============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 2 1.000 44.305 -9.440 18.327 -99.200 -91.000 TYR 6 0.840 43.587 -20.050 5.569 -99.200 -91.000 TYR 7 0.840 40.333 -11.940 6.747 -99.200 -91.000 HIS 11 0.900 48.893 -10.422 -8.493 -99.200 -91.000 TRP 28 1.040 32.329 1.653 -4.291 -99.200 -91.000 TRP6 28 1.020 32.849 3.621 -3.097 -99.200 -91.000 TYR 40 0.840 37.103 -9.577 -19.698 -99.200 -91.000 PHE 44 1.000 42.160 -10.398 -21.650 -99.200 -91.000 PHE 51 1.000 48.151 -7.688 -4.968 -99.200 -91.000 TYR 64 0.840 39.151 -3.850 -8.529 -99.200 -91.000 HIS 86 0.900 47.689 0.075 -18.320 -99.200 -91.000 PHE 116 1.000 50.283 -7.466 -0.617 -99.200 -91.000 TYR 120 0.840 52.552 -6.137 -6.185 -99.200 -91.000 TYR 139 0.840 30.817 19.776 0.424 -99.200 -91.000 TYR 142 0.840 31.861 18.969 7.899 -99.200 -91.000 TYR 150 0.840 34.440 18.148 4.107 -99.200 -91.000 HIS 152 0.900 43.877 20.952 2.092 -99.200 -91.000 PHE 167 1.000 41.660 3.452 4.022 -99.200 -91.000 HIS 168 0.900 43.084 7.240 0.125 -99.200 -91.000 HIS 171 0.900 46.471 3.380 5.796 -99.200 -91.000 TYR 182 0.840 38.403 10.888 -11.386 -99.200 -91.000 TRP 187 1.040 23.274 13.335 -5.811 -99.200 -91.000 TRP6 187 1.020 22.508 14.176 -3.735 -99.200 -91.000 TYR 198 0.840 48.947 6.853 -0.316 -99.200 -91.000 HIS 202 0.900 58.348 6.106 3.009 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2refA1 CYS 222 HA 0.10 -0.08 0.15 -0.75 4.58 4.00 2refA1 CYS 222 HB2 0.04 0.00 -0.12 -0.04 2.97 2.85 2refA1 CYS 222 HB3 0.08 0.03 -0.10 -0.04 2.97 2.95 2refA1 PHE 223 H 0.32 0.09 0.03 -0.55 8.34 8.22 2refA1 PHE 223 HA 0.01 0.06 0.65 -0.75 4.62 4.60 2refA1 PHE 223 HB2 0.01 -0.00 0.16 -0.04 3.15 3.28 2refA1 PHE 223 HB3 0.01 -0.04 0.03 -0.04 3.06 3.02 2refA1 PHE 223 HD2 0.01 -0.03 -0.00 -0.04 7.28 7.22 2refA1 PHE 223 HE2 0.00 0.00 -0.01 -0.04 7.38 7.34 2refA1 PHE 223 HZ 0.00 0.00 -0.01 -0.04 7.32 7.28 2refA1 GLU 224 H -0.02 0.26 0.17 -0.55 8.60 8.47 2refA1 GLU 224 HA 0.04 0.08 0.31 -0.75 4.29 3.97 2refA1 GLU 224 HB2 0.10 -0.07 0.00 -0.04 2.09 2.08 2refA1 GLU 224 HB3 0.05 0.09 0.12 -0.04 1.99 2.20 2refA1 GLU 224 HG2 -0.01 0.11 0.11 -0.04 2.34 2.50 2refA1 GLU 224 HG3 0.11 -0.19 -0.01 -0.04 2.34 2.21 2refA1 ASN 225 H 0.13 0.01 -0.17 -0.55 8.53 7.96 2refA1 ASN 225 HA 0.08 -0.02 0.27 -0.75 4.76 4.34 2refA1 ASN 225 HB2 0.06 0.29 0.23 -0.04 2.88 3.41 2refA1 ASN 225 HB3 0.04 -0.07 0.27 -0.04 2.79 2.99 2refA1 ASN 225 HD21 0.03 -0.06 0.01 -0.04 7.03 6.97 2refA1 ASN 225 HD22 0.04 0.01 0.02 -0.04 7.74 7.77 2refA1 ASN 226 H 0.07 0.07 -0.00 -0.55 8.53 8.12 2refA1 ASN 226 HA -0.06 0.19 0.82 -0.75 4.76 4.96 2refA1 ASN 226 HB2 -0.16 -0.04 -0.01 -0.04 2.88 2.64 2refA1 ASN 226 HB3 -0.52 0.01 -0.14 -0.04 2.79 2.11 2refA1 ASN 226 HD21 -0.00 0.05 -0.08 -0.04 7.03 6.95 2refA1 ASN 226 HD22 -0.02 -0.02 -0.08 -0.04 7.74 7.57 2refA1 TYR 227 H -0.02 0.15 0.09 -0.55 8.29 7.96 2refA1 TYR 227 HA -0.07 0.11 0.51 -0.75 4.56 4.36 2refA1 TYR 227 HB2 -0.07 0.03 0.10 -0.04 3.06 3.08 2refA1 TYR 227 HB3 -0.10 -0.10 0.21 -0.04 2.98 2.95 2refA1 TYR 227 HD2 -0.04 -0.03 -0.10 -0.04 7.15 6.94 2refA1 TYR 227 HE2 -0.01 -0.00 -0.07 -0.04 6.85 6.72 2refA1 TYR 228 H -0.12 0.24 0.27 -0.55 8.29 8.13 2refA1 TYR 228 HA -0.05 0.35 0.99 -0.75 4.56 5.10 2refA1 TYR 228 HB2 -0.13 -0.02 0.11 -0.04 3.06 2.98 2refA1 TYR 228 HB3 -0.11 0.00 -0.05 -0.04 2.98 2.78 2refA1 TYR 228 HD2 -0.05 0.08 -0.07 -0.04 7.15 7.07 2refA1 TYR 228 HE2 -0.02 -0.04 -0.09 -0.04 6.85 6.65 2refA1 ASN 229 H 0.06 0.61 0.36 -0.55 8.53 9.01 2refA1 ASN 229 HA -0.09 0.16 0.92 -0.75 4.76 5.00 2refA1 ASN 229 HB2 0.06 0.01 -0.10 -0.04 2.88 2.81 2refA1 ASN 229 HB3 0.04 -0.02 0.04 -0.04 2.79 2.81 2refA1 ASN 229 HD21 0.02 0.00 -0.13 -0.04 7.03 6.88 2refA1 ASN 229 HD22 0.04 -0.01 -0.14 -0.04 7.74 7.59 2refA1 LEU 230 H -0.12 0.23 0.13 -0.55 8.37 8.07 2refA1 LEU 230 HA -0.10 0.40 1.09 -0.75 4.35 4.98 2refA1 LEU 230 HB2 -0.31 -0.06 -0.09 -0.04 1.64 1.13 2refA1 LEU 230 HB3 -0.41 -0.01 0.12 -0.04 1.64 1.30 2refA1 LEU 230 HG -0.47 0.04 -0.16 -0.04 1.64 1.01 2refA1 LEU 230 HD13 -0.20 0.07 -0.15 -0.04 0.93 0.60 2refA1 LEU 230 HD23 -1.26 -0.01 -0.09 -0.04 0.89 -0.51 2refA1 ARG 231 H -0.01 0.51 0.31 -0.55 8.46 8.72 2refA1 ARG 231 HA -0.04 0.14 0.78 -0.75 4.34 4.47 2refA1 ARG 231 HB2 0.01 0.03 0.10 -0.04 1.90 2.01 2refA1 ARG 231 HB3 -0.00 0.01 -0.16 -0.04 1.80 1.61 2refA1 ARG 231 HG2 0.00 -0.04 -0.18 -0.04 1.67 1.41 2refA1 ARG 231 HG3 0.01 0.02 -0.26 -0.04 1.67 1.40 2refA1 ARG 231 HD2 0.03 0.07 -0.07 -0.04 3.22 3.20 2refA1 ARG 231 HD3 0.02 -0.03 -0.11 -0.04 3.22 3.07 2refA1 HIS 232 H -0.08 0.09 0.17 -0.55 8.41 8.05 2refA1 HIS 232 HA -0.28 0.30 0.75 -0.75 4.63 4.65 2refA1 HIS 232 HB2 -0.08 -0.12 0.11 -0.04 3.26 3.12 2refA1 HIS 232 HB3 -0.16 0.15 0.06 -0.04 3.20 3.21 2refA1 HIS 232 HD2 -0.02 -0.08 0.05 -0.04 6.97 6.88 2refA1 HIS 232 HE1 -0.70 0.22 0.08 -0.04 7.75 7.30 2refA1 PRO 233 HA 0.02 -0.02 0.46 -0.51 4.44 4.40 2refA1 PRO 233 HB2 0.04 0.02 -0.08 -0.04 2.28 2.22 2refA1 PRO 233 HB3 0.03 -0.03 0.01 -0.04 2.02 1.99 2refA1 PRO 233 HG2 -0.01 0.07 0.07 -0.04 2.03 2.12 2refA1 PRO 233 HG3 0.02 0.00 -0.04 -0.04 2.03 1.97 2refA1 PRO 233 HD2 -0.03 0.38 0.25 -0.04 3.68 4.24 2refA1 PRO 233 HD3 -0.08 0.02 -0.11 -0.04 3.65 3.44 2refA1 LYS 234 H 0.04 0.08 0.19 -0.55 8.42 8.17 2refA1 LYS 234 HA 0.03 0.31 0.71 -0.75 4.32 4.60 2refA1 LYS 234 HB2 0.04 -0.12 0.03 -0.04 1.87 1.78 2refA1 LYS 234 HB3 0.04 -0.06 0.16 -0.04 1.79 1.88 2refA1 LYS 234 HG2 0.03 0.13 -0.07 -0.04 1.46 1.51 2refA1 LYS 234 HG3 0.03 0.09 -0.26 -0.04 1.46 1.28 2refA1 LYS 234 HD2 0.03 -0.07 -0.02 -0.04 1.69 1.59 2refA1 LYS 234 HD3 0.03 -0.01 0.00 -0.04 1.68 1.66 2refA1 LYS 234 HE2 0.03 0.05 -0.04 -0.04 2.99 3.00 2refA1 LYS 234 HE3 0.03 0.04 -0.05 -0.04 2.99 2.97 2refA1 ILE 235 H 0.07 0.23 0.13 -0.55 8.25 8.13 2refA1 ILE 235 HA 0.12 0.12 0.32 -0.75 4.18 3.98 2refA1 ILE 235 HB 0.11 0.01 0.16 -0.04 1.89 2.13 2refA1 ILE 235 HG12 0.25 0.02 0.02 -0.04 1.49 1.74 2refA1 ILE 235 HG13 0.24 -0.02 0.01 -0.04 1.21 1.39 2refA1 ILE 235 HG23 0.12 -0.00 -0.12 -0.04 0.93 0.89 2refA1 ILE 235 HD13 0.17 0.02 -0.04 -0.04 0.88 0.98 2refA1 GLU 236 H 0.06 0.11 -0.19 -0.55 8.60 8.04 2refA1 GLU 236 HA 0.05 0.07 0.39 -0.75 4.29 4.05 2refA1 GLU 236 HB2 0.04 0.04 0.02 -0.04 2.09 2.14 2refA1 GLU 236 HB3 0.04 0.03 0.08 -0.04 1.99 2.11 2refA1 GLU 236 HG2 0.04 -0.00 0.01 -0.04 2.34 2.35 2refA1 GLU 236 HG3 0.04 -0.07 -0.09 -0.04 2.34 2.18 2refA1 ASP 237 H 0.06 0.47 -0.48 -0.55 8.40 7.90 2refA1 ASP 237 HA 0.05 0.08 0.45 -0.75 4.63 4.46 2refA1 ASP 237 HB2 0.06 0.18 0.04 -0.04 2.71 2.96 2refA1 ASP 237 HB3 0.06 -0.04 0.09 -0.04 2.70 2.77 2refA1 LEU 238 H 0.08 0.52 -0.38 -0.55 8.37 8.05 2refA1 LEU 238 HA 0.11 0.05 0.21 -0.75 4.35 3.96 2refA1 LEU 238 HB2 0.16 0.13 0.12 -0.04 1.64 2.01 2refA1 LEU 238 HB3 0.08 -0.00 0.11 -0.04 1.64 1.79 2refA1 LEU 238 HG 0.07 -0.05 -0.25 -0.04 1.64 1.37 2refA1 LEU 238 HD13 0.18 0.00 -0.06 -0.04 0.93 1.02 2refA1 LEU 238 HD23 0.05 0.00 -0.03 -0.04 0.89 0.87 2refA1 ARG 239 H 0.05 0.23 -0.12 -0.55 8.46 8.07 2refA1 ARG 239 HA 0.04 0.06 0.35 -0.75 4.34 4.04 2refA1 ARG 239 HB2 0.03 0.04 0.11 -0.04 1.90 2.04 2refA1 ARG 239 HB3 0.03 0.05 0.01 -0.04 1.80 1.85 2refA1 ARG 239 HG2 0.03 -0.04 0.08 -0.04 1.67 1.70 2refA1 ARG 239 HG3 0.02 0.01 0.03 -0.04 1.67 1.69 2refA1 ARG 239 HD2 0.02 0.03 -0.00 -0.04 3.22 3.22 2refA1 ARG 239 HD3 0.02 0.01 -0.05 -0.04 3.22 3.15 2refA1 ASP 240 H 0.05 0.18 -0.19 -0.55 8.40 7.89 2refA1 ASP 240 HA 0.04 0.06 0.52 -0.75 4.63 4.49 2refA1 ASP 240 HB2 0.05 0.10 0.11 -0.04 2.71 2.93 2refA1 ASP 240 HB3 0.04 0.01 0.03 -0.04 2.70 2.74 2refA1 LEU 241 H 0.08 0.54 -0.17 -0.55 8.37 8.27 2refA1 LEU 241 HA 0.11 0.06 0.52 -0.75 4.35 4.30 2refA1 LEU 241 HB2 0.13 0.11 0.04 -0.04 1.64 1.87 2refA1 LEU 241 HB3 0.21 -0.04 -0.06 -0.04 1.64 1.72 2refA1 LEU 241 HG 0.09 0.06 -0.03 -0.04 1.64 1.72 2refA1 LEU 241 HD13 0.16 -0.01 -0.14 -0.04 0.93 0.90 2refA1 LEU 241 HD23 0.12 -0.01 -0.08 -0.04 0.89 0.88 2refA1 ILE 242 H 0.07 0.48 -0.12 -0.55 8.25 8.13 2refA1 ILE 242 HA 0.07 0.05 0.49 -0.75 4.18 4.03 2refA1 ILE 242 HB 0.05 0.11 0.17 -0.04 1.89 2.17 2refA1 ILE 242 HG12 0.04 -0.07 0.02 -0.04 1.49 1.44 2refA1 ILE 242 HG13 0.07 0.11 0.05 -0.04 1.21 1.39 2refA1 ILE 242 HG23 0.04 -0.01 -0.09 -0.04 0.93 0.82 2refA1 ILE 242 HD13 0.04 -0.02 -0.04 -0.04 0.88 0.81 2refA1 ALA 243 H 0.05 0.50 -0.11 -0.55 8.40 8.30 2refA1 ALA 243 HA 0.04 0.01 0.45 -0.75 4.34 4.09 2refA1 ALA 243 HB3 0.04 0.04 0.12 -0.04 1.41 1.57 2refA1 LEU 244 H 0.07 0.41 -0.36 -0.55 8.37 7.95 2refA1 LEU 244 HA 0.05 -0.00 0.30 -0.75 4.35 3.94 2refA1 LEU 244 HB2 0.06 0.10 0.03 -0.04 1.64 1.80 2refA1 LEU 244 HB3 0.11 0.13 0.07 -0.04 1.64 1.91 2refA1 LEU 244 HG 0.10 -0.03 -0.32 -0.04 1.64 1.36 2refA1 LEU 244 HD13 0.02 0.00 -0.24 -0.04 0.93 0.68 2refA1 LEU 244 HD23 0.08 -0.01 -0.26 -0.04 0.89 0.66 2refA1 GLU 245 H 0.12 0.39 -0.35 -0.55 8.60 8.21 2refA1 GLU 245 HA 0.26 -0.00 0.40 -0.75 4.29 4.19 2refA1 GLU 245 HB2 0.13 0.06 0.12 -0.04 2.09 2.36 2refA1 GLU 245 HB3 0.10 0.12 0.11 -0.04 1.99 2.29 2refA1 GLU 245 HG2 0.07 0.12 0.03 -0.04 2.34 2.52 2refA1 GLU 245 HG3 0.19 -0.01 -0.04 -0.04 2.34 2.44 2refA1 THR 246 H 0.09 0.41 -0.17 -0.55 8.28 8.06 2refA1 THR 246 HA 0.10 0.04 0.39 -0.75 4.39 4.17 2refA1 THR 246 HB 0.05 0.12 0.13 -0.04 4.32 4.57 2refA1 THR 246 HG23 0.05 -0.03 -0.02 -0.04 1.22 1.17 2refA1 LEU 247 H 0.05 0.38 -0.19 -0.55 8.37 8.06 2refA1 LEU 247 HA 0.01 0.04 0.39 -0.75 4.35 4.03 2refA1 LEU 247 HB2 0.00 0.06 0.09 -0.04 1.64 1.75 2refA1 LEU 247 HB3 -0.02 -0.08 0.09 -0.04 1.64 1.59 2refA1 LEU 247 HG 0.02 0.11 0.03 -0.04 1.64 1.76 2refA1 LEU 247 HD13 0.01 -0.02 -0.03 -0.04 0.93 0.85 2refA1 LEU 247 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.83 2refA1 CYS 248 H 0.01 0.34 -0.34 -0.55 8.50 7.96 2refA1 CYS 248 HA -0.27 0.08 0.56 -0.75 4.58 4.20 2refA1 CYS 248 HB2 -0.11 0.09 0.06 -0.04 2.97 2.96 2refA1 CYS 248 HB3 -0.65 -0.09 0.07 -0.04 2.97 2.26 2refA1 TRP 249 H 0.11 0.46 -0.12 -0.55 7.97 7.88 2refA1 TRP 249 HA 0.02 0.07 0.94 -0.75 4.62 4.89 2refA1 TRP 249 HB2 0.03 0.10 -0.05 -0.04 3.23 3.27 2refA1 TRP 249 HB3 0.02 -0.09 -0.17 -0.04 3.23 2.95 2refA1 TRP 249 HD1 0.04 0.01 -0.07 -0.04 7.22 7.16 2refA1 TRP 249 HE1 0.07 -0.03 -0.09 -0.04 10.20 10.11 2refA1 TRP 249 HE3 0.01 -0.11 0.07 -0.04 7.59 7.52 2refA1 TRP 249 HZ2 0.05 -0.00 0.05 -0.04 7.44 7.50 2refA1 TRP 249 HZ3 0.01 -0.07 0.01 -0.04 7.13 7.04 2refA1 TRP 249 HH2 0.04 -0.07 0.01 -0.04 7.19 7.12 2refA1 SER 250 H 0.30 0.07 0.12 -0.55 8.46 8.40 2refA1 SER 250 HA 0.12 0.16 0.53 -0.75 4.49 4.54 2refA1 SER 250 HB2 0.12 -0.03 0.17 -0.04 3.95 4.17 2refA1 SER 250 HB3 0.12 0.09 0.15 -0.04 3.93 4.25 2refA1 GLU 251 H 0.10 0.16 0.18 -0.55 8.60 8.49 2refA1 GLU 251 HA 0.08 0.14 0.40 -0.75 4.29 4.16 2refA1 GLU 251 HB2 0.07 0.03 0.18 -0.04 2.09 2.33 2refA1 GLU 251 HB3 0.07 -0.01 0.07 -0.04 1.99 2.08 2refA1 GLU 251 HG2 0.04 0.00 -0.02 -0.04 2.34 2.33 2refA1 GLU 251 HG3 0.05 0.03 0.09 -0.04 2.34 2.47 2refA1 ASN 252 H 0.10 0.02 -0.25 -0.55 8.53 7.85 2refA1 ASN 252 HA 0.05 0.12 0.46 -0.75 4.76 4.64 2refA1 ASN 252 HB2 0.11 -0.08 0.02 -0.04 2.88 2.89 2refA1 ASN 252 HB3 0.08 0.04 -0.06 -0.04 2.79 2.81 2refA1 ASN 252 HD21 0.26 -0.03 0.09 -0.04 7.03 7.31 2refA1 ASN 252 HD22 0.31 -0.05 0.13 -0.04 7.74 8.09 2refA1 LEU 253 H 0.07 0.43 -0.46 -0.55 8.37 7.86 2refA1 LEU 253 HA -0.11 0.17 0.80 -0.75 4.35 4.45 2refA1 LEU 253 HB2 0.16 -0.02 -0.01 -0.04 1.64 1.72 2refA1 LEU 253 HB3 -0.40 0.03 0.03 -0.04 1.64 1.26 2refA1 LEU 253 HG 0.00 -0.08 -0.46 -0.04 1.64 1.06 2refA1 LEU 253 HD13 0.16 -0.02 -0.03 -0.04 0.93 0.99 2refA1 LEU 253 HD23 -0.15 0.01 -0.05 -0.04 0.89 0.66 2refA1 GLN 254 H 0.04 0.15 -0.15 -0.55 8.47 7.96 2refA1 GLN 254 HA -0.02 0.03 0.44 -0.75 4.36 4.05 2refA1 GLN 254 HB2 0.04 -0.00 0.01 -0.04 2.15 2.16 2refA1 GLN 254 HB3 0.05 0.06 -0.08 -0.04 2.02 2.01 2refA1 GLN 254 HG2 0.19 0.11 -0.21 -0.04 2.40 2.45 2refA1 GLN 254 HG3 0.19 0.14 -0.23 -0.04 2.39 2.45 2refA1 GLN 254 HE21 0.08 -0.16 -0.00 -0.04 6.97 6.85 2refA1 GLN 254 HE22 0.14 0.78 0.04 -0.04 7.69 8.61 2refA1 VAL 255 H -0.07 0.10 0.12 -0.55 8.24 7.84 2refA1 VAL 255 HA -0.07 0.15 0.76 -0.75 4.13 4.22 2refA1 VAL 255 HB -0.08 -0.09 0.06 -0.04 2.12 1.97 2refA1 VAL 255 HG13 -0.13 0.03 -0.04 -0.04 0.97 0.79 2refA1 VAL 255 HG23 -0.11 0.01 -0.15 -0.04 0.95 0.66 2refA1 ASP 256 H -0.04 0.09 0.09 -0.55 8.40 8.00 2refA1 ASP 256 HA -0.00 0.25 0.47 -0.75 4.63 4.60 2refA1 ASP 256 HB2 -0.01 -0.07 0.15 -0.04 2.71 2.75 2refA1 ASP 256 HB3 -0.01 0.14 0.06 -0.04 2.70 2.84 2refA1 ASN 257 H 0.00 0.21 0.15 -0.55 8.53 8.35 2refA1 ASN 257 HA 0.02 0.12 0.33 -0.75 4.76 4.48 2refA1 ASN 257 HB2 -0.01 -0.01 0.11 -0.04 2.88 2.93 2refA1 ASN 257 HB3 0.00 0.04 0.03 -0.04 2.79 2.82 2refA1 ASN 257 HD21 0.00 0.05 0.02 -0.04 7.03 7.06 2refA1 ASN 257 HD22 -0.01 0.01 0.02 -0.04 7.74 7.72 2refA1 GLU 258 H 0.00 0.08 -0.24 -0.55 8.60 7.90 2refA1 GLU 258 HA 0.07 0.09 0.35 -0.75 4.29 4.05 2refA1 GLU 258 HB2 0.01 -0.01 0.04 -0.04 2.09 2.08 2refA1 GLU 258 HB3 0.03 0.08 -0.01 -0.04 1.99 2.04 2refA1 GLU 258 HG2 -0.01 0.07 0.00 -0.04 2.34 2.36 2refA1 GLU 258 HG3 -0.03 0.03 0.00 -0.04 2.34 2.31 2refA1 GLU 259 H -0.00 0.20 -0.27 -0.55 8.60 7.99 2refA1 GLU 259 HA -0.01 0.10 0.49 -0.75 4.29 4.12 2refA1 GLU 259 HB2 -0.04 -0.02 0.07 -0.04 2.09 2.06 2refA1 GLU 259 HB3 -0.05 0.08 0.04 -0.04 1.99 2.02 2refA1 GLU 259 HG2 -0.07 0.03 -0.03 -0.04 2.34 2.23 2refA1 GLU 259 HG3 -0.12 0.03 -0.22 -0.04 2.34 1.99 2refA1 ILE 260 H -0.01 0.36 -0.23 -0.55 8.25 7.82 2refA1 ILE 260 HA -0.13 0.07 0.39 -0.75 4.18 3.76 2refA1 ILE 260 HB 0.05 0.12 0.07 -0.04 1.89 2.09 2refA1 ILE 260 HG12 -0.05 0.05 -0.14 -0.04 1.49 1.31 2refA1 ILE 260 HG13 0.02 -0.02 -0.14 -0.04 1.21 1.02 2refA1 ILE 260 HG23 0.09 -0.01 -0.21 -0.04 0.93 0.76 2refA1 ILE 260 HD13 -0.13 0.00 -0.14 -0.04 0.88 0.57 2refA1 TYR 261 H 0.15 0.45 -0.14 -0.55 8.29 8.20 2refA1 TYR 261 HA 0.04 0.01 0.35 -0.75 4.56 4.21 2refA1 TYR 261 HB2 -0.01 0.01 0.07 -0.04 3.06 3.09 2refA1 TYR 261 HB3 -0.01 0.09 0.12 -0.04 2.98 3.14 2refA1 TYR 261 HD2 -0.02 0.01 -0.06 -0.04 7.15 7.03 2refA1 TYR 261 HE2 -0.22 -0.00 -0.04 -0.04 6.85 6.56 2refA1 ARG 262 H 0.08 0.55 -0.17 -0.55 8.46 8.36 2refA1 ARG 262 HA -0.01 -0.02 0.36 -0.75 4.34 3.92 2refA1 ARG 262 HB2 0.05 0.01 0.12 -0.04 1.90 2.03 2refA1 ARG 262 HB3 -0.00 0.09 0.16 -0.04 1.80 2.00 2refA1 ARG 262 HG2 -0.04 -0.01 -0.25 -0.04 1.67 1.33 2refA1 ARG 262 HG3 0.03 -0.03 0.02 -0.04 1.67 1.65 2refA1 ARG 262 HD2 -0.00 0.06 -0.02 -0.04 3.22 3.22 2refA1 ARG 262 HD3 0.01 -0.04 -0.02 -0.04 3.22 3.14 2refA1 ARG 263 H -0.04 0.49 -0.25 -0.55 8.46 8.11 2refA1 ARG 263 HA -0.06 0.02 0.33 -0.75 4.34 3.88 2refA1 ARG 263 HB2 -0.02 0.10 0.14 -0.04 1.90 2.07 2refA1 ARG 263 HB3 0.10 -0.00 -0.02 -0.04 1.80 1.84 2refA1 ARG 263 HG2 -0.04 0.01 0.00 -0.04 1.67 1.61 2refA1 ARG 263 HG3 -0.08 0.11 0.07 -0.04 1.67 1.73 2refA1 ARG 263 HD2 -0.46 -0.03 -0.07 -0.04 3.22 2.62 2refA1 ARG 263 HD3 -0.21 -0.06 -0.06 -0.04 3.22 2.86 2refA1 ILE 264 H -0.01 0.45 -0.20 -0.55 8.25 7.94 2refA1 ILE 264 HA -0.01 0.15 0.35 -0.75 4.18 3.92 2refA1 ILE 264 HB 0.03 -0.07 -0.18 -0.04 1.89 1.64 2refA1 ILE 264 HG12 0.02 0.20 0.02 -0.04 1.49 1.69 2refA1 ILE 264 HG13 -0.04 0.03 -0.26 -0.04 1.21 0.90 2refA1 ILE 264 HG23 0.12 0.01 -0.11 -0.04 0.93 0.91 2refA1 ILE 264 HD13 0.12 -0.03 -0.17 -0.04 0.88 0.76 2refA1 PHE 265 H -0.12 0.46 -0.25 -0.55 8.34 7.87 2refA1 PHE 265 HA -0.21 0.09 0.80 -0.75 4.62 4.55 2refA1 PHE 265 HB2 -0.96 -0.09 0.03 -0.04 3.15 2.09 2refA1 PHE 265 HB3 -0.57 0.02 0.09 -0.04 3.06 2.56 2refA1 PHE 265 HD2 -0.12 -0.02 -0.05 -0.04 7.28 7.05 2refA1 PHE 265 HE2 0.01 -0.03 -0.02 -0.04 7.38 7.30 2refA1 PHE 265 HZ 0.02 -0.02 -0.02 -0.04 7.32 7.26 2refA1 LYS 266 H -0.06 0.62 0.15 -0.55 8.42 8.57 2refA1 LYS 266 HA -0.32 0.04 0.50 -0.75 4.32 3.79 2refA1 LYS 266 HB2 0.02 -0.06 0.15 -0.04 1.87 1.93 2refA1 LYS 266 HB3 -0.11 0.05 0.05 -0.04 1.79 1.74 2refA1 LYS 266 HG2 -0.03 -0.01 -0.02 -0.04 1.46 1.35 2refA1 LYS 266 HG3 -0.02 -0.03 0.07 -0.04 1.46 1.44 2refA1 LYS 266 HD2 0.07 -0.03 0.01 -0.04 1.69 1.69 2refA1 LYS 266 HD3 0.02 0.02 -0.02 -0.04 1.68 1.66 2refA1 LYS 266 HE2 0.15 -0.03 -0.02 -0.04 2.99 3.05 2refA1 LYS 266 HE3 0.07 -0.02 0.01 -0.04 2.99 3.01 2refA1 ILE 267 H -0.13 0.34 -0.19 -0.55 8.25 7.72 2refA1 ILE 267 HA -0.12 0.17 0.94 -0.75 4.18 4.42 2refA1 ILE 267 HB -0.11 0.10 0.25 -0.04 1.89 2.10 2refA1 ILE 267 HG12 -0.44 -0.02 -0.13 -0.04 1.49 0.86 2refA1 ILE 267 HG13 -0.23 -0.14 -0.24 -0.04 1.21 0.56 2refA1 ILE 267 HG23 -0.05 -0.05 0.02 -0.04 0.93 0.80 2refA1 ILE 267 HD13 -0.34 -0.00 0.05 -0.04 0.88 