2x9yA1 ALA 536 HB3 -0.03 -0.00 0.09 -0.04 1.41 1.42 2x9yA1 ALA 537 H -0.06 0.34 -0.23 -0.55 8.40 7.91 2x9yA1 ALA 537 HA -0.05 -0.00 0.66 -0.75 4.34 4.20 2x9yA1 ALA 537 HB3 -0.04 0.00 0.07 -0.04 1.41 1.40 2x9yA1 ASN 538 H -0.07 0.42 -0.28 -0.55 8.53 8.06 2x9yA1 ASN 538 HA -0.18 -0.02 0.57 -0.75 4.76 4.38 2x9yA1 ASN 538 HB2 -0.05 0.11 0.24 -0.04 2.88 3.13 2x9yA1 ASN 538 HB3 -0.29 -0.06 0.14 -0.04 2.79 2.55 2x9yA1 ASN 538 HD21 0.19 -0.09 -0.05 -0.04 7.03 7.04 2x9yA1 ASN 538 HD22 0.28 -0.01 -0.01 -0.04 7.74 7.96 2x9yA1 ASN 539 H -0.16 0.50 -0.01 -0.55 8.53 8.32 2x9yA1 ASN 539 HA -0.16 0.07 0.43 -0.75 4.76 4.34 2x9yA1 ASN 539 HB2 -0.10 0.05 0.06 -0.04 2.88 2.85 2x9yA1 ASN 539 HB3 -0.09 -0.08 0.12 -0.04 2.79 2.70 2x9yA1 ASN 539 HD21 -0.05 -0.10 0.19 -0.04 7.03 7.02 2x9yA1 ASN 539 HD22 -0.06 0.25 0.25 -0.04 7.74 8.14 2x9yA1 ALA 540 H -0.32 0.18 -0.04 -0.55 8.40 7.67 2x9yA1 ALA 540 HA -0.29 0.38 0.37 -0.75 4.34 4.05 2x9yA1 ALA 540 HB3 -0.10 0.01 0.01 -0.04 1.41 1.29 2x9yA1 PHE 541 H -0.04 0.27 0.17 -0.55 8.34 8.19 2x9yA1 PHE 541 HA -0.11 0.33 1.18 -0.75 4.62 5.26 2x9yA1 PHE 541 HB2 -0.07 -0.03 0.07 -0.04 3.15 3.07 2x9yA1 PHE 541 HB3 -0.27 -0.01 0.01 -0.04 3.06 2.74 2x9yA1 PHE 541 HD2 -0.08 0.07 -0.12 -0.04 7.28 7.11 2x9yA1 PHE 541 HE2 -0.05 0.04 -0.08 -0.04 7.38 7.25 2x9yA1 PHE 541 HZ -0.04 0.05 -0.01 -0.04 7.32 7.28 2x9yA1 GLU 542 H -0.01 0.77 0.32 -0.55 8.60 9.14 2x9yA1 GLU 542 HA 0.04 0.13 0.43 -0.75 4.29 4.14 2x9yA1 GLU 542 HB2 0.09 -0.04 0.09 -0.04 2.09 2.19 2x9yA1 GLU 542 HB3 0.05 0.06 -0.03 -0.04 1.99 2.03 2x9yA1 GLU 542 HG2 0.02 0.04 -0.36 -0.04 2.34 2.00 2x9yA1 GLU 542 HG3 0.03 -0.01 -0.36 -0.04 2.34 1.95 2x9yA1 TRP 543 H 0.27 0.18 0.11 -0.55 7.97 7.98 2x9yA1 TRP 543 HA 0.08 0.40 0.95 -0.75 4.62 5.29 2x9yA1 TRP 543 HB2 0.02 -0.02 0.08 -0.04 3.23 3.27 2x9yA1 TRP 543 HB3 0.02 -0.04 -0.13 -0.04 3.23 3.04 2x9yA1 TRP 543 HD1 0.04 -0.01 -0.10 -0.04 7.22 7.11 2x9yA1 TRP 543 HE1 0.05 0.02 -0.13 -0.04 10.20 10.11 2x9yA1 TRP 543 HE3 0.01 -0.03 -0.71 -0.04 7.59 6.81 2x9yA1 TRP 543 HZ2 0.20 0.01 -0.14 -0.04 7.44 7.47 2x9yA1 TRP 543 HZ3 0.06 0.03 -0.36 -0.04 7.13 6.82 2x9yA1 TRP 543 HH2 0.29 0.04 -0.27 -0.04 7.19 7.21 2x9yA1 VAL 544 H 0.23 0.68 0.28 -0.55 8.24 8.89 2x9yA1 VAL 544 HA 0.15 0.19 0.93 -0.75 4.13 4.65 2x9yA1 VAL 544 HB 0.10 -0.11 0.07 -0.04 2.12 2.14 2x9yA1 VAL 544 HG13 0.07 0.03 -0.27 -0.04 0.97 0.76 2x9yA1 VAL 544 HG23 0.13 0.04 -0.24 -0.04 0.95 0.84 2x9yA1 ALA 545 H 0.12 0.12 0.16 -0.55 8.40 8.25 2x9yA1 ALA 545 HA 0.19 0.21 0.57 -0.75 4.34 4.56 2x9yA1 ALA 545 HB3 0.09 0.01 0.06 -0.04 1.41 1.53 2x9yA1 ASP 546 H 0.11 0.03 -0.01 -0.55 8.40 7.97 2x9yA1 ASP 546 HA 0.06 0.17 0.63 -0.75 4.63 4.73 2x9yA1 ASP 546 HB2 0.04 0.04 0.07 -0.04 2.71 2.82 2x9yA1 ASP 546 HB3 0.03 -0.03 0.17 -0.04 2.70 2.84 2x9yA1 LYS 547 H -0.14 0.27 0.17 -0.55 8.42 8.17 2x9yA1 LYS 547 HA -0.28 0.11 0.23 -0.75 4.32 3.63 2x9yA1 LYS 547 HB2 -0.75 0.05 0.06 -0.04 1.87 1.19 2x9yA1 LYS 547 HB3 -2.02 0.07 0.02 -0.04 1.79 -0.19 2x9yA1 LYS 547 HG2 -0.24 -0.07 0.05 -0.04 1.46 1.16 2x9yA1 LYS 547 