============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 -9.960 9.344 7.567 -99.200 -91.000 TYR 12 0.840 9.374 10.467 9.139 -99.200 -91.000 HIS 19 0.900 20.690 10.830 -11.320 -99.200 -91.000 PHE 21 1.000 22.307 4.665 -20.741 -99.200 -91.000 HIS 32 0.900 13.526 3.652 -24.205 -99.200 -91.000 HIS 41 0.900 13.950 18.984 -11.473 -99.200 -91.000 PHE 51 1.000 3.918 9.143 -3.975 -99.200 -91.000 HIS 55 0.900 0.375 20.364 0.923 -99.200 -91.000 PHE 56 1.000 5.148 12.527 1.800 -99.200 -91.000 HIS 61 0.900 17.898 5.773 0.752 -99.200 -91.000 TYR 70 0.840 20.343 -8.657 -1.086 -99.200 -91.000 TYR 76 0.840 11.251 -1.105 4.646 -99.200 -91.000 HIS 81 0.900 7.466 3.227 11.244 -99.200 -91.000 PHE 87 1.000 5.463 1.275 5.707 -99.200 -91.000 HIS 94 0.900 14.028 -6.046 -7.549 -99.200 -91.000 TYR 101 0.840 26.468 -11.199 -13.511 -99.200 -91.000 TYR 111 0.840 7.980 -14.866 -5.206 -99.200 -91.000 PHE 117 1.000 7.359 -5.786 6.915 -99.200 -91.000 PHE 132 1.000 6.498 -3.209 -5.794 -99.200 -91.000 PHE 133 1.000 1.306 3.399 -5.284 -99.200 -91.000 TYR 142 0.840 7.357 -6.201 -32.848 -99.200 -91.000 TYR 157 0.840 29.399 -11.395 -24.587 -99.200 -91.000 TYR 169 0.840 5.932 -9.775 -7.122 -99.200 -91.000 PHE 176 1.000 0.222 -8.703 -1.359 -99.200 -91.000 TRP 187 1.040 -1.536 -2.384 -21.530 -99.200 -91.000 TRP6 187 1.020 -1.112 -3.792 -19.631 -99.200 -91.000 TYR 188 0.840 -8.276 1.474 -20.497 -99.200 -91.000 PHE 218 1.000 -8.647 -5.000 -4.197 -99.200 -91.000 PHE 226 1.000 -1.524 5.530 1.103 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k7zA4 LYS 224 H 0.03 0.14 0.14 -0.55 8.42 8.17 2k7zA4 LYS 224 HA 0.03 -0.05 0.19 -0.75 4.32 3.73 2k7zA4 LYS 224 HB2 0.02 0.02 0.07 -0.04 1.87 1.94 2k7zA4 LYS 224 HB3 0.02 0.00 -0.00 -0.04 1.79 1.77 2k7zA4 LYS 224 HG2 0.03 -0.05 0.10 -0.04 1.46 1.49 2k7zA4 LYS 224 HG3 0.03 0.00 0.17 -0.04 1.46 1.61 2k7zA4 LYS 224 HD2 0.02 0.05 0.07 -0.04 1.69 1.79 2k7zA4 LYS 224 HD3 0.02 0.01 0.05 -0.04 1.68 1.72 2k7zA4 LYS 224 HE2 0.02 0.00 0.02 -0.04 2.99 2.99 2k7zA4 LYS 224 HE3 0.02 -0.00 0.01 -0.04 2.99 2.98 2k7zA4 VAL 225 H 0.04 0.31 0.12 -0.55 8.24 8.16 2k7zA4 VAL 225 HA 0.04 0.26 0.61 -0.75 4.13 4.28 2k7zA4 VAL 225 HB 0.04 0.10 0.05 -0.04 2.12 2.26 2k7zA4 VAL 225 HG13 0.04 -0.00 -0.14 -0.04 0.97 0.83 2k7zA4 VAL 225 HG23 0.08 -0.01 -0.02 -0.04 0.95 0.96 2k7zA4 TYR 226 H 0.06 0.13 0.17 -0.55 8.29 8.10 2k7zA4 TYR 226 HA -0.03 -0.03 0.35 -0.75 4.56 4.10 2k7zA4 TYR 226 HB2 -0.01 -0.03 -0.08 -0.04 3.06 2.90 2k7zA4 TYR 226 HB3 -0.01 0.13 0.09 -0.04 2.98 3.14 2k7zA4 TYR 226 HD2 -0.02 -0.02 -0.14 -0.04 7.15 6.93 2k7zA4 TYR 226 HE2 -0.02 0.08 -0.09 -0.04 6.85 6.78 2k7zA4 GLN 227 H 0.03 0.06 -0.03 -0.55 8.47 7.98 2k7zA4 GLN 227 HA 0.06 0.24 0.69 -0.75 4.36 4.60 2k7zA4 GLN 227 HB2 0.02 -0.02 -0.04 -0.04 2.15 2.07 2k7zA4 GLN 227 HB3 -0.01 0.02 0.00 -0.04 2.02 2.00 2k7zA4 GLN 227 HG2 0.01 -0.02 