0.55 2refA1 PRO 268 HA -0.09 0.08 0.53 -0.51 4.44 4.44 2refA1 PRO 268 HB2 -0.18 -0.02 0.01 -0.04 2.28 2.05 2refA1 PRO 268 HB3 -0.10 0.15 0.13 -0.04 2.02 2.16 2refA1 PRO 268 HG2 -0.16 -0.06 0.06 -0.04 2.03 1.82 2refA1 PRO 268 HG3 -0.15 0.04 0.04 -0.04 2.03 1.92 2refA1 PRO 268 HD2 -0.18 0.18 -0.24 -0.04 3.68 3.40 2refA1 PRO 268 HD3 -0.20 0.24 -0.51 -0.04 3.65 3.14 2refA1 GLN 269 H -0.18 0.10 -0.25 -0.55 8.47 7.60 2refA1 GLN 269 HA -0.69 0.05 0.30 -0.75 4.36 3.26 2refA1 GLN 269 HB2 -0.03 0.04 -0.11 -0.04 2.15 2.02 2refA1 GLN 269 HB3 -0.07 0.01 0.08 -0.04 2.02 2.00 2refA1 GLN 269 HG2 -0.08 0.01 0.03 -0.04 2.40 2.32 2refA1 GLN 269 HG3 -0.17 -0.03 0.06 -0.04 2.39 2.20 2refA1 GLN 269 HE21 -0.02 0.01 0.03 -0.04 6.97 6.95 2refA1 GLN 269 HE22 -0.01 0.03 -0.02 -0.04 7.69 7.65 2refA1 GLY 270 H -0.07 0.33 -0.45 -0.55 8.43 7.69 2refA1 GLY 270 HA2 0.12 0.15 0.63 -0.51 4.01 4.40 2refA1 GLY 270 HA3 0.05 -0.04 0.23 -0.51 4.01 3.74 2refA1 GLN 271 H -0.16 0.49 -0.15 -0.55 8.47 8.10 2refA1 GLN 271 HA -0.03 0.22 1.05 -0.75 4.36 4.84 2refA1 GLN 271 HB2 -0.06 -0.04 0.01 -0.04 2.15 2.02 2refA1 GLN 271 HB3 -0.02 -0.08 0.13 -0.04 2.02 2.02 2refA1 GLN 271 HG2 -0.02 0.20 -0.01 -0.04 2.40 2.52 2refA1 GLN 271 HG3 0.09 -0.12 -0.25 -0.04 2.39 2.07 2refA1 GLN 271 HE21 0.01 0.24 0.14 -0.04 6.97 7.33 2refA1 GLN 271 HE22 -0.02 0.56 0.10 -0.04 7.69 8.28 2refA1 PHE 272 H -0.04 0.55 0.35 -0.55 8.34 8.65 2refA1 PHE 272 HA -0.12 0.26 0.76 -0.75 4.62 4.77 2refA1 PHE 272 HB2 -0.09 -0.09 0.04 -0.04 3.15 2.97 2refA1 PHE 272 HB3 -0.17 -0.01 -0.07 -0.04 3.06 2.77 2refA1 PHE 272 HD2 -0.19 -0.06 -0.28 -0.04 7.28 6.72 2refA1 PHE 272 HE2 -0.54 -0.03 -0.13 -0.04 7.38 6.64 2refA1 PHE 272 HZ -1.57 0.00 -0.06 -0.04 7.32 5.64 2refA1 ILE 273 H 0.02 0.82 0.33 -0.55 8.25 8.86 2refA1 ILE 273 HA -0.04 0.15 1.03 -0.75 4.18 4.56 2refA1 ILE 273 HB -0.00 0.10 0.01 -0.04 1.89 1.96 2refA1 ILE 273 HG12 0.02 -0.09 -0.04 -0.04 1.49 1.34 2refA1 ILE 273 HG13 0.01 0.01 0.03 -0.04 1.21 1.22 2refA1 ILE 273 HG23 0.01 -0.02 -0.23 -0.04 0.93 0.65 2refA1 ILE 273 HD13 -0.04 0.04 -0.22 -0.04 0.88 0.61 2refA1 LEU 274 H -0.02 0.94 0.38 -0.55 8.37 9.13 2refA1 LEU 274 HA -0.03 0.35 1.07 -0.75 4.35 4.99 2refA1 LEU 274 HB2 -0.07 0.00 -0.09 -0.04 1.64 1.45 2refA1 LEU 274 HB3 -0.02 -0.17 0.14 -0.04 1.64 1.55 2refA1 LEU 274 HG 0.09 -0.01 -0.27 -0.04 1.64 1.41 2refA1 LEU 274 HD13 -0.11 0.05 -0.09 -0.04 0.93 0.74 2refA1 LEU 274 HD23 -0.18 -0.01 -0.14 -0.04 0.89 0.51 2refA1 GLU 275 H 0.04 0.72 0.34 -0.55 8.60 9.16 2refA1 GLU 275 HA 0.05 0.24 1.14 -0.75 4.29 4.96 2refA1 GLU 275 HB2 0.04 -0.08 0.07 -0.04 2.09 2.08 2refA1 GLU 275 HB3 0.04 0.20 -0.24 -0.04 1.99 1.95 2refA1 GLU 275 HG2 0.03 -0.02 -0.28 -0.04 2.34 2.03 2refA1 GLU 275 HG3 0.02 -0.05 -0.31 -0.04 2.34 1.96 2refA1 LEU 276 H 0.04 0.56 0.16 -0.55 8.37 8.58 2refA1 LEU 276 HA -0.10 0.29 0.81 -0.75 4.35 4.60 2refA1 LEU 276 HB2 -0.02 -0.02 -0.07 -0.04 1.64 1.49 2refA1 LEU 276 HB3 -0.01 -0.04 0.07 -0.04 1.64 1.62 2refA1 LEU 276 HG -0.12 -0.02 -0.23 -0.04 1.64 1.23 2refA1 LEU 276 HD13 -0.65 0.05 -0.16 -0.04 0.93 0.13 2refA1 LEU 276 HD23 -0.06 -0.00 -0.08 -0.04 0.89 0.70 2refA1 GLU 277 H 0.01 0.36 0.11 -0.55 8.60 8.54 2refA1 GLU 277 HA -0.01 0.06 0.30 -0.75 4.29 3.89 2refA1 GLU 277 HB2 -0.02 0.06 0.47 -0.04 2.09 2.56 2refA1 GLU 277 HB3 -0.03 -0.03 0.24 -0.04 1.99 2.13 2refA1 GLU 277 HG2 -0.05 -0.05 -0.37 -0.04 2.34 1.83 2refA1 GLU 277 HG3 -0.03 0.02 -0.01 -0.04 2.34 2.27 2refA1 ASP 278 H -0.01 0.10 0.15 -0.55 8.40 8.10 2refA1 ASP 278 HA 0.01 0.11 0.52 -0.75 4.63 4.52 2refA1 ASP 278 HB2 0.00 0.00 0.03 -0.04 2.71 2.70 2refA1 ASP 278 HB3 0.01 0.00 0.07 -0.04 2.70 2.73 2refA1 LYS 279 H 0.01 0.29 -0.17 -0.55 8.42 7.99 2refA1 LYS 279 HA 0.02 -0.01 0.13 -0.75 4.32 3.70 2refA1 LYS 279 HB2 0.00 -0.03 0.14 -0.04 1.87 1.94 2refA1 LYS 279 HB3 0.01 0.00 -0.02 -0.04 1.79 1.74 2refA1 LYS 279 HG2 0.01 -0.05 0.02 -0.04 1.46 1.41 2refA1 LYS 279 HG3 0.01 -0.02 -0.00 -0.04 1.46 1.41 2refA1 LYS 279 HD2 0.02 -0.04 -0.26 -0.04 1.69 1.36 2refA1 LYS 279 HD3 0.02 0.10 -0.00 -0.04 1.68 1.76 2refA1 LYS 279 HE2 0.01 0.03 0.00 -0.04 2.99 3.00 2refA1 LYS 279 HE3 0.01 -0.04 -0.00 -0.04 2.99 2.92 2refA1 ILE 280 H 0.03 0.09 0.16 -0.55 8.25 7.98 2refA1 ILE 280 HA 0.03 0.25 0.94 -0.75 4.18 4.64 2refA1 ILE 280 HB 0.04 -0.06 0.13 -0.04 1.89 1.95 2refA1 ILE 280 HG12 0.03 0.06 -0.07 -0.04 1.49 1.47 2refA1 ILE 280 HG13 0.03 0.04 -0.04 -0.04 1.21 1.20 2refA1 ILE 280 HG23 0.04 0.01 -0.15 -0.04 0.93 0.78 2refA1 ILE 280 HD13 0.04 -0.03 -0.02 -0.04 0.88 0.83 2refA1 VAL 281 H 0.04 0.73 0.42 -0.55 8.24 8.88 2refA1 VAL 281 HA 0.02 0.17 0.89 -0.75 4.13 4.45 2refA1 VAL 281 HB 0.05 -0.07 0.06 -0.04 2.12 2.12 2refA1 VAL 281 HG13 0.04 0.01 -0.23 -0.04 0.97 0.75 2refA1 VAL 281 HG23 0.13 0.02 -0.24 -0.04 0.95 0.82 2refA1 GLY 282 H 0.02 0.33 0.31 -0.55 8.43 8.54 2refA1 GLY 282 HA2 -0.00 0.31 0.73 -0.51 4.01 4.54 2refA1 GLY 282 HA3 -0.02 -0.03 0.36 -0.51 4.01 3.82 2refA1 ALA 283 H -0.01 0.61 0.38 -0.55 8.40 8.83 2refA1 ALA 283 HA -0.11 0.30 0.85 -0.75 4.34 4.62 2refA1 ALA 283 HB3 -0.23 0.00 -0.03 -0.04 1.41 1.11 2refA1 ILE 284 H -0.16 0.63 0.35 -0.55 8.25 8.52 2refA1 ILE 284 HA -0.01 0.22 1.00 -0.75 4.18 4.65 2refA1 ILE 284 HB 0.03 -0.08 -0.04 -0.04 1.89 1.76 2refA1 ILE 284 HG12 0.11 0.04 -0.11 -0.04 1.49 1.50 2refA1 ILE 284 HG13 0.11 0.16 0.21 -0.04 1.21 1.66 2refA1 ILE 284 HG23 0.12 0.02 -0.01 -0.04 0.93 1.02 2refA1 ILE 284 HD13 0.06 -0.01 -0.09 -0.04 0.88 0.80 2refA1 TYR 285 H 0.19 0.59 0.38 -0.55 8.29 8.89 2refA1 TYR 285 HA 0.06 0.25 1.08 -0.75 4.56 5.20 2refA1 TYR 285 HB2 0.07 -0.13 0.08 -0.04 3.06 3.03 2refA1 TYR 285 HB3 0.04 0.07 0.03 -0.04 2.98 3.09 2refA1 TYR 285 HD2 0.06 0.04 -0.13 -0.04 7.15 7.08 2refA1 TYR 285 HE2 0.07 0.00 -0.15 -0.04 6.85 6.73 2refA1 SER 286 H 0.16 0.39 0.32 -0.55 8.46 8.79 2refA1 SER 286 HA 0.12 0.04 0.83 -0.75 4.49 4.73 2refA1 SER 286 HB2 0.11 -0.00 0.01 -0.04 3.95 4.02 2refA1 SER 286 HB3 0.13 -0.05 -0.17 -0.04 3.93 3.79 2refA1 GLN 287 H 0.08 0.64 0.36 -0.55 8.47 9.00 2refA1 GLN 287 HA 0.04 0.13 0.42 -0.75 4.36 4.19 2refA1 GLN 287 HB2 0.08 -0.05 0.13 -0.04 2.15 2.27 2refA1 GLN 287 HB3 -0.03 0.07 0.04 -0.04 2.02 2.07 2refA1 GLN 287 HG2 0.06 -0.01 -0.14 -0.04 2.40 2.27 2refA1 GLN 287 HG3 0.09 -0.04 -0.25 -0.04 2.39 2.15 2refA1 GLN 287 HE21 0.07 0.25 -0.24 -0.04 6.97 7.00 2refA1 GLN 287 HE22 0.08 -0.05 -0.22 -0.04 7.69 7.45 2refA1 ARG 288 H 0.40 0.16 0.16 -0.55 8.46 8.63 2refA1 ARG 288 HA 0.08 0.31 1.14 -0.75 4.34 5.11 2refA1 ARG 288 HB2 0.11 0.02 0.17 -0.04 1.90 2.15 2refA1 ARG 288 HB3 0.03 0.08 -0.00 -0.04 1.80 1.87 2refA1 ARG 288 HG2 0.06 0.06 -0.18 -0.04 1.67 1.57 2refA1 ARG 288 HG3 0.10 -0.15 -0.26 -0.04 1.67 1.32 2refA1 ARG 288 HD2 0.04 -0.03 -0.10 -0.04 3.22 3.10 2refA1 ARG 288 HD3 0.07 -0.04 -0.02 -0.04 3.22 3.19 2refA1 ILE 289 H 0.04 0.74 0.29 -0.55 8.25 8.77 2refA1 ILE 289 HA 0.00 0.24 0.88 -0.75 4.18 4.54 2refA1 ILE 289 HB 0.02 -0.09 0.07 -0.04 1.89 1.86 2refA1 ILE 289 HG12 0.04 0.12 -0.16 -0.04 1.49 1.45 2refA1 ILE 289 HG13 0.02 -0.10 -0.40 -0.04 1.21 0.69 2refA1 ILE 289 HG23 0.06 0.03 -0.40 -0.04 0.93 0.58 2refA1 ILE 289 HD13 0.03 0.01 -0.25 -0.04 0.88 0.64 2refA1 ASP 290 H -0.00 0.21 0.18 -0.55 8.40 8.24 2refA1 ASP 290 HA -0.01 0.01 0.70 -0.75 4.63 4.57 2refA1 ASP 290 HB2 -0.01 0.03 0.17 -0.04 2.71 2.86 2refA1 ASP 290 HB3 -0.01 0.03 0.01 -0.04 2.70 2.69 2refA1 ASN 291 H 0.01 0.21 0.08 -0.55 8.53 8.28 2refA1 ASN 291 HA 0.00 0.19 0.36 -0.75 4.76 4.56 2refA1 ASN 291 HB2 -0.00 0.02 0.10 -0.04 2.88 2.95 2refA1 ASN 291 HB3 -0.00 0.24 -0.05 -0.04 2.79 2.94 2refA1 ASN 291 HD21 -0.00 0.04 -0.08 -0.04 7.03 6.94 2refA1 ASN 291 HD22 -0.00 0.11 -0.19 -0.04 7.74 7.61 2refA1 PRO 292 HA 0.01 0.12 0.26 -0.51 4.44 4.31 2refA1 PRO 292 HB2 -0.01 0.05 -0.12 -0.04 2.28 2.16 2refA1 PRO 292 HB3 -0.01 0.06 -0.01 -0.04 2.02 2.02 2refA1 PRO 292 HG2 -0.01 0.09 -0.02 -0.04 2.03 2.05 2refA1 PRO 292 HG3 -0.00 0.08 -0.05 -0.04 2.03 2.01 2refA1 PRO 292 HD2 -0.00 0.11 0.12 -0.04 3.68 3.86 2refA1 PRO 292 HD3 0.00 0.19 0.15 -0.04 3.65 3.95 2refA1 GLN 293 H 0.00 0.11 -0.36 -0.55 8.47 7.68 2refA1 GLN 293 HA 0.00 0.10 0.44 -0.75 4.36 4.14 2refA1 GLN 293 HB2 0.00 -0.01 -0.01 -0.04 2.15 2.09 2refA1 GLN 293 HB3 0.00 0.05 -0.01 -0.04 2.02 2.03 2refA1 GLN 293 HG2 -0.00 