HG3 -0.24 0.02 -0.22 -0.04 1.46 0.99 2x9yA1 LYS 547 HD2 -0.29 0.03 -0.08 -0.04 1.69 1.31 2x9yA1 LYS 547 HD3 -0.33 0.03 -0.04 -0.04 1.68 1.30 2x9yA1 LYS 547 HE2 -0.05 -0.04 -0.02 -0.04 2.99 2.84 2x9yA1 LYS 547 HE3 -0.08 0.01 -0.06 -0.04 2.99 2.81 2x9yA1 ASP 548 H -0.07 -0.04 -0.48 -0.55 8.40 7.26 2x9yA1 ASP 548 HA -0.06 0.27 0.72 -0.75 4.63 4.80 2x9yA1 ASP 548 HB2 -0.03 -0.06 -0.04 -0.04 2.71 2.53 2x9yA1 ASP 548 HB3 -0.03 0.03 0.07 -0.04 2.70 2.73 2x9yA1 ASN 549 H -0.03 0.33 -0.27 -0.55 8.53 8.03 2x9yA1 ASN 549 HA 0.00 -0.00 0.49 -0.75 4.76 4.49 2x9yA1 ASN 549 HB2 0.02 0.05 0.16 -0.04 2.88 3.06 2x9yA1 ASN 549 HB3 0.02 0.03 0.06 -0.04 2.79 2.85 2x9yA1 ASN 549 HD21 0.03 0.02 0.00 -0.04 7.03 7.03 2x9yA1 ASN 549 HD22 0.04 -0.02 0.01 -0.04 7.74 7.73 2x9yA1 GLU 550 H 0.01 0.08 0.17 -0.55 8.60 8.32 2x9yA1 GLU 550 HA 0.01 0.18 0.32 -0.75 4.29 4.04 2x9yA1 GLU 550 HB2 0.01 0.04 0.03 -0.04 2.09 2.14 2x9yA1 GLU 550 HB3 0.01 0.03 0.12 -0.04 1.99 2.10 2x9yA1 GLU 550 HG2 0.01 -0.05 0.14 -0.04 2.34 2.39 2x9yA1 GLU 550 HG3 0.01 -0.04 0.03 -0.04 2.34 2.29 2x9yA1 ASN 551 H 0.01 -0.07 -0.33 -0.55 8.53 7.60 2x9yA1 ASN 551 HA 0.02 0.18 0.53 -0.75 4.76 4.73 2x9yA1 ASN 551 HB2 0.02 -0.09 -0.01 -0.04 2.88 2.76 2x9yA1 ASN 551 HB3 0.02 0.20 0.10 -0.04 2.79 3.07 2x9yA1 ASN 551 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.97 2x9yA1 ASN 551 HD22 0.01 -0.03 -0.00 -0.04 7.74 7.68 2x9yA1 VAL 552 H 0.02 0.19 -0.38 -0.55 8.24 7.52 2x9yA1 VAL 552 HA 0.02 0.00 0.50 -0.75 4.13 3.90 2x9yA1 VAL 552 HB -0.01 0.22 -0.03 -0.04 2.12 2.26 2x9yA1 VAL 552 HG13 0.00 0.03 -0.17 -0.04 0.97 0.79 2x9yA1 VAL 552 HG23 0.02 -0.09 -0.09 -0.04 0.95 0.75 2x9yA1 VAL 553 H 0.01 0.58 0.40 -0.55 8.24 8.68 2x9yA1 VAL 553 HA 0.06 0.07 0.53 -0.75 4.13 4.04 2x9yA1 VAL 553 HB -0.02 -0.06 0.15 -0.04 2.12 2.16 2x9yA1 VAL 553 HG13 0.06 -0.01 -0.17 -0.04 0.97 0.81 2x9yA1 VAL 553 HG23 0.10 -0.00 -0.10 -0.04 0.95 0.91 2x9yA1 LYS 554 H 0.11 0.19 0.19 -0.55 8.42 8.35 2x9yA1 LYS 554 HA 0.07 0.35 1.11 -0.75 4.32 5.10 2x9yA1 LYS 554 HB2 0.05 0.07 -0.10 -0.04 1.87 1.84 2x9yA1 LYS 554 HB3 0.14 -0.04 0.12 -0.04 1.79 1.96 2x9yA1 LYS 554 HG2 0.00 -0.07 -0.24 -0.04 1.46 1.11 2x9yA1 LYS 554 HG3 0.00 0.09 -0.05 -0.04 1.46 1.46 2x9yA1 LYS 554 HD2 -0.02 -0.01 -0.08 -0.04 1.69 1.53 2x9yA1 LYS 554 HD3 -0.07 -0.07 -0.12 -0.04 1.68 1.39 2x9yA1 LYS 554 HE2 -0.04 -0.02 -0.19 -0.04 2.99 2.69 2x9yA1 LYS 554 HE3 -0.01 0.08 -0.14 -0.04 2.99 2.88 2x9yA1 LEU 555 H 0.09 0.58 0.26 -0.55 8.37 8.76 2x9yA1 LEU 555 HA 0.21 0.11 0.77 -0.75 4.35 4.68 2x9yA1 LEU 555 HB2 -0.01 -0.06 -0.02 -0.04 1.64 1.51 2x9yA1 LEU 555 HB3 0.25 -0.04 -0.05 -0.04 1.64 1.77 2x9yA1 LEU 555 HG 0.12 0.08 -0.14 -0.04 1.64 1.66 2x9yA1 LEU 555 HD13 0.18 -0.02 -0.28 -0.04 0.93 0.77 2x9yA1 LEU 555 HD23 0.14 0.04 -0.23 -0.04 0.89 0.80 2x9yA1 VAL 556 H 0.19 0.19 0.19 -0.55 8.24 8.26 2x9yA1 VAL 556 HA -0.07 0.42 1.09 -0.75 4.13 4.82 2x9yA1 VAL 556 HB -0.09 -0.06 0.07 -0.04 2.12 1.99 2x9yA1 VAL 556 HG13 -0.11 0.03 -0.20 -0.04 0.97 0.65 2x9yA1 VAL 556 HG23 -0.19 0.02 -0.25 -0.04 0.95 