0.04 -0.01 -0.04 2.40 2.39 2refA1 GLN 293 HG3 -0.00 0.01 -0.02 -0.04 2.39 2.34 2refA1 GLN 293 HE21 -0.01 0.04 -0.02 -0.04 6.97 6.95 2refA1 GLN 293 HE22 -0.01 0.02 -0.06 -0.04 7.69 7.60 2refA1 LEU 294 H 0.01 0.24 -0.27 -0.55 8.37 7.81 2refA1 LEU 294 HA 0.01 0.09 0.31 -0.75 4.35 4.01 2refA1 LEU 294 HB2 0.02 0.07 0.05 -0.04 1.64 1.73 2refA1 LEU 294 HB3 0.02 0.04 0.07 -0.04 1.64 1.73 2refA1 LEU 294 HG 0.01 -0.08 0.03 -0.04 1.64 1.55 2refA1 LEU 294 HD13 0.00 -0.03 0.08 -0.04 0.93 0.95 2refA1 LEU 294 HD23 0.00 0.02 -0.02 -0.04 0.89 0.85 2refA1 LEU 295 H 0.02 0.26 -0.77 -0.55 8.37 7.33 2refA1 LEU 295 HA 0.08 0.11 0.48 -0.75 4.35 4.26 2refA1 LEU 295 HB2 0.01 0.15 -0.01 -0.04 1.64 1.76 2refA1 LEU 295 HB3 0.07 -0.06 0.00 -0.04 1.64 1.61 2refA1 LEU 295 HG 0.04 -0.07 -0.15 -0.04 1.64 1.41 2refA1 LEU 295 HD13 -0.00 -0.00 -0.09 -0.04 0.93 0.79 2refA1 LEU 295 HD23 0.12 0.01 -0.13 -0.04 0.89 0.85 2refA1 ASP 296 H 0.02 0.43 -0.17 -0.55 8.40 8.13 2refA1 ASP 296 HA 0.03 -0.05 0.51 -0.75 4.63 4.36 2refA1 ASP 296 HB2 0.01 0.13 0.13 -0.04 2.71 2.94 2refA1 ASP 296 HB3 0.01 -0.04 -0.01 -0.04 2.70 2.62 2refA1 ASN 297 H 0.04 0.11 0.18 -0.55 8.53 8.31 2refA1 ASN 297 HA 0.03 0.02 0.29 -0.75 4.76 4.34 2refA1 ASN 297 HB2 0.01 0.17 0.01 -0.04 2.88 3.03 2refA1 ASN 297 HB3 0.01 -0.05 0.12 -0.04 2.79 2.83 2refA1 ASN 297 HD21 0.01 -0.04 -0.13 -0.04 7.03 6.83 2refA1 ASN 297 HD22 0.01 0.13 -0.23 -0.04 7.74 7.60 2refA1 LYS 298 H 0.07 0.32 -0.28 -0.55 8.42 7.98 2refA1 LYS 298 HA -0.00 0.11 0.91 -0.75 4.32 4.58 2refA1 LYS 298 HB2 0.08 0.01 -0.04 -0.04 1.87 1.88 2refA1 LYS 298 HB3 -0.01 -0.05 -0.02 -0.04 1.79 1.67 2refA1 LYS 298 HG2 0.03 0.16 -0.45 -0.04 1.46 1.16 2refA1 LYS 298 HG3 0.04 0.15 -0.00 -0.04 1.46 1.61 2refA1 LYS 298 HD2 -0.00 -0.11 -0.04 -0.04 1.69 1.49 2refA1 LYS 298 HD3 0.01 0.02 -0.10 -0.04 1.68 1.56 2refA1 LYS 298 HE2 0.02 0.03 -0.03 -0.04 2.99 2.97 2refA1 LYS 298 HE3 0.01 -0.09 -0.04 -0.04 2.99 2.82 2refA1 THR 299 H -0.07 0.07 0.17 -0.55 8.28 7.90 2refA1 THR 299 HA -0.21 0.36 1.03 -0.75 4.39 4.81 2refA1 THR 299 HB -0.13 -0.01 0.23 -0.04 4.32 4.37 2refA1 THR 299 HG23 -0.05 0.08 0.04 -0.04 1.22 1.25 2refA1 CYS 300 H -0.46 0.65 0.39 -0.55 8.50 8.54 2refA1 CYS 300 HA -0.64 0.07 0.37 -0.75 4.58 3.63 2refA1 CYS 300 HB2 -0.24 -0.00 0.09 -0.04 2.97 2.77 2refA1 CYS 300 HB3 -0.69 0.07 0.12 -0.04 2.97 2.43 2refA1 THR 301 H -0.16 0.10 -0.17 -0.55 8.28 7.50 2refA1 THR 301 HA -0.09 0.12 0.60 -0.75 4.39 4.27 2refA1 THR 301 HB -0.05 0.01 0.12 -0.04 4.32 4.35 2refA1 THR 301 HG23 -0.07 -0.00 0.03 -0.04 1.22 1.13 2refA1 GLN 302 H -0.12 0.36 -0.37 -0.55 8.47 7.80 2refA1 GLN 302 HA -0.03 0.12 0.76 -0.75 4.36 4.45 2refA1 GLN 302 HB2 -0.06 0.23 0.14 -0.04 2.15 2.42 2refA1 GLN 302 HB3 -0.02 0.01 0.02 -0.04 2.02 1.98 2refA1 GLN 302 HG2 -0.03 0.02 0.02 -0.04 2.40 2.37 2refA1 GLN 302 HG3 -0.05 -0.11 0.01 -0.04 2.39 2.19 2refA1 GLN 302 HE21 -0.01 0.07 0.04 -0.04 6.97 7.03 2refA1 GLN 302 HE22 -0.01 -0.02 0.02 -0.04 7.69 7.64 2refA1 VAL 303 H -0.09 0.22 -0.17 -0.55 8.24 7.64 2refA1 VAL 303 HA 0.01 0.04 0.11 -0.75 4.13 3.54 2refA1 VAL 303 HB 0.06 -0.04 -0.05 -0.04 2.12 2.05 2refA1 VAL 303 HG13 0.10 0.02 -0.06 -0.04 0.97 0.98 2refA1 VAL 303 HG23 -0.02 0.07 0.08 -0.04 0.95 1.05 2refA1 PRO 304 HA 0.02 0.03 0.36 -0.51 4.44 4.35 2refA1 PRO 304 HB2 0.00 0.06 -0.08 -0.04 2.28 2.23 2refA1 PRO 304 HB3 -0.00 -0.01 0.05 -0.04 2.02 2.01 2refA1 PRO 304 HG2 -0.03 0.02 -0.01 -0.04 2.03 1.97 2refA1 PRO 304 HG3 -0.03 0.00 0.02 -0.04 2.03 1.98 2refA1 PRO 304 HD2 -0.03 0.14 -0.68 -0.04 3.68 3.07 2refA1 PRO 304 HD3 -0.04 0.23 0.02 -0.04 3.65 3.82 2refA1 LEU 305 H 0.01 0.56 -0.42 -0.55 8.37 7.98 2refA1 LEU 305 HA 0.04 0.04 0.45 -0.75 4.35 4.12 2refA1 LEU 305 HB2 0.01 0.30 0.14 -0.04 1.64 2.04 2refA1 LEU 305 HB3 0.01 -0.04 0.04 -0.04 1.64 1.61 2refA1 LEU 305 HG 0.01 -0.03 0.05 -0.04 1.64 1.63 2refA1 LEU 305 HD13 0.01 -0.01 -0.05 -0.04 0.93 0.84 2refA1 LEU 305 HD23 -0.00 -0.01 0.05 -0.04 0.89 0.90 2refA1 LEU 306 H 0.04 0.67 -0.27 -0.55 8.37 8.27 2refA1 LEU 306 HA 0.02 0.07 0.51 -0.75 4.35 4.20 2refA1 LEU 306 HB2 0.05 0.16 0.04 -0.04 1.64 1.86 2refA1 LEU 306 HB3 0.03 -0.17 0.05 -0.04 1.64 1.51 2refA1 LEU 306 HG 0.02 0.03 -0.10 -0.04 1.64 1.55 2refA1 LEU 306 HD13 0.04 -0.00 -0.15 -0.04 0.93 0.78 2refA1 LEU 306 HD23 0.02 -0.00 -0.04 -0.04 0.89 0.82 2refA1 HIS 307 H 0.13 0.28 -0.30 -0.55 8.41 7.98 2refA1 HIS 307 HA 0.01 0.23 0.45 -0.75 4.63 4.57 2refA1 HIS 307 HB2 0.01 -0.05 0.09 -0.04 3.26 3.27 2refA1 HIS 307 HB3 0.01 0.12 0.13 -0.04 3.20 3.42 2refA1 HIS 307 HD2 0.00 -0.00 -0.13 -0.04 6.97 6.79 2refA1 HIS 307 HE1 -0.00 0.05 -0.07 -0.04 7.75 7.68 2refA1 THR 308 H -0.29 0.70 0.43 -0.55 8.28 8.58 2refA1 THR 308 HA -0.36 0.00 0.72 -0.75 4.39 4.00 2refA1 THR 308 HB -0.13 0.00 0.01 -0.04 4.32 4.17 2refA1 THR 308 HG23 -0.08 0.05 -0.05 -0.04 1.22 1.10 2refA1 GLU 309 H -0.21 0.20 0.12 -0.55 8.60 8.16 2refA1 GLU 309 HA -0.05 0.00 0.40 -0.75 4.29 3.88 2refA1 GLU 309 HB2 -0.02 0.00 0.04 -0.04 2.09 2.07 2refA1 GLU 309 HB3 -0.01 0.00 0.11 -0.04 1.99 2.05 2refA1 GLU 309 HG2 -0.07 -0.05 0.13 -0.04 2.34 2.31 2refA1 GLU 309 HG3 -0.05 -0.01 0.02 -0.04 2.34 2.25 2refA1 SER 310 H -0.09 -0.01 -0.27 -0.55 8.46 7.55 2refA1 SER 310 HA -0.03 0.31 0.71 -0.75 4.49 4.73 2refA1 SER 310 HB2 -0.03 0.07 0.10 -0.04 3.95 4.05 2refA1 SER 310 HB3 -0.03 -0.02 -0.02 -0.04 3.93 3.81 2refA1 GLY 311 H -0.07 0.22 -0.49 -0.55 8.43 7.54 2refA1 GLY 311 HA2 -0.03 -0.09 0.19 -0.51 4.01 3.57 2refA1 GLY 311 HA3 -0.03 0.01 -0.05 -0.51 4.01 3.43 2refA1 VAL 312 H -0.01 0.06 0.26 -0.55 8.24 8.00 2refA1 VAL 312 HA -0.01 0.24 0.45 -0.75 4.13 4.05 2refA1 VAL 312 HB -0.01 -0.08 0.25 -0.04 2.12 2.24 2refA1 VAL 312 HG13 -0.01 0.05 0.12 -0.04 0.97 1.08 2refA1 VAL 312 HG23 -0.01 -0.04 0.13 -0.04 0.95 0.99 2refA1 VAL 313 H 0.01 0.46 -0.12 -0.55 8.24 8.03 2refA1 VAL 313 HA 0.01 0.25 1.00 -0.75 4.13 4.64 2refA1 VAL 313 HB 0.02 -0.07 -0.23 -0.04 2.12 1.79 2refA1 VAL 313 HG13 0.02 -0.02 -0.40 -0.04 0.97 0.53 2refA1 VAL 313 HG23 0.00 -0.02 -0.22 -0.04 0.95 0.68 2refA1 VAL 314 H 0.03 0.63 0.38 -0.55 8.24 8.73 2refA1 VAL 314 HA 0.06 0.20 0.92 -0.75 4.13 4.55 2refA1 VAL 314 HB 0.03 -0.04 0.18 -0.04 2.12 2.26 2refA1 VAL 314 HG13 0.08 -0.01 -0.19 -0.04 0.97 0.80 2refA1 VAL 314 HG23 0.03 0.02 -0.09 -0.04 0.95 0.87 2refA1 GLN 315 H 0.07 0.76 0.34 -0.55 8.47 9.10 2refA1 GLN 315 HA 0.06 0.32 1.03 -0.75 4.36 5.02 2refA1 GLN 315 HB2 0.05 -0.07 -0.10 -0.04 2.15 1.99 2refA1 GLN 315 HB3 0.07 -0.03 0.04 -0.04 2.02 2.06 2refA1 GLN 315 HG2 0.07 0.02 -0.48 -0.04 2.40 1.97 2refA1 GLN 315 HG3 0.05 0.01 -0.14 -0.04 2.39 2.27 2refA1 GLN 315 HE21 0.16 -0.02 -0.09 -0.04 6.97 6.97 2refA1 GLN 315 HE22 0.09 0.02 -0.08 -0.04 7.69 7.68 2refA1 LEU 316 H 0.08 0.53 0.25 -0.55 8.37 8.68 2refA1 LEU 316 HA 0.11 0.15 0.86 -0.75 4.35 4.72 2refA1 LEU 316 HB2 0.13 -0.08 0.08 -0.04 1.64 1.73 2refA1 LEU 316 HB3 0.13 0.02 0.05 -0.04 1.64 1.80 2refA1 LEU 316 HG 0.08 0.06 -0.06 -0.04 1.64 1.68 2refA1 LEU 316 HD13 0.02 -0.01 -0.11 -0.04 0.93 0.78 2refA1 LEU 316 HD23 0.07 0.00 -0.15 -0.04 0.89 0.77 2refA1 LEU 317 H 0.15 0.57 0.24 -0.55 8.37 8.79 2refA1 LEU 317 HA 0.09 0.12 0.60 -0.75 4.35 4.40 2refA1 LEU 317 HB2 0.13 -0.04 -0.13 -0.04 1.64 1.56 2refA1 LEU 317 HB3 0.04 -0.04 -0.09 -0.04 1.64 1.52 2refA1 LEU 317 HG 0.08 0.13 -0.19 -0.04 1.64 1.62 2refA1 LEU 317 HD13 0.03 -0.01 -0.23 -0.04 0.93 0.69 2refA1 LEU 317 HD23 0.06 -0.01 -0.14 -0.04 0.89 0.76 2refA1 ALA 318 H 0.22 0.30 0.21 -0.55 8.40 8.58 2refA1 ALA 318 HA 0.21 0.10 0.43 -0.75 4.34 4.32 2refA1 ALA 318 HB3 0.24 0.04 -0.08 -0.04 1.41 1.57 2refA1 VAL 319 H 0.33 0.25 0.13 -0.55 8.24 8.40 2refA1 VAL 319 HA 0.16 0.26 0.94 -0.75 4.13 4.72 2refA1 VAL 319 HB 0.17 -0.04 0.09 -0.04 2.12 2.30 2refA1 VAL 319 HG13 0.08 -0.00 -0.09 -0.04 0.97 0.92 2refA1 VAL 319 HG23 0.23 0.01 -0.14 -0.04 0.95 1.00 2refA1 ASN 320 H 0.09 0.88 0.31 -0.55 8.53 9.26 2refA1 ASN 320 HA 0.07 0.20 1.02 -0.75 4.76 5.28 2refA1 ASN 320 HB2 0.15 -0.05 0.08 -0.04 2.88 3.02 2refA1 ASN 320 HB3 0.11 0.05 -0.13 -0.04 2.79 2.78 2refA1 ASN 320 HD21 0.41 -0.01 -0.15 -0.04 7.03 7.24 2refA1 ASN 320 HD22 0.35 -0.02 -0.19 -0.04 7.74 7.84 2refA1 ILE 321 H -0.11 0.28 0.11 -0.55 8.25 7.99 2refA1 ILE 321 HA -0.04 0.24 0.95 -0.75 4.18 4.57 2refA1 ILE 321 HB -0.13 -0.03 0.02 -0.04 1.89 1.71 2refA1 ILE 321 HG12 -0.07 -0.03 -0.44 -0.04 1.49 0.90 2refA1 ILE 321 HG13 -0.11 -0.20 -0.12 -0.04 1.21 0.73 2refA1 ILE 321 HG23 -0.08 0.02 -0.22 -0.04 0.93 0.61 2refA1 ILE 321 HD13 -0.06 0.05 -0.15 -0.04 0.88 0.68 2refA1 LEU 322 H -0.03 0.67 0.21 -0.55 8.37 8.68 2refA1 LEU 322 HA -0.05 0.12 0.38 -0.75 4.35 4.04 2refA1 LEU 322 HB2 -0.00 0.19 0.24 -0.04 1.64 2.02 2refA1 LEU 322 HB3 -0.01 -0.13 0.11 -0.04 1.64 1.57 2refA1 LEU 322 HG -0.02 -0.05 0.02 -0.04 1.64 1.55 2refA1 LEU 322 HD13 0.00 0.03 0.03 -0.04 0.93 0.95 2refA1 LEU 322 HD23 0.00 -0.00 -0.00 -0.04 0.89 0.85 2refA1 PRO 323 HA -0.10 0.04 0.40 -0.51 4.44 4.27 2refA1 PRO 323 HB2 -0.05 -0.04 0.10 -0.04 2.28 2.25 2refA1 PRO 323 HB3 -0.08 0.02 0.11 -0.04 2.02 2.03 2refA1 PRO 323 HG2 -0.08 0.23 0.12 -0.04 2.03 2.26 2refA1 PRO 323 HG3 -0.15 0.07 0.16 -0.04 2.03 2.07 2refA1 PRO 323 HD2 -0.05 0.03 0.15 -0.04 3.68 3.77 2refA1 PRO 323 HD3 -0.10 0.18 0.11 -0.04 3.65 3.80 2refA1 GLU 324 H -0.03 0.10 -0.21 -0.55 8.60 7.91 2refA1 GLU 324 HA -0.03 0.10 0.43 -0.75 4.29 4.03 2refA1 GLU 324 HB2 -0.01 0.03 0.08 -0.04 2.09 2.15 2refA1 GLU 324 HB3 -0.02 -0.01 0.08 -0.04 1.99 1.99 2refA1 GLU 324 HG2 -0.01 -0.08 -0.05 -0.04 2.34 2.16 2refA1 GLU 324 HG3 -0.01 0.06 -0.22 -0.04 2.34 2.13 2refA1 LEU 325 H -0.03 0.56 -0.37 -0.55 8.37 7.98 2refA1 LEU 325 HA -0.01 0.23 0.78 -0.75 4.35 4.59 2refA1 LEU 325 HB2 -0.00 0.06 0.03 -0.04 1.64 1.69 2refA1 LEU 325 HB3 0.02 -0.09 0.11 -0.04 1.64 1.65 2refA1 LEU 325 HG 0.01 -0.07 -0.15 -0.04 1.64 1.40 2refA1 LEU 325 HD13 0.08 -0.01 -0.05 -0.04 0.93 0.91 2refA1 LEU 325 HD23 0.03 0.04 -0.12 -0.04 0.89 0.80 2refA1 GLN 326 H -0.06 0.39 -0.28 -0.55 8.47 7.98 2refA1 GLN 326 HA -0.09 -0.11 0.55 -0.75 4.36 3.96 2refA1 GLN 326 HB2 -0.08 0.25 0.10 -0.04 2.15 2.37 2refA1 GLN 326 HB3 -0.11 -0.13 0.09 -0.04 2.02 1.83 2refA1 GLN 326 HG2 -0.14 -0.15 -0.05 -0.04 2.40 2.02 2refA1 GLN 326 HG3 -0.11 0.13 -0.29 -0.04 2.39 2.09 2refA1 GLN 326 HE21 -0.26 0.00 0.08 -0.04 6.97 6.75 2refA1 GLN 326 HE22 -0.20 0.33 0.03 -0.04 7.69 7.81 2refA1 ASN 327 H -0.09 0.02 0.16 -0.55 8.53 8.08 2refA1 ASN 327 HA -0.05 -0.07 0.36 -0.75 4.76 4.24 2refA1 ASN 327 HB2 -0.04 0.23 0.09 -0.04 2.88 3.12 2refA1 ASN 327 HB3 -0.04 0.01 0.18 -0.04 2.79 2.90 2refA1 ASN 327 HD21 -0.05 -0.01 -0.07 -0.04 7.03 6.85 2refA1 ASN 327 HD22 -0.05 0.15 -0.21 -0.04 7.74 7.60 2refA1 GLN 328 H -0.06 -0.20 -0.05 -0.55 8.47 7.61 2refA1 GLN 328 HA -0.05 0.27 0.76 -0.75 4.36 4.58 2refA1 GLN 328 HB2 -0.04 0.03 -0.05 -0.04 2.15 2.04 2refA1 GLN 328 HB3 -0.04 -0.03 0.11 -0.04 2.02 2.03 2refA1 GLN 328 HG2 -0.03 0.07 -0.08 -0.04 2.40 2.33 2refA1 GLN 328 HG3 -0.03 0.23 -0.51 -0.04 2.39 2.04 2refA1 GLN 328 HE21 0.01 -0.06 0.01 -0.04 6.97 6.89 2refA1 GLN 328 HE22 -0.01 0.16 -0.02 -0.04 7.69 7.78 2refA1 GLY 329 H -0.05 -0.10 0.12 -0.55 8.43 7.85 2refA1 GLY 329 HA2 -0.01 -0.00 0.29 -0.51 4.01 3.78 2refA1 GLY 329 HA3 -0.05 0.30 0.65 -0.51 4.01 4.40 2refA1 LEU 330 H -0.08 0.03 -0.05 -0.55 8.37 7.72 2refA1 LEU 330 HA -0.16 0.18 0.44 -0.75 4.35 4.06 2refA1 LEU 330 HB2 -0.11 -0.01 0.07 -0.04 1.64 1.55 2refA1 LEU 330 HB3 -0.15 0.04 -0.08 -0.04 1.64 1.41 2refA1 LEU 330 HG -0.16 0.01 -0.11 -0.04 1.64 1.34 2refA1 LEU 330 HD13 -0.06 0.05 -0.07 -0.04 0.93 0.81 2refA1 LEU 330 HD23 -0.63 0.01 -0.10 -0.04 0.89 0.13 2refA1 GLY 331 H -0.09 0.04 -0.00 -0.55 8.43 7.83 2refA1 GLY 331 HA2 -0.02 0.11 0.36 -0.51 4.01 3.95 2refA1 GLY 331 HA3 -0.16 0.05 0.24 -0.51 4.01 3.64 2refA1 ASP 332 H 0.16 -0.02 -0.30 -0.55 8.40 7.70 2refA1 ASP 332 HA 0.25 0.10 0.32 -0.75 4.63 4.54 2refA1 ASP 332 HB2 0.26 -0.04 0.04 -0.04 2.71 2.93 2refA1 ASP 332 HB3 0.10 0.08 0.05 -0.04 2.70 2.89 2refA1 ARG 333 H 0.01 0.48 -0.15 -0.55 8.46 8.25 2refA1 ARG 333 HA 0.01 0.02 0.29 -0.75 4.34 3.91 2refA1 ARG 333 HB2 -0.10 0.05 0.17 -0.04 1.90 1.97 2refA1 ARG 333 HB3 -0.09 -0.02 -0.02 -0.04 1.80 1.63 2refA1 ARG 333 HG2 -0.04 -0.02 0.02 -0.04 1.67 1.59 2refA1 ARG 333 HG3 -0.01 -0.06 0.05 -0.04 1.67 1.60 2refA1 ARG 333 HD2 -0.06 -0.03 0.03 -0.04 3.22 3.11 2refA1 ARG 333 HD3 -0.12 0.02 -0.09 -0.04 3.22 2.99 2refA1 LEU 334 H -0.04 0.59 -0.20 -0.55 8.37 8.17 2refA1 LEU 334 HA -0.08 0.02 0.33 -0.75 4.35 3.87 2refA1 LEU 334 HB2 -0.07 0.16 0.06 -0.04 1.64 1.75 2refA1 LEU 334 HB3 -0.00 0.02 0.01 -0.04 1.64 1.63 2refA1 LEU 334 HG -0.03 -0.01 -0.13 -0.04 1.64 1.43 2refA1 LEU 334 HD13 -0.14 -0.00 -0.13 -0.04 0.93 0.61 2refA1 LEU 334 HD23 -0.04 -0.02 -0.24 -0.04 0.89 0.54 2refA1 LEU 335 H -0.02 0.64 -0.06 -0.55 8.37 8.39 2refA1 LEU 335 HA -0.07 -0.00 0.44 -0.75 4.35 3.96 2refA1 LEU 335 HB2 -0.10 -0.03 0.05 -0.04 1.64 1.52 2refA1 LEU 335 HB3 -0.51 0.10 0.10 -0.04 1.64 1.28 2refA1 LEU 335 HG -0.42 0.01 -0.19 -0.04 1.64 1.00 2refA1 LEU 335 HD13 -0.11 -0.02 -0.05 -0.04 0.93 0.71 2refA1 LEU 335 HD23 -0.97 -0.01 -0.09 -0.04 0.89 -0.21 2refA1 GLU 336 H -0.09 0.58 -0.08 -0.55 8.60 8.47 2refA1 GLU 336 HA -0.06 0.02 0.39 -0.75 4.29 3.89 2refA1 GLU 336 HB2 0.04 0.11 0.13 -0.04 2.09 2.32 2refA1 GLU 336 HB3 0.03 -0.02 -0.06 -0.04 1.99 1.90 2refA1 GLU 336 HG2 0.25 0.01 0.04 -0.04 2.34 2.59 2refA1 GLU 336 HG3 0.10 -0.03 -0.01 -0.04 2.34 2.36 2refA1 PHE 337 H 0.08 0.50 -0.21 -0.55 8.34 8.15 2refA1 PHE 337 HA -0.10 0.02 0.48 -0.75 4.62 4.26 2refA1 PHE 337 HB2 -0.17 0.00 0.08 -0.04 3.15 3.02 2refA1 PHE 337 HB3 -0.24 0.12 0.11 -0.04 3.06 3.01 2refA1 PHE 337 HD2 -0.45 0.01 -0.12 -0.04 7.28 6.68 2refA1 PHE 337 HE2 -1.50 0.01 -0.09 -0.04 7.38 5.76 2refA1 PHE 337 HZ -0.35 0.01 -0.06 -0.04 7.32 6.88 2refA1 MET 338 H 0.00 0.53 -0.10 -0.55 8.47 8.36 2refA1 MET 338 HA -0.10 0.03 0.39 -0.75 4.52 4.08 2refA1 MET 338 HB2 0.05 0.01 0.07 -0.04 2.15 2.24 2refA1 MET 338 HB3 -0.04 0.10 0.17 -0.04 2.03 2.22 2refA1 MET 338 HG2 0.07 -0.05 -0.10 -0.04 2.63 2.51 2refA1 MET 338 HG3 0.03 -0.01 -0.27 -0.04 2.56 2.27 2refA1 MET 338 HE3 0.19 0.04 -0.28 -0.04 2.10 2.02 2refA1 LEU 339 H -0.13 0.67 -0.10 -0.55 8.37 8.26 2refA1 LEU 339 HA -0.13 -0.02 0.33 -0.75 4.35 3.78 2refA1 LEU 339 HB2 -0.16 0.13 0.15 -0.04 1.64 1.72 2refA1 LEU 339 HB3 -0.11 0.00 -0.05 -0.04 1.64 1.44 2refA1 LEU 339 HG -0.31 0.00 -0.04 -0.04 1.64 1.25 2refA1 LEU 339 HD13 -0.56 -0.03 -0.08 -0.04 0.93 0.22 2refA1 LEU 339 HD23 -0.51 0.01 -0.10 -0.04 0.89 0.26 2refA1 GLN 340 H -0.13 0.53 -0.12 -0.55 8.47 8.21 2refA1 GLN 340 HA -0.08 0.02 0.57 -0.75 4.36 4.11 2refA1 GLN 340 HB2 -0.12 0.17 0.18 -0.04 2.15 2.34 2refA1 GLN 340 HB3 -0.13 -0.02 -0.03 -0.04 2.02 1.80 2refA1 GLN 340 HG2 -0.03 -0.02 0.03 -0.04 2.40 2.34 2refA1 GLN 340 HG3 -0.02 -0.03 0.02 -0.04 2.39 2.32 2refA1 GLN 340 HE21 -0.00 -0.06 0.03 -0.04 6.97 6.90 2refA1 GLN 340 HE22 0.02 0.00 0.01 -0.04 7.69 7.68 2refA1 TYR 341 H -0.25 0.61 -0.18 -0.55 8.29 7.91 2refA1 TYR 341 HA -0.25 -0.00 0.52 -0.75 4.56 4.07 2refA1 TYR 341 HB2 -0.95 -0.01 0.06 -0.04 3.06 2.12 2refA1 TYR 341 HB3 -0.29 0.11 0.16 -0.04 2.98 2.92 2refA1 TYR 341 HD2 0.04 -0.02 -0.09 -0.04 7.15 7.05 2refA1 TYR 341 HE2 0.21 0.01 -0.02 -0.04 6.85 7.00 2refA1 CYS 342 H -0.03 0.60 -0.11 -0.55 8.50 8.41 2refA1 CYS 342 HA -0.12 0.02 0.39 -0.75 4.58 4.11 2refA1 CYS 342 HB2 -0.04 0.09 0.04 -0.04 2.97 3.01 2refA1 CYS 342 HB3 -0.02 -0.07 -0.04 -0.04 2.97 2.80 2refA1 ALA 343 H -0.10 0.38 -0.21 -0.55 8.40 7.92 2refA1 ALA 343 HA -0.08 0.03 0.41 -0.75 4.34 3.94 2refA1 ALA 343 HB3 -0.08 0.05 0.11 -0.04 1.41 1.44 2refA1 GLN 344 H -0.17 0.28 -0.47 -0.55 8.47 7.57 2refA1 GLN 344 HA -0.09 0.09 0.39 -0.75 4.36 3.99 2refA1 GLN 344 HB2 -0.13 0.10 0.10 -0.04 2.15 2.19 2refA1 GLN 344 HB3 -0.17 -0.02 0.01 -0.04 2.02 1.81 2refA1 GLN 344 HG2 -0.06 -0.01 0.09 -0.04 2.40 2.38 2refA1 GLN 344 HG3 -0.06 -0.02 0.00 -0.04 2.39 2.28 2refA1 GLN 344 HE21 -0.01 -0.05 0.01 -0.04 6.97 6.88 2refA1 GLN 344 HE22 -0.02 0.00 0.01 -0.04 7.69 7.64 2refA1 ILE 345 H -0.19 0.31 -0.42 -0.55 8.25 7.40 2refA1 ILE 345 HA -0.15 -0.03 0.65 -0.75 4.18 3.89 2refA1 ILE 345 HB -0.11 0.12 0.11 -0.04 1.89 1.96 2refA1 ILE 345 HG12 -0.32 -0.06 -0.01 -0.04 1.49 1.05 2refA1 ILE 345 HG13 -0.46 0.24 0.05 -0.04 1.21 1.00 2refA1 ILE 345 HG23 -0.06 -0.01 -0.13 -0.04 0.93 0.69 2refA1 ILE 345 HD13 -0.05 -0.03 -0.08 -0.04 0.88 0.69 2refA1 SER 346 H -0.06 0.07 0.18 -0.55 8.46 8.10 2refA1 SER 346 HA -0.04 0.10 0.42 -0.75 4.49 4.21 2refA1 SER 346 HB2 -0.04 0.02 0.17 -0.04 3.95 4.06 2refA1 SER 346 HB3 -0.03 -0.03 0.08 -0.04 3.93 3.91 2refA1 GLY 347 H -0.03 0.18 0.14 -0.55 8.43 8.18 2refA1 GLY 347 HA2 -0.02 -0.06 0.34 -0.51 4.01 3.75 2refA1 GLY 347 HA3 -0.02 0.14 0.63 -0.51 4.01 4.25 2refA1 VAL 348 H -0.04 0.33 -0.45 -0.55 8.24 7.54 2refA1 VAL 348 HA -0.02 0.11 0.52 -0.75 4.13 3.99 2refA1 VAL 348 HB -0.05 0.30 0.10 -0.04 2.12 2.43 2refA1 VAL 348 HG13 -0.02 -0.05 -0.16 -0.04 0.97 0.70 2refA1 VAL 348 HG23 -0.02 -0.01 -0.16 -0.04 0.95 0.72 2refA1 GLU 349 H -0.01 0.64 0.48 -0.55 8.60 9.16 2refA1 GLU 349 HA -0.03 0.20 0.93 -0.75 4.29 4.65 2refA1 GLU 349 HB2 -0.01 -0.02 0.11 -0.04 2.09 2.12 2refA1 GLU 349 HB3 -0.02 -0.10 0.12 -0.04 1.99 1.95 2refA1 GLU 349 HG2 -0.02 -0.02 -0.05 -0.04 2.34 2.22 2refA1 GLU 349 HG3 -0.02 0.26 0.02 -0.04 2.34 2.56 2refA1 LYS 350 H -0.01 0.32 0.28 -0.55 8.42 8.46 2refA1 LYS 350 HA 0.00 0.14 0.88 -0.75 4.32 4.59 2refA1 LYS 350 HB2 -0.00 -0.02 -0.32 -0.04 1.87 1.49 2refA1 LYS 350 HB3 0.01 -0.08 -0.07 -0.04 1.79 1.61 2refA1 LYS 350 HG2 0.02 0.03 0.02 -0.04 1.46 1.49 2refA1 LYS 350 HG3 0.00 0.05 0.03 -0.04 1.46 1.50 2refA1 LYS 350 HD2 0.00 -0.06 -0.10 -0.04 1.69 1.49 2refA1 LYS 350 HD3 -0.00 -0.01 -0.06 -0.04 1.68 1.56 2refA1 LYS 350 HE2 -0.01 0.03 -0.04 -0.04 2.99 2.93 2refA1 LYS 350 HE3 -0.00 0.01 -0.08 -0.04 2.99 2.88 2refA1 VAL 351 H 0.06 0.39 0.29 -0.55 8.24 8.43 2refA1 VAL 351 HA 0.05 0.27 1.12 -0.75 4.13 4.82 2refA1 VAL 351 HB 0.10 -0.03 0.13 -0.04 2.12 2.28 2refA1 VAL 351 HG13 0.06 -0.00 -0.16 -0.04 0.97 0.83 2refA1 VAL 351 HG23 -0.00 0.00 -0.13 -0.04 0.95 0.78 2refA1 VAL 352 H 0.06 0.73 0.36 -0.55 8.24 8.85 2refA1 VAL 352 HA 0.06 0.23 1.17 -0.75 4.13 4.83 2refA1 VAL 352 HB -0.02 0.06 0.09 -0.04 2.12 2.21 2refA1 VAL 352 HG13 0.00 -0.04 -0.18 -0.04 0.97 0.72 2refA1 VAL 352 HG23 0.02 -0.02 -0.18 -0.04 0.95 0.74 2refA1 ALA 353 H -0.03 0.69 0.39 -0.55 8.40 8.91 2refA1 ALA 353 HA 0.02 0.26 0.77 -0.75 4.34 4.63 2refA1 ALA 353 HB3 0.02 -0.00 -0.05 -0.04 1.41 1.33 2refA1 VAL 354 H -0.06 0.33 0.13 -0.55 8.24 8.09 2refA1 VAL 354 HA -0.22 0.19 0.99 -0.75 4.13 4.33 2refA1 VAL 354 HB -0.35 0.04 0.18 -0.04 2.12 1.95 2refA1 VAL 354 HG13 -0.99 0.00 -0.12 -0.04 0.97 -0.18 2refA1 VAL 354 HG23 -0.32 -0.01 -0.10 -0.04 0.95 0.48 2refA1 THR 355 H -0.16 0.73 0.24 -0.55 8.28 8.54 2refA1 THR 355 HA 0.01 0.26 0.89 -0.75 4.39 4.81 2refA1 THR 355 HB -0.10 0.03 -0.07 -0.04 4.32 4.14 2refA1 THR 355 HG23 -0.09 0.03 -0.06 -0.04 1.22 1.06 2refA1 LEU 356 H 0.09 0.33 0.19 -0.55 8.37 8.44 2refA1 LEU 356 HA -0.01 0.08 0.57 -0.75 4.35 4.24 2refA1 LEU 356 HB2 0.01 0.00 0.14 -0.04 1.64 1.76 2refA1 LEU 356 HB3 -0.00 0.13 -0.15 -0.04 1.64 1.57 2refA1 LEU 356 HG 0.14 0.02 -0.30 -0.04 1.64 1.45 2refA1 LEU 356 HD13 0.04 0.01 -0.05 -0.04 0.93 0.88 2refA1 LEU 356 HD23 0.15 0.00 -0.04 -0.04 0.89 0.95 2refA1 CYS 357 H 0.03 0.20 0.13 -0.55 8.50 8.31 2refA1 CYS 357 HA 0.11 0.05 0.75 -0.75 4.58 4.73 2refA1 CYS 357 HB2 0.11 0.06 0.05 -0.04 2.97 3.15 2refA1 CYS 357 HB3 0.29 -0.15 0.10 -0.04 2.97 3.16 2refA1 ARG 358 H 0.13 -0.02 0.21 -0.55 8.46 8.22 2refA1 ARG 358 HA 0.07 0.30 0.97 -0.75 4.34 4.92 2refA1 ARG 358 HB2 0.08 -0.01 0.05 -0.04 1.90 1.98 2refA1 ARG 358 HB3 0.07 -0.02 0.08 -0.04 1.80 1.89 2refA1 ARG 358 HG2 0.03 0.02 0.10 -0.04 1.67 1.78 2refA1 ARG 358 HG3 0.04 0.05 0.08 -0.04 1.67 1.80 2refA1 ARG 358 HD2 0.02 -0.01 -0.01 -0.04 3.22 3.18 2refA1 ARG 358 HD3 -0.00 0.05 0.02 -0.04 3.22 3.25 2refA1 ASN 359 H 0.17 -0.06 0.14 -0.55 8.53 8.22 2refA1 ASN 359 HA 0.08 0.33 0.91 -0.75 4.76 5.32 2refA1 ASN 359 HB2 0.23 -0.05 0.09 -0.04 2.88 3.11 2refA1 ASN 359 HB3 0.25 0.06 0.17 -0.04 2.79 3.23 2refA1 ASN 359 HD21 0.09 0.05 0.03 -0.04 7.03 7.16 2refA1 ASN 359 HD22 0.16 0.08 0.05 -0.04 7.74 7.99 2refA1 TYR 360 H 0.11 0.06 -0.19 -0.55 8.29 7.72 2refA1 TYR 360 HA -0.62 0.05 0.31 -0.75 4.56 3.55 2refA1 TYR 360 HB2 -0.25 -0.11 0.05 -0.04 3.06 2.72 2refA1 TYR 360 HB3 -0.14 0.17 0.04 -0.04 2.98 3.01 2refA1 TYR 360 HD2 -0.61 0.14 -0.03 -0.04 7.15 6.61 2refA1 TYR 360 HE2 -0.06 0.10 -0.14 -0.04 6.85 6.70 2refA1 PRO 361 HA -0.20 0.07 0.48 -0.51 4.44 4.29 2refA1 PRO 361 HB2 -0.04 0.06 -0.05 -0.04 2.28 2.21 2refA1 PRO 361 HB3 -0.02 0.04 0.11 -0.04 2.02 2.11 2refA1 PRO 361 HG2 -0.10 0.06 0.02 -0.04 2.03 1.98 2refA1 PRO 361 HG3 -0.12 0.05 0.10 -0.04 2.03 2.02 2refA1 PRO 361 HD2 -0.01 0.06 -0.27 -0.04 3.68 3.42 2refA1 PRO 361 HD3 0.02 0.09 -0.02 -0.04 3.65 3.71 2refA1 ASP 362 H -0.04 0.37 -0.47 -0.55 8.40 7.71 2refA1 ASP 362 HA -0.12 0.13 0.64 -0.75 4.63 4.52 2refA1 ASP 362 HB2 0.09 0.14 0.12 -0.04 2.71 3.02 2refA1 ASP 362 HB3 -0.19 -0.01 0.09 -0.04 2.70 2.54 2refA1 TYR 363 H -0.19 0.49 -0.03 -0.55 8.29 8.00 2refA1 TYR 363 HA -0.14 0.22 0.86 -0.75 4.56 4.75 2refA1 TYR 363 HB2 -0.60 -0.02 0.07 -0.04 3.06 2.47 2refA1 TYR 363 HB3 -0.09 -0.06 0.08 -0.04 2.98 2.87 2refA1 TYR 363 HD2 -0.01 0.05 -0.03 -0.04 7.15 7.12 2refA1 TYR 363 HE2 0.12 -0.00 -0.06 -0.04 6.85 6.87 2refA1 SER 364 H -0.53 0.23 0.00 -0.55 8.46 7.62 2refA1 SER 364 HA -0.29 -0.02 0.50 -0.75 4.49 3.92 2refA1 SER 364 HB2 -0.52 -0.01 0.10 -0.04 3.95 3.48 2refA1 SER 364 HB3 -0.16 0.09 0.03 -0.04 3.93 3.85 2refA1 PRO 365 HA 0.03 0.01 0.29 -0.51 4.44 4.26 2refA1 PRO 365 HB2 0.05 -0.01 0.17 -0.04 2.28 2.45 2refA1 PRO 365 HB3 0.03 0.01 0.07 -0.04 2.02 2.10 2refA1 PRO 365 HG2 0.02 0.01 0.01 -0.04 2.03 2.03 2refA1 PRO 365 HG3 0.01 0.02 0.05 -0.04 2.03 2.08 2refA1 PRO 365 HD2 -0.01 0.07 0.03 -0.04 3.68 3.73 2refA1 PRO 365 HD3 -0.02 0.18 0.49 -0.04 3.65 4.26 2refA1 MET 366 H 0.00 0.69 0.27 -0.55 8.47 8.88 2refA1 MET 366 HA 0.10 0.07 0.58 -0.75 4.52 4.51 2refA1 MET 366 HB2 0.12 0.11 0.15 -0.04 2.15 2.48 2refA1 MET 366 HB3 0.17 -0.07 0.01 -0.04 2.03 2.10 2refA1 MET 366 HG2 0.18 0.03 -0.12 -0.04 2.63 2.67 2refA1 MET 366 HG3 0.14 0.01 0.03 -0.04 2.56 2.69 2refA1 MET 366 HE3 0.28 0.03 -0.00 -0.04 2.10 2.37 2refA1 PRO 367 HA 0.11 0.09 0.44 -0.51 4.44 4.57 2refA1 PRO 367 HB2 0.08 -0.18 0.07 -0.04 2.28 2.20 2refA1 PRO 367 HB3 0.06 0.05 0.12 -0.04 2.02 2.21 2refA1 PRO 367 HG2 0.07 0.05 0.11 -0.04 2.03 2.21 2refA1 PRO 367 HG3 0.07 0.13 0.13 -0.04 2.03 2.32 2refA1 PRO 367 HD2 0.10 0.05 0.22 -0.04 3.68 4.02 2refA1 PRO 367 HD3 0.08 0.29 0.31 -0.04 3.65 4.29 2refA1 MET 368 H -0.02 0.21 0.17 -0.55 8.47 8.29 2refA1 MET 368 HA 0.02 0.00 0.38 -0.75 4.52 4.17 2refA1 MET 368 HB2 -0.48 0.00 0.10 -0.04 2.15 1.73 2refA1 MET 368 HB3 -0.15 0.00 0.05 -0.04 2.03 1.88 2refA1 MET 368 HG2 -0.10 -0.03 -0.09 -0.04 2.63 2.37 2refA1 MET 368 HG3 -0.22 -0.04 0.03 -0.04 2.56 2.30 2refA1 MET 368 HE3 -0.74 -0.00 0.00 -0.04 2.10 1.32 2refA1 ALA 369 H 0.01 0.15 -0.16 -0.55 8.40 7.85 2refA1 ALA 369 HA -0.01 0.10 0.35 -0.75 4.34 4.03 2refA1 ALA 369 HB3 0.03 0.04 0.03 -0.04 1.41 1.47 2refA1 GLU 370 H 0.09 0.16 -0.45 -0.55 8.60 7.85 2refA1 GLU 370 HA 0.11 0.00 0.64 -0.75 4.29 4.29 2refA1 GLU 370 HB2 0.12 0.00 0.04 -0.04 2.09 2.20 2refA1 GLU 370 HB3 0.09 0.00 -0.00 -0.04 1.99 2.04 2refA1 GLU 370 HG2 0.07 -0.14 -0.09 -0.04 2.34 2.14 2refA1 GLU 370 HG3 0.07 0.00 0.01 -0.04 2.34 2.38 2refA1 TYR 371 H 0.19 0.36 -0.05 -0.55 8.29 8.25 2refA1 TYR 371 HA -0.01 0.08 0.37 -0.75 4.56 4.24 2refA1 TYR 371 HB2 0.16 0.11 -0.03 -0.04 3.06 3.26 2refA1 TYR 371 HB3 0.02 -0.06 0.12 -0.04 2.98 3.01 2refA1 TYR 371 HD2 -0.21 0.04 -0.06 -0.04 7.15 6.88 2refA1 TYR 371 HE2 -0.97 -0.03 -0.08 -0.04 6.85 5.73 2refA1 ILE 372 H -0.07 0.54 -0.20 -0.55 8.25 7.97 2refA1 ILE 372 HA -0.40 -0.02 0.36 -0.75 4.18 3.37 2refA1 ILE 372 HB -0.29 -0.02 0.04 -0.04 1.89 1.58 2refA1 ILE 372 HG12 -0.20 0.11 -0.06 -0.04 1.49 1.30 2refA1 ILE 372 HG13 -0.78 0.11 -0.34 -0.04 1.21 0.16 2refA1 ILE 372 HG23 -0.08 0.01 -0.06 -0.04 0.93 0.75 2refA1 ILE 372 HD13 -0.18 -0.02 -0.19 -0.04 0.88 0.44 2refA1 HIS 373 H -0.11 0.31 -0.72 -0.55 8.41 7.34 2refA1 HIS 373 HA -0.08 0.17 0.79 -0.75 4.63 4.76 2refA1 HIS 373 HB2 -0.03 0.05 0.01 -0.04 3.26 3.25 2refA1 HIS 373 HB3 -0.04 -0.02 0.11 -0.04 3.20 3.21 2refA1 HIS 373 HD2 -0.02 0.16 0.00 -0.04 6.97 7.07 2refA1 HIS 373 HE1 -0.05 0.15 -0.06 -0.04 7.75 7.75 2refA1 GLN 374 H -0.16 0.31 -0.07 -0.55 8.47 8.00 2refA1 GLN 374 HA -0.00 0.05 0.49 -0.75 4.36 4.14 2refA1 GLN 374 HB2 -0.05 0.01 0.17 -0.04 2.15 2.24 2refA1 GLN 374 HB3 -0.30 -0.03 0.25 -0.04 2.02 1.91 2refA1 GLN 374 HG2 0.01 -0.08 -0.03 -0.04 