0.49 2x9yA1 SER 557 H -0.02 0.48 0.18 -0.55 8.46 8.56 2x9yA1 SER 557 HA 0.27 0.32 0.34 -0.75 4.49 4.66 2x9yA1 SER 557 HB2 0.23 0.01 -0.07 -0.04 3.95 4.08 2x9yA1 SER 557 HB3 0.26 0.01 -0.04 -0.04 3.93 4.12 2x9yA1 ASP 558 H 0.07 0.36 0.21 -0.55 8.40 8.50 2x9yA1 ASP 558 HA -0.04 0.22 0.73 -0.75 4.63 4.78 2x9yA1 ASP 558 HB2 -0.06 -0.17 0.13 -0.04 2.71 2.58 2x9yA1 ASP 558 HB3 0.01 0.15 0.11 -0.04 2.70 2.92 2x9yA1 ALA 559 H -0.14 0.16 0.09 -0.55 8.40 7.96 2x9yA1 ALA 559 HA -0.19 0.14 0.31 -0.75 4.34 3.85 2x9yA1 ALA 559 HB3 -0.34 0.04 0.17 -0.04 1.41 1.23 2x9yA1 GLN 560 H -0.07 -0.03 -0.45 -0.55 8.47 7.37 2x9yA1 GLN 560 HA -0.04 0.25 0.84 -0.75 4.36 4.65 2x9yA1 GLN 560 HB2 -0.12 -0.07 0.06 -0.04 2.15 1.99 2x9yA1 GLN 560 HB3 -0.12 0.09 0.20 -0.04 2.02 2.15 2x9yA1 GLN 560 HG2 -0.05 0.08 -0.01 -0.04 2.40 2.38 2x9yA1 GLN 560 HG3 -0.06 -0.07 -0.09 -0.04 2.39 2.13 2x9yA1 GLN 560 HE21 -0.07 -0.08 0.09 -0.04 6.97 6.87 2x9yA1 GLN 560 HE22 -0.08 0.06 0.12 -0.04 7.69 7.74 2x9yA1 GLY 561 H -0.02 0.54 -0.40 -0.55 8.43 8.00 2x9yA1 GLY 561 HA2 0.07 0.36 0.33 -0.51 4.01 4.25 2x9yA1 GLY 561 HA3 0.02 0.15 0.45 -0.51 4.01 4.11 2x9yA1 ARG 562 H -0.06 -0.14 -0.36 -0.55 8.46 7.34 2x9yA1 ARG 562 HA -0.13 0.39 0.70 -0.75 4.34 4.54 2x9yA1 ARG 562 HB2 -0.24 -0.10 -0.01 -0.04 1.90 1.51 2x9yA1 ARG 562 HB3 -1.06 0.07 0.07 -0.04 1.80 0.83 2x9yA1 ARG 562 HG2 -0.40 0.32 -0.00 -0.04 1.67 1.55 2x9yA1 ARG 562 HG3 -0.23 -0.30 -0.07 -0.04 1.67 1.03 2x9yA1 ARG 562 HD2 -0.76 -0.05 -0.07 -0.04 3.22 2.31 2x9yA1 ARG 562 HD3 -0.71 0.27 -0.10 -0.04 3.22 2.64 2x9yA1 PHE 563 H -0.14 0.65 0.37 -0.55 8.34 8.68 2x9yA1 PHE 563 HA 0.15 0.07 0.32 -0.75 4.62 4.41 2x9yA1 PHE 563 HB2 0.12 -0.05 -0.06 -0.04 3.15 3.11 2x9yA1 PHE 563 HB3 0.10 0.14 -0.30 -0.04 3.06 2.96 2x9yA1 PHE 563 HD2 0.01 0.01 -0.41 -0.04 7.28 6.85 2x9yA1 PHE 563 HE2 -0.59 -0.00 -0.23 -0.04 7.38 6.52 2x9yA1 PHE 563 HZ -1.11 0.00 -0.21 -0.04 7.32 5.96 2x9yA1 GLU 564 H 0.29 0.27 0.19 -0.55 8.60 8.81 2x9yA1 GLU 564 HA 0.09 0.21 0.94 -0.75 4.29 4.77 2x9yA1 GLU 564 HB2 -0.01 0.13 0.06 -0.04 2.09 2.23 2x9yA1 GLU 564 HB3 -0.09 -0.04 -0.18 -0.04 1.99 1.64 2x9yA1 GLU 564 HG2 0.18 -0.08 -0.05 -0.04 2.34 2.35 2x9yA1 GLU 564 HG3 0.13 0.01 -0.28 -0.04 2.34 2.17 2x9yA1 ILE 565 H 0.07 0.61 0.34 -0.55 8.25 8.71 2x9yA1 ILE 565 HA 0.10 0.19 0.89 -0.75 4.18 4.61 2x9yA1 ILE 565 HB 0.12 0.01 -0.13 -0.04 1.89 1.84 2x9yA1 ILE 565 HG12 -0.06 -0.03 -0.14 -0.04 1.49 1.22 2x9yA1 ILE 565 HG13 -0.01 0.06 -0.19 -0.04 1.21 1.04 2x9yA1 ILE 565 HG23 0.09 -0.00 -0.05 -0.04 0.93 0.92 2x9yA1 ILE 565 HD13 0.01 0.01 -0.01 -0.04 0.88 0.85 2x9yA1 THR 566 H 0.08 0.30 0.16 -0.55 8.28 8.28 2x9yA1 THR 566 HA -0.01 0.12 1.03 -0.75 4.39 4.77 2x9yA1 THR 566 HB -0.09 -0.01 0.03 -0.04 4.32 4.21 2x9yA1 THR 566 HG23 -0.03 -0.01 -0.26 -0.04 1.22 0.88 2x9yA1 GLY 567 H 0.00 0.37 0.20 -0.55 8.43 8.46 2x9yA1 GLY 567 HA2 0.03 -0.01 0.31 -0.51 4.01 3.83 2x9yA1 GLY 567 HA3 0.13 0.19 0.60 -0.51 4.01 4.41 2x9yA1 LEU 568 H 0.06 0.49 0.12 -0.55 8.37 8.49 2x9yA1 LEU 568 HA 0.13 0.19 0.77 -0.75 4.35 4.68 2x9yA1 LEU 568 HB2 0.03 -0.07 -0.29 -0.04 1.64 1.26 2x9yA1 LEU 568 HB3 0.01 0.13 -0.10 -0.04 1.64 1.64 2x9yA1 LEU 568 HG -0.04 -0.06 -0.46 -0.04 1.64 1.04 2x9yA1 LEU 568 HD13 -0.41 -0.01 -0.23 -0.04 0.93 0.24 2x9yA1 LEU 568 HD23 -0.25 0.04 -0.29 -0.04 0.89 0.34 2x9yA1 LEU 569 H 0.20 0.14 0.06 -0.55 8.37 8.22 2x9yA1 LEU 569 HA 0.01 0.08 0.59 -0.75 4.35 4.27 2x9yA1 LEU 569 HB2 0.19 -0.01 0.03 -0.04 1.64 1.81 2x9yA1 LEU 569 HB3 0.08 0.12 -0.01 -0.04 1.64 1.79 2x9yA1 LEU 569 HG 0.09 -0.07 -0.07 -0.04 1.64 1.55 2x9yA1 LEU 569 HD13 0.08 0.01 0.00 -0.04 0.93 0.98 2x9yA1 LEU 569 HD23 -0.07 0.00 -0.15 -0.04 0.89 0.63 2x9yA1 ALA 570 H 0.17 0.07 0.02 -0.55 8.40 8.12 2x9yA1 ALA 570 HA 0.30 0.06 0.28 -0.75 4.34 4.23 2x9yA1 ALA 570 HB3 0.25 -0.01 0.07 -0.04 1.41 1.68 2x9yA1 GLY 571 H 0.16 0.46 0.38 -0.55 8.43 8.88 2x9yA1 GLY 571 HA2 -0.02 -0.01 0.30 -0.51 4.01 3.76 2x9yA1 GLY 571 HA3 -0.07 0.19 0.65 -0.51 4.01 4.27 2x9yA1 THR 572 H -0.24 0.17 0.15 -0.55 8.28 7.81 2x9yA1 THR 572 HA -0.21 0.20 0.89 -0.75 4.39 4.52 2x9yA1 THR 572 HB -0.19 -0.00 0.13 -0.04 4.32 4.22 2x9yA1 THR 572 HG23 -0.36 0.01 -0.14 -0.04 1.22 0.69 2x9yA1 TYR 573 H -0.47 0.76 0.40 -0.55 8.29 8.43 2x9yA1 TYR 573 HA -0.19 0.24 0.91 -0.75 4.56 4.77 2x9yA1 TYR 573 HB2 -1.87 -0.03 -0.07 -0.04 3.06 1.06 2x9yA1 TYR 573 HB3 -0.23 -0.01 0.03 -0.04 2.98 2.73 2x9yA1 TYR 573 HD2 0.04 0.05 -0.19 -0.04 7.15 7.02 2x9yA1 TYR 573 HE2 0.26 0.01 -0.21 -0.04 6.85 6.87 2x9yA1 TYR 574 H 0.26 0.49 0.18 -0.55 8.29 8.68 2x9yA1 TYR 574 HA 0.14 0.23 0.86 -0.75 4.56 5.04 2x9yA1 TYR 574 HB2 0.06 -0.02 -0.12 -0.04 3.06 2.93 2x9yA1 TYR 574 HB3 0.08 0.04 -0.27 -0.04 2.98 2.79 2x9yA1 TYR 574 HD2 -0.03 0.04 -0.46 -0.04 7.15 6.66 2x9yA1 TYR 574 HE2 -0.07 0.07 -0.24 -0.04 6.85 6.56 2x9yA1 LEU 575 H 0.39 0.70 0.23 -0.55 8.37 9.14 2x9yA1 LEU 575 HA 0.27 0.15 0.71 -0.75 4.35 4.72 2x9yA1 LEU 575 HB2 0.06 0.08 0.19 -0.04 1.64 1.93 2x9yA1 LEU 575 HB3 0.04 -0.03 -0.10 -0.04 1.64 1.52 2x9yA1 LEU 575 HG -0.80 0.01 -0.09 -0.04 1.64 0.72 2x9yA1 LEU 575 HD13 -0.89 -0.00 -0.15 -0.04 0.93 -0.16 2x9yA1 LEU 575 HD23 -0.15 -0.01 -0.16 -0.04 0.89 0.53 2x9yA1 GLU 576 H 0.26 0.69 0.34 -0.55 8.60 9.35 2x9yA1 GLU 576 HA 0.19 0.14 0.87 -0.75 4.29 4.74 2x9yA1 GLU 576 HB2 0.23 0.02 -0.11 -0.04 2.09 2.18 2x9yA1 GLU 576 HB3 0.26 -0.03 0.04 -0.04 1.99 2.23 2x9yA1 GLU 576 HG2 0.09 0.08 -0.46 -0.04 2.34 2.02 2x9yA1 GLU 576 HG3 0.12 0.03 -0.08 -0.04 2.34 2.37 2x9yA1 GLU 577 H 0.14 0.18 0.04 -0.55 8.60 8.41 2x9yA1 GLU 577 HA -0.52 0.16 0.67 -0.75 4.29 3.84 2x9yA1 GLU 577 HB2 -0.01 -0.01 0.07 -0.04 2.09 2.10 2x9yA1 GLU 577 HB3 -0.07 0.01 0.08 -0.04 1.99 1.96 2x9yA1 GLU 577 HG2 -0.33 -0.05 -0.35 -0.04 2.34 1.56 2x9yA1 GLU 577 HG3 -1.02 0.08 -0.04 -0.04 2.34 1.32 2x9yA1 THR 578 H -0.32 0.72 0.43 -0.55 8.28 8.57 2x9yA1 THR 578 HA -0.09 0.17 0.85 -0.75 4.39 4.57 2x9yA1 THR 578 HB -0.10 -0.04 -0.02 -0.04 4.32 4.13 2x9yA1 THR 578 HG23 -0.07 0.03 -0.16 -0.04 1.22 0.98 2x9yA1 LYS 579 H -0.29 0.32 0.27 -0.55 8.42 8.15 2x9yA1 LYS 579 HA -0.11 0.12 0.76 -0.75 4.32 4.34 2x9yA1 LYS 579 