2.40 2.26 2refA1 GLN 374 HG3 0.02 0.13 -0.17 -0.04 2.39 2.33 2refA1 GLN 374 HE21 0.14 -0.01 -0.01 -0.04 6.97 7.05 2refA1 GLN 374 HE22 0.17 0.00 -0.03 -0.04 7.69 7.80 2refA1 LYS 375 H 0.00 0.19 0.23 -0.55 8.42 8.29 2refA1 LYS 375 HA -0.03 0.09 0.61 -0.75 4.32 4.24 2refA1 LYS 375 HB2 0.00 0.01 0.04 -0.04 1.87 1.88 2refA1 LYS 375 HB3 -0.00 -0.08 -0.22 -0.04 1.79 1.45 2refA1 LYS 375 HG2 -0.00 0.23 -0.36 -0.04 1.46 1.29 2refA1 LYS 375 HG3 -0.01 -0.09 -0.48 -0.04 1.46 0.83 2refA1 LYS 375 HD2 0.01 0.34 -0.03 -0.04 1.69 1.98 2refA1 LYS 375 HD3 0.00 -0.05 -0.02 -0.04 1.68 1.58 2refA1 LYS 375 HE2 -0.00 -0.03 -0.01 -0.04 2.99 2.91 2refA1 LYS 375 HE3 0.00 0.02 -0.06 -0.04 2.99 2.92 2refA1 ASN 376 H 0.00 0.73 0.10 -0.55 8.53 8.82 2refA1 ASN 376 HA 0.03 0.26 0.97 -0.75 4.76 5.26 2refA1 ASN 376 HB2 0.03 0.01 0.17 -0.04 2.88 3.04 2refA1 ASN 376 HB3 0.03 0.03 0.02 -0.04 2.79 2.83 2refA1 ASN 376 HD21 0.02 -0.00 -0.13 -0.04 7.03 6.87 2refA1 ASN 376 HD22 0.03 0.01 -0.11 -0.04 7.74 7.62 2refA1 GLU 377 H 0.01 0.10 0.11 -0.55 8.60 8.28 2refA1 GLU 377 HA 0.01 0.19 -0.17 -0.75 4.29 3.56 2refA1 GLU 377 HB2 0.01 -0.03 0.17 -0.04 2.09 2.21 2refA1 GLU 377 HB3 0.01 0.04 0.04 -0.04 1.99 2.04 2refA1 GLU 377 HG2 0.02 -0.02 -0.01 -0.04 2.34 2.28 2refA1 GLU 377 HG3 0.01 0.02 0.02 -0.04 2.34 2.35 2refA1 SER 378 H 0.00 0.17 0.05 -0.55 8.46 8.14 2refA1 SER 378 HA 0.00 0.12 0.32 -0.75 4.49 4.18 2refA1 SER 378 HB2 0.01 0.05 0.19 -0.04 3.95 4.16 2refA1 SER 378 HB3 0.01 -0.23 0.08 -0.04 3.93 3.75 2refA1 GLY 379 H 0.00 0.32 -0.77 -0.55 8.43 7.44 2refA1 GLY 379 HA2 -0.00 0.11 0.09 -0.51 4.01 3.70 2refA1 GLY 379 HA3 -0.00 0.09 0.17 -0.51 4.01 3.76 2refA1 LEU 380 H -0.00 -0.08 -0.49 -0.55 8.37 7.25 2refA1 LEU 380 HA -0.01 0.21 0.74 -0.75 4.35 4.53 2refA1 LEU 380 HB2 0.00 -0.12 -0.06 -0.04 1.64 1.42 2refA1 LEU 380 HB3 0.00 0.08 -0.13 -0.04 1.64 1.56 2refA1 LEU 380 HG -0.00 -0.00 -0.01 -0.04 1.64 1.59 2refA1 LEU 380 HD13 -0.01 0.07 -0.13 -0.04 0.93 0.82 2refA1 LEU 380 HD23 -0.00 -0.01 -0.05 -0.04 0.89 0.79 2refA1 LEU 381 H -0.01 0.12 0.06 -0.55 8.37 7.99 2refA1 LEU 381 HA -0.06 0.25 0.35 -0.75 4.35 4.13 2refA1 LEU 381 HB2 -0.03 -0.11 -0.02 -0.04 1.64 1.44 2refA1 LEU 381 HB3 -0.12 -0.07 -0.05 -0.04 1.64 1.37 2refA1 LEU 381 HG -0.03 0.01 -0.04 -0.04 1.64 1.54 2refA1 LEU 381 HD13 -0.05 -0.01 -0.14 -0.04 0.93 0.69 2refA1 LEU 381 HD23 -0.06 0.04 -0.28 -0.04 0.89 0.55 2refA1 VAL 382 H -0.13 0.69 0.25 -0.55 8.24 8.50 2refA1 VAL 382 HA -0.00 0.07 0.29 -0.75 4.13 3.73 2refA1 VAL 382 HB 0.08 -0.02 0.01 -0.04 2.12 2.14 2refA1 VAL 382 HG13 0.03 0.03 -0.25 -0.04 0.97 0.74 2refA1 VAL 382 HG23 -0.33 0.02 -0.04 -0.04 0.95 0.57 2refA1 ASP 383 H -0.23 0.12 -0.13 -0.55 8.40 7.62 2refA1 ASP 383 HA 0.06 0.19 0.71 -0.75 4.63 4.83 2refA1 ASP 383 HB2 -0.19 0.12 0.07 -0.04 2.71 2.67 2refA1 ASP 383 HB3 -0.10 -0.01 0.12 -0.04 2.70 2.67 2refA1 PRO 384 HA 0.05 0.15 0.30 -0.51 4.44 4.43 2refA1 PRO 384 HB2 0.02 0.04 -0.01 -0.04 2.28 2.30 2refA1 PRO 384 HB3 0.03 0.11 0.11 -0.04 2.02 2.23 2refA1 PRO 384 HG2 0.05 -0.05 0.11 -0.04 2.03 2.10 2refA1 PRO 384 HG3 0.05 0.13 0.10 -0.04 2.03 2.27 2refA1 PRO 384 HD2 0.09 -0.15 0.30 -0.04 3.68 3.88 2refA1 PRO 384 HD3 0.07 0.41 0.32 -0.04 3.65 4.41 2refA1 LEU 385 H 0.08 -0.01 -0.13 -0.55 8.37 7.76 2refA1 LEU 385 HA 0.13 0.16 0.62 -0.75 4.35 4.51 2refA1 LEU 385 HB2 0.13 -0.05 0.16 -0.04 1.64 1.84 2refA1 LEU 385 HB3 0.20 0.08 0.08 -0.04 1.64 1.95 2refA1 LEU 385 HG 0.08 -0.14 0.01 -0.04 1.64 1.55 2refA1 LEU 385 HD13 0.19 0.00 -0.22 -0.04 0.93 0.87 2refA1 LEU 385 HD23 0.04 0.02 -0.02 -0.04 0.89 0.89 2refA1 LEU 386 H 0.08 0.04 -0.19 -0.55 8.37 7.74 2refA1 LEU 386 HA 0.16 0.12 0.54 -0.75 4.35 4.41 2refA1 LEU 386 HB2 -0.04 0.06 0.06 -0.04 1.64 1.68 2refA1 LEU 386 HB3 -0.03 0.08 -0.02 -0.04 1.64 1.63 2refA1 LEU 386 HG -0.01 -0.16 -0.02 -0.04 1.64 1.41 2refA1 LEU 386 HD13 -0.18 0.03 -0.02 -0.04 0.93 0.72 2refA1 LEU 386 HD23 -0.01 0.01 -0.17 -0.04 0.89 0.68 2refA1 ARG 387 H 0.05 0.63 -0.05 -0.55 8.46 8.54 2refA1 ARG 387 HA 0.04 -0.03 0.40 -0.75 4.34 3.99 2refA1 ARG 387 HB2 0.03 0.25 -0.02 -0.04 1.90 2.12 2refA1 ARG 387 HB3 0.08 0.06 0.01 -0.04 1.80 1.91 2refA1 ARG 387 HG2 0.04 -0.04 -0.11 -0.04 1.67 1.53 2refA1 ARG 387 HG3 0.02 -0.09 -0.00 -0.04 1.67 1.55 2refA1 ARG 387 HD2 0.05 -0.02 -0.08 -0.04 3.22 3.13 2refA1 ARG 387 HD3 0.02 -0.03 -0.08 -0.04 3.22 3.09 2refA1 PHE 388 H 0.23 0.30 -0.51 -0.55 8.34 7.80 2refA1 PHE 388 HA 0.06 0.01 0.25 -0.75 4.62 4.18 2refA1 PHE 388 HB2 -0.00 0.04 0.10 -0.04 3.15 3.25 2refA1 PHE 388 HB3 -0.06 0.19 0.07 -0.04 3.06 3.22 2refA1 PHE 388 HD2 -0.16 0.03 -0.06 -0.04 7.28 7.04 2refA1 PHE 388 HE2 -0.08 -0.06 -0.17 -0.04 7.38 7.03 2refA1 PHE 388 HZ -0.17 0.10 -0.36 -0.04 7.32 6.85 2refA1 HIS 389 H 0.17 0.28 -0.31 -0.55 8.41 7.99 2refA1 HIS 389 HA -0.05 0.09 0.56 -0.75 4.63 4.48 2refA1 HIS 389 HB2 0.00 0.09 0.11 -0.04 3.26 3.43 2refA1 HIS 389 HB3 -0.07 -0.04 -0.06 -0.04 3.20 2.99 2refA1 HIS 389 HD2 0.16 0.16 0.04 -0.04 6.97 7.29 2refA1 HIS 389 HE1 0.18 0.01 -0.13 -0.04 7.75 7.77 2refA1 GLN 390 H 0.09 0.58 -0.01 -0.55 8.47 8.59 2refA1 GLN 390 HA -0.01 0.17 0.36 -0.75 4.36 4.13 2refA1 GLN 390 HB2 0.01 -0.02 0.08 -0.04 2.15 2.17 2refA1 GLN 390 HB3 0.02 0.03 0.21 -0.04 2.02 2.23 2refA1 GLN 390 HG2 -0.01 0.02 -0.20 -0.04 2.40 2.17 2refA1 GLN 390 HG3 -0.01 0.08 0.07 -0.04 2.39 2.48 2refA1 GLN 390 HE21 -0.01 0.21 0.15 -0.04 6.97 7.28 2refA1 GLN 390 HE22 -0.01 0.03 0.03 -0.04 7.69 7.70 2refA1 ILE 391 H 0.00 0.59 -0.22 -0.55 8.25 8.08 2refA1 ILE 391 HA -0.06 0.07 0.29 -0.75 4.18 3.73 2refA1 ILE 391 HB -0.13 -0.02 0.13 -0.04 1.89 1.82 2refA1 ILE 391 HG12 -0.01 0.18 -0.02 -0.04 1.49 1.60 2refA1 ILE 391 HG13 -0.39 0.05 -0.24 -0.04 1.21 0.59 2refA1 ILE 391 HG23 -0.02 0.02 0.00 -0.04 0.93 0.89 2refA1 ILE 391 HD13 -0.00 -0.04 -0.06 -0.04 0.88 0.73 2refA1 HIS 392 H 0.07 0.44 -0.58 -0.55 8.41 7.79 2refA1 HIS 392 HA -0.00 0.14 0.82 -0.75 4.63 4.83 2refA1 HIS 392 HB2 -0.00 0.10 0.09 -0.04 3.26 3.40 2refA1 HIS 392 HB3 -0.01 -0.05 0.13 -0.04 3.20 3.22 2refA1 HIS 392 HD2 -0.07 -0.01 0.02 -0.04 6.97 6.86 2refA1 HIS 392 HE1 -0.10 -0.15 -0.04 -0.04 7.75 7.41 2refA1 GLY 393 H 0.06 0.51 -0.06 -0.55 8.43 8.40 2refA1 GLY 393 HA2 0.04 0.01 0.30 -0.51 4.01 3.85 2refA1 GLY 393 HA3 0.15 0.08 0.62 -0.51 4.01 4.35 2refA1 ALA 394 H -0.01 0.32 -0.06 -0.55 8.40 8.11 2refA1 ALA 394 HA -0.64 0.27 0.65 -0.75 4.34 3.86 2refA1 ALA 394 HB3 -0.47 -0.06 -0.25 -0.04 1.41 0.58 2refA1 LYS 395 H -0.24 0.59 0.37 -0.55 8.42 8.59 2refA1 LYS 395 HA -0.06 0.12 0.81 -0.75 4.32 4.44 2refA1 LYS 395 HB2 -0.06 0.05 0.08 -0.04 1.87 1.90 2refA1 LYS 395 HB3 -0.09 -0.07 0.17 -0.04 1.79 1.76 2refA1 LYS 395 HG2 -0.03 0.04 -0.32 -0.04 1.46 1.11 2refA1 LYS 395 HG3 -0.03 0.02 0.01 -0.04 1.46 1.43 2refA1 LYS 395 HD2 -0.03 0.01 -0.01 -0.04 1.69 1.62 2refA1 LYS 395 HD3 -0.03 -0.06 -0.05 -0.04 1.68 1.50 2refA1 LYS 395 HE2 -0.02 0.04 -0.02 -0.04 2.99 2.95 2refA1 LYS 395 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.89 2refA1 ILE 396 H -0.03 0.19 0.08 -0.55 8.25 7.95 2refA1 ILE 396 HA -0.10 0.05 0.69 -0.75 4.18 4.07 2refA1 ILE 396 HB 0.05 0.03 0.13 -0.04 1.89 2.06 2refA1 ILE 396 HG12 -0.04 0.02 0.03 -0.04 1.49 1.45 2refA1 ILE 396 HG13 -0.12 0.13 0.03 -0.04 1.21 1.21 2refA1 ILE 396 HG23 -0.20 0.01 -0.21 -0.04 0.93 0.48 2refA1 ILE 396 HD13 -0.09 -0.03 -0.13 -0.04 0.88 0.60 2refA1 GLU 397 H -0.07 0.75 0.44 -0.55 8.60 9.18 2refA1 GLU 397 HA -0.01 0.10 0.51 -0.75 4.29 4.13 2refA1 GLU 397 HB2 -0.06 0.05 0.08 -0.04 2.09 2.12 2refA1 GLU 397 HB3 -0.03 -0.05 -0.06 -0.04 1.99 1.81 2refA1 GLU 397 HG2 -0.07 0.07 -0.09 -0.04 2.34 2.21 2refA1 GLU 397 HG3 -0.05 -0.05 -0.18 -0.04 2.34 2.02 2refA1 LYS 398 H -0.06 0.33 0.27 -0.55 8.42 8.41 2refA1 LYS 398 HA -0.00 0.08 0.45 -0.75 4.32 4.09 2refA1 LYS 398 HB2 -0.01 -0.05 0.16 -0.04 1.87 1.93 2refA1 LYS 398 HB3 -0.00 0.20 -0.03 -0.04 1.79 1.92 2refA1 LYS 398 HG2 -0.03 -0.03 -0.27 -0.04 1.46 1.10 2refA1 LYS 398 HG3 -0.04 -0.09 -0.25 -0.04 1.46 1.04 2refA1 LYS 398 HD2 -0.02 0.22 -0.05 -0.04 1.69 1.80 2refA1 LYS 398 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.58 2refA1 LYS 398 HE2 -0.02 -0.02 -0.11 -0.04 2.99 2.80 2refA1 LYS 398 HE3 -0.02 -0.01 -0.10 -0.04 2.99 2.81 2refA1 LEU 399 H -0.03 0.13 0.16 -0.55 8.37 8.09 2refA1 LEU 399 