HB2 -0.11 0.02 -0.09 -0.04 1.87 1.65 2x9yA1 LYS 579 HB3 -0.16 -0.06 0.14 -0.04 1.79 1.67 2x9yA1 LYS 579 HG2 -0.09 0.24 -0.14 -0.04 1.46 1.43 2x9yA1 LYS 579 HG3 -0.07 -0.04 0.07 -0.04 1.46 1.38 2x9yA1 LYS 579 HD2 -0.07 -0.04 -0.02 -0.04 1.69 1.51 2x9yA1 LYS 579 HD3 -0.09 0.05 -0.02 -0.04 1.68 1.58 2x9yA1 LYS 579 HE2 -0.04 0.06 -0.02 -0.04 2.99 2.95 2x9yA1 LYS 579 HE3 -0.04 -0.04 -0.01 -0.04 2.99 2.86 2x9yA1 GLN 580 H -0.08 0.12 0.04 -0.55 8.47 8.01 2x9yA1 GLN 580 HA -0.13 0.07 0.49 -0.75 4.36 4.04 2x9yA1 GLN 580 HB2 0.04 0.09 -0.22 -0.04 2.15 2.01 2x9yA1 GLN 580 HB3 -0.02 -0.14 -0.16 -0.04 2.02 1.66 2x9yA1 GLN 580 HG2 0.02 -0.01 -0.37 -0.04 2.40 2.00 2x9yA1 GLN 580 HG3 0.04 0.51 -0.07 -0.04 2.39 2.84 2x9yA1 GLN 580 HE21 -0.01 -0.02 0.01 -0.04 6.97 6.91 2x9yA1 GLN 580 HE22 0.00 0.01 -0.02 -0.04 7.69 7.64 2x9yA1 PRO 581 HA 0.00 0.15 0.39 -0.51 4.44 4.48 2x9yA1 PRO 581 HB2 -0.10 0.05 -0.22 -0.04 2.28 1.97 2x9yA1 PRO 581 HB3 -0.04 0.13 -0.13 -0.04 2.02 1.93 2x9yA1 PRO 581 HG2 -0.26 0.02 -0.11 -0.04 2.03 1.64 2x9yA1 PRO 581 HG3 -0.08 -0.00 -0.12 -0.04 2.03 1.79 2x9yA1 PRO 581 HD2 -0.01 0.07 0.04 -0.04 3.68 3.74 2x9yA1 PRO 581 HD3 -0.09 0.09 0.13 -0.04 3.65 3.74 2x9yA1 ALA 582 H 0.07 0.16 0.08 -0.55 8.40 8.16 2x9yA1 ALA 582 HA 0.06 -0.02 0.30 -0.75 4.34 3.93 2x9yA1 ALA 582 HB3 0.06 0.02 0.08 -0.04 1.41 1.52 2x9yA1 GLY 583 H 0.04 0.10 0.17 -0.55 8.43 8.19 2x9yA1 GLY 583 HA2 -0.07 -0.02 0.30 -0.51 4.01 3.71 2x9yA1 GLY 583 HA3 -0.10 0.08 0.45 -0.51 4.01 3.93 2x9yA1 TYR 584 H 0.15 0.29 -0.04 -0.55 8.29 8.14 2x9yA1 TYR 584 HA 0.01 0.15 0.97 -0.75 4.56 4.93 2x9yA1 TYR 584 HB2 0.01 0.16 -0.11 -0.04 3.06 3.08 2x9yA1 TYR 584 HB3 0.01 -0.04 -0.04 -0.04 2.98 2.88 2x9yA1 TYR 584 HD2 0.02 0.06 -0.67 -0.04 7.15 6.52 2x9yA1 TYR 584 HE2 0.03 -0.05 -0.17 -0.04 6.85 6.62 2x9yA1 ALA 585 H 0.11 0.64 0.34 -0.55 8.40 8.94 2x9yA1 ALA 585 HA 0.03 0.07 0.66 -0.75 4.34 4.35 2x9yA1 ALA 585 HB3 0.04 -0.01 0.07 -0.04 1.41 1.47 2x9yA1 LEU 586 H 0.02 0.12 0.13 -0.55 8.37 8.08 2x9yA1 LEU 586 HA -0.00 0.01 0.48 -0.75 4.35 4.08 2x9yA1 LEU 586 HB2 -0.01 -0.02 0.07 -0.04 1.64 1.63 2x9yA1 LEU 586 HB3 0.00 -0.02 0.07 -0.04 1.64 1.64 2x9yA1 LEU 586 HG -0.01 0.20 -0.24 -0.04 1.64 1.54 2x9yA1 LEU 586 HD13 -0.08 -0.02 -0.36 -0.04 0.93 0.44 2x9yA1 LEU 586 HD23 -0.02 0.00 -0.07 -0.04 0.89 0.77 2x9yA1 LEU 587 H 0.01 0.09 0.12 -0.55 8.37 8.05 2x9yA1 LEU 587 HA 0.05 -0.03 0.38 -0.75 4.35 4.00 2x9yA1 LEU 587 HB2 0.07 -0.04 0.15 -0.04 1.64 1.78 2x9yA1 LEU 587 HB3 0.09 0.06 0.08 -0.04 1.64 1.83 2x9yA1 LEU 587 HG 0.07 -0.02 0.11 -0.04 1.64 1.76 2x9yA1 LEU 587 HD13 0.19 0.00 -0.02 -0.04 0.93 1.06 2x9yA1 LEU 587 HD23 0.08 0.07 0.12 -0.04 0.89 1.12 2x9yA1 THR 588 H 0.05 0.07 0.21 -0.55 8.28 8.05 2x9yA1 THR 588 HA 0.03 0.17 0.52 -0.75 4.39 4.36 2x9yA1 SER 589 H 0.06 0.04 -0.11 -0.55 8.46 7.91 2x9yA1 SER 589 HA 0.05 0.20 0.98 -0.75 4.49 4.97 2x9yA1 SER 589 HB2 0.07 -0.08 0.02 -0.04 3.95 3.92 2x9yA1 SER 589 HB3 0.07 0.17 0.03 -0.04 3.93 4.16 2x9yA1 ARG 590 H 0.08 0.16 0.17 -0.55 8.46 8.32 2x9yA1 ARG 590 HA 0.16 0.23 0.81 -0.75 4.34 4.79 2x9yA1 ARG 590 HB2 0.11 0.00 0.11 -0.04 1.90 2.08 2x9yA1 ARG 590 HB3 0.24 -0.03 -0.14 -0.04 1.80 1.83 2x9yA1 ARG 590 HG2 0.14 -0.02 -0.05 -0.04 1.67 1.70 2x9yA1 ARG 590 HG3 0.07 -0.05 0.04 -0.04 1.67 1.69 2x9yA1 ARG 590 HD2 -0.07 0.21 -0.29 -0.04 3.22 3.04 2x9yA1 ARG 590 HD3 0.09 -0.04 -0.19 -0.04 3.22 3.04 2x9yA1 GLN 591 H 0.20 0.52 0.25 -0.55 8.47 8.90 2x9yA1 GLN 591 HA 0.16 0.12 0.91 -0.75 4.36 4.79 2x9yA1 GLN 591 HB2 0.12 0.02 0.02 -0.04 2.15 2.27 2x9yA1 GLN 591 HB3 0.11 -0.07 0.15 -0.04 2.02 2.17 2x9yA1 GLN 591 HG2 0.15 0.07 -0.20 -0.04 2.40 2.38 2x9yA1 GLN 591 HG3 0.11 -0.01 0.04 -0.04 2.39 2.49 2x9yA1 GLN 591 HE21 0.08 0.48 0.21 -0.04 6.97 7.71 2x9yA1 GLN 591 HE22 0.11 -0.02 0.01 -0.04 7.69 7.75 2x9yA1 LYS 592 H 0.14 0.14 0.14 -0.55 8.42 8.28 2x9yA1 LYS 592 HA -0.36 0.17 0.57 -0.75 4.32 3.95 2x9yA1 LYS 592 HB2 0.02 -0.03 0.05 -0.04 1.87 1.87 2x9yA1 LYS 592 HB3 -0.01 -0.03 0.11 -0.04 1.79 1.83 2x9yA1 LYS 592 HG2 -0.22 -0.01 -0.28 -0.04 1.46 0.91 2x9yA1 LYS 592 HG3 -0.86 0.07 -0.06 -0.04 1.46 0.58 2x9yA1 LYS 592 HD2 -0.13 -0.02 -0.09 -0.04 1.69 1.41 2x9yA1 LYS 592 HD3 0.02 -0.03 -0.05 -0.04 1.68 1.58 2x9yA1 LYS 592 HE2 0.02 0.00 -0.02 -0.04 2.99 2.94 2x9yA1 LYS 592 HE3 -0.04 -0.01 -0.10 -0.04 2.99 2.81 2x9yA1 PHE 593 H -0.34 0.89 0.43 -0.55 8.34 8.76 2x9yA1 PHE 593 HA 0.02 0.16 0.70 -0.75 4.62 4.75 2x9yA1 PHE 593 HB2 0.14 -0.00 0.04 -0.04 3.15 3.30 2x9yA1 PHE 593 HB3 0.25 0.07 -0.14 -0.04 3.06 3.19 2x9yA1 PHE 593 HD2 0.11 0.07 -0.29 -0.04 7.28 7.13 2x9yA1 PHE 593 HE2 0.03 -0.02 -0.33 -0.04 7.38 7.03 2x9yA1 PHE 593 HZ 0.04 -0.00 -0.20 -0.04 7.32 7.12 2x9yA1 GLU 594 H 0.17 0.22 0.14 -0.55 8.60 8.58 2x9yA1 GLU 594 HA 0.00 0.25 0.90 -0.75 4.29 4.68 2x9yA1 GLU 594 HB2 0.02 -0.01 0.04 -0.04 2.09 2.10 2x9yA1 GLU 594 HB3 0.03 -0.03 0.02 -0.04 1.99 1.96 2x9yA1 GLU 594 HG2 -0.01 -0.02 -0.08 -0.04 2.34 2.19 2x9yA1 GLU 594 HG3 0.00 0.04 -0.10 -0.04 2.34 2.25 2x9yA1 VAL 595 H 0.16 0.75 0.34 -0.55 8.24 8.95 2x9yA1 VAL 595 HA 0.12 0.16 0.92 -0.75 4.13 4.58 2x9yA1 VAL 595 HB 0.30 0.07 0.09 -0.04 2.12 2.55 2x9yA1 VAL 595 HG13 0.20 -0.01 -0.33 -0.04 0.97 0.78 2x9yA1 VAL 595 HG23 0.13 0.01 -0.27 -0.04 0.95 0.78 2x9yA1 THR 596 H -0.03 0.16 0.21 -0.55 8.28 8.07 2x9yA1 THR 596 HA -0.07 0.25 0.91 -0.75 4.39 4.72 2x9yA1 THR 596 HB -0.11 -0.04 0.18 -0.04 4.32 4.31 2x9yA1 THR 596 HG23 -0.02 0.07 -0.30 -0.04 1.22 0.93 2x9yA1 ALA 597 H -0.30 0.21 0.17 -0.55 8.40 7.93 2x9yA1 ALA 597 HA -1.68 0.15 0.45 -0.75 4.34 2.50 2x9yA1 ALA 597 HB3 -0.19 0.04 0.10 -0.04 1.41 1.32 2x9yA1 THR 598 H -0.19 -0.00 -0.14 -0.55 8.28 7.40 2x9yA1 THR 598 HA -0.08 0.32 0.98 -0.75 4.39 4.85 2x9yA1 THR 598 HB -0.05 -0.02 0.15 -0.04 4.32 4.36 2x9yA1 THR 598 HG23 -0.06 0.03 -0.14 -0.04 1.22 1.01 2x9yA1 SER 599 H -0.13 0.07 -0.19 -0.55 8.46 7.66 2x9yA1 SER 599 HA -0.07 0.11 0.31 -0.75 4.49 4.09 2x9yA1 SER 599 HB2 -0.03 0.21 0.27 -0.04 3.95 4.36 2x9yA1 SER 599 HB3 -0.04 -0.19 0.23 -0.04 3.93 3.89 2x9yA1 TYR 600 H 0.04 -0.01 -0.53 -0.55 8.29 7.24 2x9yA1 TYR 600 HA -0.19 0.09 0.51 -0.75 4.56 