HA -0.07 0.17 0.83 -0.75 4.35 4.53 2refA1 LEU 399 HB2 -0.03 -0.01 0.13 -0.04 1.64 1.69 2refA1 LEU 399 HB3 -0.04 0.00 -0.01 -0.04 1.64 1.55 2refA1 LEU 399 HG -0.06 0.01 -0.09 -0.04 1.64 1.46 2refA1 LEU 399 HD13 -0.04 -0.04 -0.09 -0.04 0.93 0.71 2refA1 LEU 399 HD23 -0.09 0.01 -0.12 -0.04 0.89 0.65 2refA1 LEU 400 H -0.07 0.83 0.20 -0.55 8.37 8.79 2refA1 LEU 400 HA -0.01 0.25 0.85 -0.75 4.35 4.68 2refA1 LEU 400 HB2 -0.16 -0.13 0.08 -0.04 1.64 1.39 2refA1 LEU 400 HB3 0.02 0.11 0.09 -0.04 1.64 1.82 2refA1 LEU 400 HG -0.10 -0.05 -0.40 -0.04 1.64 1.05 2refA1 LEU 400 HD13 -0.22 0.01 -0.13 -0.04 0.93 0.55 2refA1 LEU 400 HD23 -0.01 0.06 -0.10 -0.04 0.89 0.81 2refA1 PRO 401 HA 0.01 -0.05 0.44 -0.51 4.44 4.33 2refA1 PRO 401 HB2 0.02 0.07 0.00 -0.04 2.28 2.33 2refA1 PRO 401 HB3 0.01 0.05 0.07 -0.04 2.02 2.12 2refA1 PRO 401 HG2 0.00 0.08 0.04 -0.04 2.03 2.11 2refA1 PRO 401 HG3 -0.01 -0.02 0.02 -0.04 2.03 1.99 2refA1 PRO 401 HD2 0.01 0.14 0.12 -0.04 3.68 3.91 2refA1 PRO 401 HD3 -0.01 0.17 -0.39 -0.04 3.65 3.38 2refA1 GLY 402 H 0.03 0.14 -0.04 -0.55 8.43 8.01 2refA1 GLY 402 HA2 0.03 -0.01 0.23 -0.51 4.01 3.74 2refA1 GLY 402 HA3 0.03 0.10 0.26 -0.51 4.01 3.89 2refA1 TYR 403 H 0.14 0.19 -0.38 -0.55 8.29 7.69 2refA1 TYR 403 HA -0.02 0.30 0.65 -0.75 4.56 4.74 2refA1 TYR 403 HB2 -0.03 0.10 0.14 -0.04 3.06 3.23 2refA1 TYR 403 HB3 -0.04 -0.09 0.16 -0.04 2.98 2.97 2refA1 TYR 403 HD2 -0.04 0.10 -0.08 -0.04 7.15 7.09 2refA1 TYR 403 HE2 -0.04 0.04 -0.05 -0.04 6.85 6.76 2refA1 ARG 404 H 0.10 0.58 -0.05 -0.55 8.46 8.54 2refA1 ARG 404 HA -0.07 0.17 0.99 -0.75 4.34 4.69 2refA1 ARG 404 HB2 0.04 0.02 0.02 -0.04 1.90 1.94 2refA1 ARG 404 HB3 -0.01 -0.07 0.06 -0.04 1.80 1.74 2refA1 ARG 404 HG2 -0.04 0.04 -0.01 -0.04 1.67 1.62 2refA1 ARG 404 HG3 0.26 -0.03 -0.28 -0.04 1.67 1.58 2refA1 ARG 404 HD2 -0.01 -0.05 -0.07 -0.04 3.22 3.05 2refA1 ARG 404 HD3 -0.09 0.03 -0.03 -0.04 3.22 3.09 2refA1 PRO 405 HA 0.02 0.04 0.36 -0.51 4.44 4.36 2refA1 PRO 405 HB2 -0.00 -0.00 0.05 -0.04 2.28 2.29 2refA1 PRO 405 HB3 0.01 0.04 0.07 -0.04 2.02 2.09 2refA1 PRO 405 HG2 -0.04 -0.01 0.09 -0.04 2.03 2.03 2refA1 PRO 405 HG3 -0.02 0.14 0.07 -0.04 2.03 2.18 2refA1 PRO 405 HD2 -0.07 0.03 0.19 -0.04 3.68 3.78 2refA1 PRO 405 HD3 -0.07 0.40 -0.35 -0.04 3.65 3.59 2refA1 LYS 406 H 0.01 0.14 -0.28 -0.55 8.42 7.74 2refA1 LYS 406 HA 0.09 0.13 0.47 -0.75 4.32 4.26 2refA1 LYS 406 HB2 0.04 0.22 0.10 -0.04 1.87 2.19 2refA1 LYS 406 HB3 0.08 -0.05 0.18 -0.04 1.79 1.96 2refA1 LYS 406 HG2 0.03 -0.01 -0.08 -0.04 1.46 1.36 2refA1 LYS 406 HG3 0.01 -0.00 0.03 -0.04 1.46 1.45 2refA1 LYS 406 HD2 0.04 -0.03 0.03 -0.04 1.69 1.68 2refA1 LYS 406 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.64 2refA1 LYS 406 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.91 2refA1 LYS 406 HE3 0.01 0.13 0.03 -0.04 2.99 3.12 2refA1 ASP 407 H 0.04 0.57 -0.44 -0.55 8.40 8.03 2refA1 ASP 407 HA -0.03 0.13 0.72 -0.75 4.63 4.69 2refA1 ASP 407 HB2 -0.02 0.09 -0.02 -0.04 2.71 2.71 2refA1 ASP 407 HB3 -0.01 0.08 0.14 -0.04 2.70 2.87 2refA1 TRP 408 H 0.18 0.38 0.07 -0.55 7.97 8.05 2refA1 TRP 408 HA 0.03 0.06 0.22 -0.75 4.62 4.17 2refA1 TRP 408 HB2 0.03 0.04 0.06 -0.04 3.23 3.32 2refA1 TRP 408 HB3 0.02 0.09 0.06 -0.04 3.23 3.36 2refA1 TRP 408 HD1 0.03 0.17 0.13 -0.04 7.22 7.51 2refA1 TRP 408 HE1 0.03 0.01 0.06 -0.04 10.20 10.26 2refA1 TRP 408 HE3 0.04 -0.00 -0.25 -0.04 7.59 7.33 2refA1 TRP 408 HZ2 0.03 0.01 0.02 -0.04 7.44 7.46 2refA1 TRP 408 HZ3 0.02 0.03 -0.03 -0.04 7.13 7.12 2refA1 TRP 408 HH2 0.02 0.03 0.00 -0.04 7.19 7.21 2refA1 GLU 409 H -1.08 0.11 -0.14 -0.55 8.60 6.94 2refA1 GLU 409 HA -0.44 0.14 0.50 -0.75 4.29 3.73 2refA1 GLU 409 HB2 -0.56 -0.02 0.04 -0.04 2.09 1.51 2refA1 GLU 409 HB3 -0.33 0.01 -0.02 -0.04 1.99 1.62 2refA1 GLU 409 HG2 -1.05 0.04 0.06 -0.04 2.34 1.35 2refA1 GLU 409 HG3 -2.30 -0.04 0.05 -0.04 2.34 0.01 2refA1 ASN 410 H -0.14 0.27 -0.32 -0.55 8.53 7.79 2refA1 ASN 410 HA -0.06 0.17 0.85 -0.75 4.76 4.97 2refA1 ASN 410 HB2 -0.05 0.07 0.06 -0.04 2.88 2.91 2refA1 ASN 410 HB3 -0.07 0.07 0.21 -0.04 2.79 2.96 2refA1 ASN 410 HD21 0.01 0.40 0.07 -0.04 7.03 7.46 2refA1 ASN 410 HD22 -0.03 0.03 0.01 -0.04 7.74 7.71 2refA1 GLN 411 H 0.05 0.43 -0.46 -0.55 8.47 7.94 2refA1 GLN 411 HA 0.10 0.10 0.31 -0.75 4.36 4.12 2refA1 GLN 411 HB2 -0.03 0.01 -0.02 -0.04 2.15 2.07 2refA1 GLN 411 HB3 0.04 -0.01 0.21 -0.04 2.02 2.22 2refA1 GLN 411 HG2 0.13 0.07 0.05 -0.04 2.40 2.61 2refA1 GLN 411 HG3 0.14 0.03 -0.14 -0.04 2.39 2.37 2refA1 GLN 411 HE21 0.19 -0.00 -0.03 -0.04 6.97 7.09 2refA1 GLN 411 HE22 0.29 0.05 -0.03 -0.04 7.69 7.95 2refA1 THR 412 H 0.03 0.55 -0.25 -0.55 8.28 8.06 2refA1 THR 412 HA 0.03 0.19 0.22 -0.75 4.39 4.08 2refA1 THR 412 HB 0.03 -0.09 -0.26 -0.04 4.32 3.97 2refA1 THR 412 HG23 0.06 0.03 -0.25 -0.04 1.22 1.02 2refA1 CYS 413 H -0.02 0.57 -0.61 -0.55 8.50 7.90 2refA1 CYS 413 HA 0.01 0.00 0.39 -0.75 4.58 4.23 2refA1 CYS 413 HB2 -0.09 0.00 0.12 -0.04 2.97 2.97 2refA1 CYS 413 HB3 -0.06 0.00 -0.08 -0.04 2.97 2.78 2refA1 GLY 414 H 0.00 0.62 0.32 -0.55 8.43 8.83 2refA1 GLY 414 HA2 -0.06 0.26 0.92 -0.51 4.01 4.62 2refA1 GLY 414 HA3 -0.18 0.08 0.38 -0.51 4.01 3.79 2refA1 VAL 415 H -0.14 0.63 0.07 -0.55 8.24 8.25 2refA1 VAL 415 HA -0.12 0.19 1.02 -0.75 4.13 4.47 2refA1 VAL 415 HB -0.09 -0.09 -0.12 -0.04 2.12 1.78 2refA1 VAL 415 HG13 -0.12 0.02 -0.22 -0.04 0.97 0.61 2refA1 VAL 415 HG23 -0.07 -0.01 -0.29 -0.04 0.95 0.53 2refA1 LEU 416 H -0.12 0.63 0.25 -0.55 8.37 8.58 2refA1 LEU 416 HA -0.16 0.22 0.87 -0.75 4.35 4.53 2refA1 LEU 416 HB2 -0.12 0.00 -0.02 -0.04 1.64 1.45 2refA1 LEU 416 HB3 -0.09 -0.05 0.13 -0.04 1.64 1.59 2refA1 LEU 416 HG -0.08 0.01 -0.30 -0.04 1.64 1.24 2refA1 LEU 416 HD13 -0.08 0.03 -0.09 -0.04 0.93 0.75 2refA1 LEU 416 HD23 -0.05 -0.01 -0.12 -0.04 0.89 0.67 2refA1 VAL 417 H -0.16 0.80 0.52 -0.55 8.24 8.85 2refA1 VAL 417 HA -0.15 0.24 1.14 -0.75 4.13 4.61 2refA1 VAL 417 HB -0.28 0.05 -0.03 -0.04 2.12 1.82 2refA1 VAL 417 HG13 -0.19 -0.02 -0.22 -0.04 0.97 0.50 2refA1 VAL 417 HG23 -0.40 0.02 -0.06 -0.04 0.95 0.48 2refA1 SER 418 H -0.19 0.51 0.38 -0.55 8.46 8.61 2refA1 SER 418 HA -0.05 0.26 1.17 -0.75 4.49 5.12 2refA1 SER 418 HB2 -0.02 0.05 0.08 -0.04 3.95 4.02 2refA1 SER 418 HB3 -0.05 -0.04 -0.09 -0.04 3.93 3.71 2refA1 TYR 419 H 0.12 0.69 0.38 -0.55 8.29 8.94 2refA1 TYR 419 HA 0.01 0.22 0.98 -0.75 4.56 5.02 2refA1 TYR 419 HB2 -0.00 -0.04 0.11 -0.04 3.06 3.09 2refA1 TYR 419 HB3 0.00 0.10 -0.11 -0.04 2.98 2.93 2refA1 TYR 419 HD2 0.03 0.09 -0.25 -0.04 7.15 6.98 2refA1 TYR 419 HE2 0.07 -0.00 -0.29 -0.04 6.85 6.59 2refA1 ASP 420 H 0.09 0.27 0.17 -0.55 8.40 8.39 2refA1 ASP 420 HA -0.00 0.07 0.76 -0.75 4.63 4.71 2refA1 ASP 420 HB2 0.04 0.03 0.15 -0.04 2.71 2.89 2refA1 ASP 420 HB3 0.11 0.05 0.21 -0.04 2.70 3.02 2refA1 ILE 421 H -0.08 0.25 0.22 -0.55 8.25 8.10 2refA1 ILE 421 HA -0.32 0.21 0.96 -0.75 4.18 4.28 2refA1 ILE 421 HB -0.11 0.05 0.10 -0.04 1.89 1.89 2refA1 ILE 421 HG12 -0.04 -0.08 -0.11 -0.04 1.49 1.22 2refA1 ILE 421 HG13 -0.07 0.06 -0.16 -0.04 1.21 0.99 2refA1 ILE 421 HG23 -0.04 0.01 -0.21 -0.04 0.93 0.65 2refA1 ILE 421 HD13 -0.05 0.01 -0.33 -0.04 0.88 0.47 2refA1 GLN 422 H -0.18 0.02 -0.03 -0.55 8.47 7.73 2refA1 GLN 422 HA -0.09 0.18 0.31 -0.75 4.36 4.02 2refA1 GLN 422 HB2 -0.04 -0.07 0.08 -0.04 2.15 2.08 2refA1 GLN 422 HB3 -0.02 0.03 0.05 -0.04 2.02 2.04 2refA1 GLN 422 HG2 -0.03 0.04 0.08 -0.04 2.40 2.45 2refA1 GLN 422 HG3 -0.05 0.03 0.11 -0.04 2.39 2.44 2refA1 GLN 422 HE21 -0.01 -0.03 0.06 -0.04 6.97 6.95 2refA1 GLN 422 HE22 -0.02 0.12 0.12 -0.04 7.69 7.86 2refA1 HIS 423 H -0.65 -0.01 -0.43 -0.55 8.41 6.78 2refA1 HIS 423 HA -0.00 0.15 0.60 -0.75 4.63 4.62 2refA1 HIS 423 HB2 -0.00 0.00 -0.03 -0.04 3.26 3.19 2refA1 HIS 423 HB3 0.00 -0.04 -0.01 -0.04 3.20 3.12 2refA1 HIS 423 HD2 0.01 -0.06 -0.04 -0.04 6.97 6.83 2refA1 HIS 423 HE1 0.02 0.03 0.00 -0.04 7.75 7.76 2refA1 ARG 424 H -0.23 0.10 -0.24 -0.55 8.46 7.54 2refA1 ARG 424 HA 0.11 0.05 0.13 -0.75 4.34 3.88 2refA1 ARG 424 HB2 -0.08 0.15 0.09 -0.04 1.90 2.02 2refA1 ARG 424 HB3 -0.01 0.01 0.06 -0.04 1.80 1.82 2refA1 ARG 424 HG2 0.17 -0.02 -0.04 -0.04 1.67 1.74 2refA1 ARG 424 HG3 -0.00 -0.04 0.01 -0.04 1.67 1.60 2refA1 ARG 424 HD2 -0.04 0.11 -0.15 -0.04 3.22 3.10 2refA1 ARG 424 HD3 0.01 -0.03 -0.10 -0.04 3.22 3.06