4.22 2x9yA1 TYR 600 HB2 -0.07 -0.06 -0.13 -0.04 3.06 2.76 2x9yA1 TYR 600 HB3 -0.07 0.03 -0.11 -0.04 2.98 2.80 2x9yA1 TYR 600 HD2 -0.11 -0.03 -0.31 -0.04 7.15 6.66 2x9yA1 TYR 600 HE2 -0.11 0.01 -0.12 -0.04 6.85 6.58 2x9yA1 SER 601 H -0.02 0.23 -0.12 -0.55 8.46 8.01 2x9yA1 SER 601 HA -0.12 0.22 0.92 -0.75 4.49 4.74 2x9yA1 SER 601 HB2 -0.00 -0.02 0.02 -0.04 3.95 3.91 2x9yA1 SER 601 HB3 0.08 0.01 -0.14 -0.04 3.93 3.84 2x9yA1 ALA 602 H -0.07 0.49 0.14 -0.55 8.40 8.42 2x9yA1 ALA 602 HA -0.04 -0.03 0.35 -0.75 4.34 3.85 2x9yA1 ALA 602 HB3 -0.05 -0.01 0.03 -0.04 1.41 1.34 2x9yA1 THR 603 H -0.04 0.05 0.14 -0.55 8.28 7.89 2x9yA1 THR 603 HA -0.05 0.18 0.41 -0.75 4.39 4.17 2x9yA1 THR 603 HB -0.03 -0.20 0.15 -0.04 4.32 4.21 2x9yA1 THR 603 HG23 -0.03 0.01 -0.00 -0.04 1.22 1.16 2x9yA1 GLY 604 H -0.03 0.01 0.22 -0.55 8.43 8.08 2x9yA1 GLY 604 HA2 -0.02 -0.04 0.34 -0.51 4.01 3.77 2x9yA1 GLY 604 HA3 -0.03 0.16 0.59 -0.51 4.01 4.23 2x9yA1 GLN 605 H -0.05 0.54 0.01 -0.55 8.47 8.42 2x9yA1 GLN 605 HA -0.04 0.13 0.43 -0.75 4.36 4.12 2x9yA1 GLN 605 HB2 -0.10 -0.01 -0.25 -0.04 2.15 1.75 2x9yA1 GLN 605 HB3 -0.09 -0.05 -0.15 -0.04 2.02 1.69 2x9yA1 GLN 605 HG2 -0.07 -0.07 -0.25 -0.04 2.40 1.98 2x9yA1 GLN 605 HG3 -0.08 0.21 -0.19 -0.04 2.39 2.29 2x9yA1 GLN 605 HE21 -0.17 0.43 -0.03 -0.04 6.97 7.16 2x9yA1 GLN 605 HE22 -0.12 0.47 -0.05 -0.04 7.69 7.95 2x9yA1 GLY 606 H -0.03 -0.07 -0.15 -0.55 8.43 7.63 2x9yA1 GLY 606 HA2 -0.01 0.00 0.23 -0.51 4.01 3.72 2x9yA1 GLY 606 HA3 -0.02 0.22 0.96 -0.51 4.01 4.66 2x9yA1 ILE 607 H -0.04 0.30 -0.04 -0.55 8.25 7.92 2x9yA1 ILE 607 HA -0.02 0.03 0.42 -0.75 4.18 3.86 2x9yA1 ILE 607 HB -0.01 0.20 -0.19 -0.04 1.89 1.85 2x9yA1 ILE 607 HG12 -0.02 0.19 -0.30 -0.04 1.49 1.31 2x9yA1 ILE 607 HG13 -0.01 -0.10 0.04 -0.04 1.21 1.09 2x9yA1 ILE 607 HG23 -0.03 0.00 -0.53 -0.04 0.93 0.34 2x9yA1 ILE 607 HD13 -0.01 0.01 -0.14 -0.04 0.88 0.69 2x9yA1 GLU 608 H -0.02 0.16 0.01 -0.55 8.60 8.21 2x9yA1 GLU 608 HA -0.01 0.09 0.62 -0.75 4.29 4.23 2x9yA1 GLU 608 HB2 -0.02 0.02 -0.05 -0.04 2.09 2.00 2x9yA1 GLU 608 HB3 -0.01 0.12 -0.28 -0.04 1.99 1.77 2x9yA1 GLU 608 HG2 -0.01 0.06 -0.33 -0.04 2.34 2.02 2x9yA1 GLU 608 HG3 -0.01 -0.00 -0.18 -0.04 2.34 2.10 2x9yA1 TYR 609 H 0.06 0.10 0.14 -0.55 8.29 8.04 2x9yA1 TYR 609 HA -0.12 0.11 0.25 -0.75 4.56 4.05 2x9yA1 TYR 609 HB2 -0.18 0.06 -0.05 -0.04 3.06 2.85 2x9yA1 TYR 609 HB3 -0.12 -0.05 0.04 -0.04 2.98 2.81 2x9yA1 TYR 609 HD2 -0.15 0.00 -0.12 -0.04 7.15 6.84 2x9yA1 TYR 609 HE2 -0.12 0.05 0.02 -0.04 6.85 6.75 2x9yA1 THR 610 H 0.03 0.09 -0.18 -0.55 8.28 7.67 2x9yA1 THR 610 HA -0.13 0.21 0.81 -0.75 4.39 4.52 2x9yA1 THR 610 HB -0.01 -0.04 0.04 -0.04 4.32 4.27 2x9yA1 THR 610 HG23 -0.05 0.04 -0.07 -0.04 1.22 1.10 2x9yA1 ALA 611 H -0.05 0.21 0.03 -0.55 8.40 8.03 2x9yA1 ALA 611 HA -0.02 -0.08 0.31 -0.75 4.34 3.80 2x9yA1 ALA 611 HB3 -0.02 0.03 0.08 -0.04 1.41 1.47 2x9yA1 GLY 612 H -0.01 0.05 0.18 -0.55 8.43 8.10 2x9yA1 GLY 612 HA2 -0.01 0.00 0.33 -0.51 4.01 3.83 2x9yA1 GLY 612 HA3 -0.01 0.19 0.55 -0.51 4.01 4.23 2x9yA1 SER 613 H -0.01 0.29 -0.07 -0.55 8.46 8.13 2x9yA1 SER 613 HA -0.00 0.15 0.45 -0.75 4.49 4.34 2x9yA1 SER 613 HB2 0.00 0.04 0.11 -0.04 3.95 4.06 2x9yA1 SER 613 HB3 0.00 0.15 0.11 -0.04 3.93 4.16 2x9yA1 GLY 614 H -0.01 -0.03 -0.19 -0.55 8.43 7.65 2x9yA1 GLY 614 HA2 -0.01 -0.01 0.23 -0.51 4.01 3.72 2x9yA1 GLY 614 HA3 -0.01 0.24 0.59 -0.51 4.01 4.32 2x9yA1 LYS 615 H -0.01 0.09 -0.39 -0.55 8.42 7.55 2x9yA1 LYS 615 HA -0.02 0.18 0.91 -0.75 4.32 4.64 2x9yA1 ASP 616 H -0.03 0.19 0.02 -0.55 8.40 8.04 2x9yA1 ASP 616 HA -0.03 0.09 0.31 -0.75 4.63 4.25 2x9yA1 ASP 616 HB2 -0.03 -0.05 -0.14 -0.04 2.71 2.44 2x9yA1 ASP 616 HB3 -0.02 0.07 -0.13 -0.04 2.70 2.58 2x9yA1 ASP 617 H -0.06 0.15 0.10 -0.55 8.40 8.04 2x9yA1 ASP 617 HA -0.11 0.45 0.58 -0.75 4.63 4.79 2x9yA1 ASP 617 HB2 -0.21 0.12 -0.05 -0.04 2.71 2.52 2x9yA1 ASP 617 HB3 -0.10 0.02 -0.35 -0.04 2.70 2.22 2x9yA1 ALA 618 H -0.09 0.30 -0.10 -0.55 8.40 7.97 2x9yA1 ALA 618 HA -0.29 0.27 0.73 -0.75 4.34 4.29 2x9yA1 ALA 618 HB3 -0.03 -0.01 -0.35 -0.04 1.41 0.98 2x9yA1 THR 619 H -0.34 0.57 0.25 -0.55 8.28 8.22 2x9yA1 THR 619 HA -0.06 0.24 0.81 -0.75 4.39 4.63 2x9yA1 THR 619 HB -0.12 -0.00 0.15 -0.04 4.32 4.31 2x9yA1 THR 619 HG23 0.10 0.03 -0.06 -0.04 1.22 1.25 2x9yA1 LYS 620 H 0.01 0.18 0.12 -0.55 8.42 8.17 2x9yA1 LYS 620 HA 0.01 0.17 0.66 -0.75 4.32 4.41 2x9yA1 LYS 620 HB2 0.02 -0.01 0.10 -0.04 1.87 1.94 2x9yA1 LYS 620 HB3 0.03 -0.02 -0.13 -0.04 1.79 1.63 2x9yA1 LYS 620 HG2 0.01 0.05 -0.09 -0.04 1.46 1.38 2x9yA1 LYS 620 HG3 -0.00 -0.03 -0.21 -0.04 1.46 1.17 2x9yA1 LYS 620 HD2 0.02 -0.02 -0.08 -0.04 1.69 1.57 2x9yA1 LYS 620 HD3 0.01 -0.01 -0.06 -0.04 1.68 1.57 2x9yA1 LYS 620 HE2 0.00 0.18 -0.06 -0.04 2.99 3.07 2x9yA1 LYS 620 HE3 0.01 -0.05 -0.00 -0.04 2.99 2.91 2x9yA1 VAL 621 H 0.04 0.80 0.35 -0.55 8.24 8.88 2x9yA1 VAL 621 HA 0.06 0.12 0.81 -0.75 4.13 4.37 2x9yA1 VAL 621 HB 0.10 -0.01 0.08 -0.04 2.12 2.24 2x9yA1 VAL 621 HG13 0.09 -0.00 -0.14 -0.04 0.97 0.88 2x9yA1 VAL 621 HG23 -0.08 0.01 -0.22 -0.04 0.95 0.62 2x9yA1 VAL 622 H 0.07 0.14 0.05 -0.55 8.24 7.96 2x9yA1 VAL 622 HA 0.05 0.32 0.59 -0.75 4.13 4.33 2x9yA1 VAL 622 HB 0.06 -0.04 0.03 -0.04 2.12 2.13 2x9yA1 VAL 622 HG13 0.06 -0.00 -0.29 -0.04 0.97 0.70 2x9yA1 VAL 622 HG23 0.04 0.01 -0.17 -0.04 0.95 0.79 2x9yA1 ASN 623 H 0.02 0.49 0.45 -0.55 8.53 8.95 2x9yA1 ASN 623 HA 0.08 0.18 0.94 -0.75 4.76 5.21 2x9yA1 ASN 623 HB2 -0.28 -0.01 0.01 -0.04 2.88 2.56 2x9yA1 ASN 623 HB3 0.03 0.00 -0.02 -0.04 2.79 2.76 2x9yA1 LYS 624 H 0.18 0.29 0.19 -0.55 8.42 8.52 2x9yA1 LYS 624 HA 0.16 0.12 1.01 -0.75 4.32 4.86 2x9yA1 LYS 625 H 0.04 0.13 0.09 -0.55 8.42 8.13 2x9yA1 LYS 625 HA -0.42 0.34 0.44 -0.75 4.32 3.92 2x9yA1 LYS 625 HB2 -0.07 -0.05 0.13 -0.04 1.87 1.84 2x9yA1 LYS 625 HB3 -0.17 0.07 0.12 -0.04 1.79 1.76 2x9yA1 LYS 625 HG2 -0.08 -0.11 0.07 -0.04 1.46 1.29 2x9yA1 LYS 625 HG3 -0.11 -0.02 0.06 -0.04 1.46 1.35 2x9yA1 LYS 625 HD2 -1.25 0.21 0.01 -0.04 1.69 0.61 2x9yA1 LYS 625 HD3 -0.52 -0.06 -0.03 -0.04 1.68 1.04 2x9yA1 LYS 625 HE2 -0.17 -0.08 0.04 -0.04 2.99 2.73 2x9yA1 LYS 625 HE3 -0.27 0.02 0.10 -0.04 2.99 2.80