0.10 -0.04 2.40 2.46 2k7zA4 GLN 227 HG3 0.02 0.03 0.10 -0.04 2.39 2.50 2k7zA4 GLN 227 HE21 0.02 -0.01 0.03 -0.04 6.97 6.97 2k7zA4 GLN 227 HE22 0.02 0.03 0.02 -0.04 7.69 7.71 2k7zA4 MET 228 H -0.01 0.01 -0.20 -0.55 8.47 7.72 2k7zA4 MET 228 HA -0.06 0.05 0.36 -0.75 4.52 4.11 2k7zA4 MET 228 HB2 -0.24 0.03 0.09 -0.04 2.15 1.99 2k7zA4 MET 228 HB3 -0.18 -0.03 0.10 -0.04 2.03 1.88 2k7zA4 MET 228 HG2 -0.12 0.02 0.02 -0.04 2.63 2.51 2k7zA4 MET 228 HG3 -0.20 -0.00 -0.00 -0.04 2.56 2.31 2k7zA4 MET 228 HE3 -0.85 0.02 0.01 -0.04 2.10 1.23 2k7zA4 LYS 229 H 0.04 0.69 -0.15 -0.55 8.42 8.46 2k7zA4 LYS 229 HA 0.07 0.13 0.68 -0.75 4.32 4.45 2k7zA4 LYS 229 HB2 0.01 -0.02 0.13 -0.04 1.87 1.95 2k7zA4 LYS 229 HB3 0.04 -0.01 -0.03 -0.04 1.79 1.75 2k7zA4 LYS 229 HG2 0.03 0.11 0.02 -0.04 1.46 1.57 2k7zA4 LYS 229 HG3 0.02 -0.02 -0.09 -0.04 1.46 1.33 2k7zA4 LYS 229 HD2 0.01 -0.02 0.02 -0.04 1.69 1.65 2k7zA4 LYS 229 HD3 -0.00 -0.04 0.02 -0.04 1.68 1.62 2k7zA4 LYS 229 HE2 0.06 -0.05 -0.02 -0.04 2.99 2.94 2k7zA4 LYS 229 HE3 0.03 -0.03 0.10 -0.04 2.99 3.05 2k7zA4 SER 230 H 0.01 -0.10 -0.17 -0.55 8.46 7.64 2k7zA4 SER 230 HA 0.01 0.09 0.55 -0.75 4.49 4.38 2k7zA4 SER 230 HB2 -0.02 -0.05 0.03 -0.04 3.95 3.86 2k7zA4 SER 230 HB3 -0.01 -0.01 0.17 -0.04 3.93 4.04 2k7zA4 LYS 231 H -0.00 0.04 0.12 -0.55 8.42 8.03 2k7zA4 LYS 231 HA 0.01 0.16 0.63 -0.75 4.32 4.36 2k7zA4 LYS 231 HB2 0.02 -0.00 0.09 -0.04 1.87 1.94 2k7zA4 LYS 231 HB3 0.01 -0.07 0.10 -0.04 1.79 1.80 2k7zA4 LYS 231 HG2 -0.01 0.37 -0.20 -0.04 1.46 1.58 2k7zA4 LYS 231 HG3 0.02 -0.08 -0.02 -0.04 1.46 1.34 2k7zA4 LYS 231 HD2 -0.04 -0.07 0.02 -0.04 1.69 1.56 2k7zA4 LYS 231 HD3 -0.03 -0.01 -0.07 -0.04 1.68 1.52 2k7zA4 LYS 231 HE2 0.02 -0.01 0.08 -0.04 2.99 3.04 2k7zA4 LYS 231 HE3 0.02 -0.03 -0.08 -0.04 2.99 2.86 2k7zA4 PRO 232 HA 0.02 0.08 0.45 -0.51 4.44 4.47 2k7zA4 PRO 232 HB2 0.08 0.02 0.22 -0.04 2.28 2.56 2k7zA4 PRO 232 HB3 0.05 0.15 0.14 -0.04 2.02 2.32 2k7zA4 PRO 232 HG2 0.04 -0.02 -0.01 -0.04 2.03 1.99 2k7zA4 PRO 232 HG3 0.04 0.03 0.09 -0.04 2.03 2.15 2k7zA4 PRO 232 HD2 0.02 0.01 0.19 -0.04 3.68 3.86 2k7zA4 PRO 232 HD3 0.02 0.26 0.18 -0.04 3.65 4.07 2k7zA4 ARG 233 H 0.12 0.30 0.21 -0.55 8.46 8.55 2k7zA4 ARG 233 HA 0.10 -0.13 0.45 -0.75 4.34 4.00 2k7zA4 ARG 233 HB2 0.05 0.14 -0.08 -0.04 1.90 1.97 2k7zA4 ARG 233 HB3 0.10 -0.04 0.23 -0.04 1.80 2.05 2k7zA4 ARG 233 HG2 0.06 -0.03 -0.01 -0.04 1.67 1.65 2k7zA4 ARG 233 HG3 0.07 -0.02 0.01 -0.04 1.67 1.69 2k7zA4 ARG 233 HD2 0.06 0.00 -0.02 -0.04 3.22 3.22 2k7zA4 ARG 233 HD3 0.08 0.03 -0.00 -0.04 3.22 3.28 2k7zA4 GLY 234 H 0.11 0.00 -0.22 -0.55 8.43 7.78 2k7zA4 GLY 234 HA2 -0.53 0.13 0.42 -0.51 4.01 3.52 2k7zA4 GLY 234 HA3 0.00 0.01 0.22 -0.51 4.01 3.74 2k7zA4 TYR 235 H -0.31 0.16 0.06 -0.55 8.29 7.65 2k7zA4 TYR 235 HA -0.04 0.26 0.88 -0.75 4.56 4.91 2k7zA4 TYR 235 HB2 -0.11 -0.02 0.16 -0.04 3.06 3.05 2k7zA4 TYR 235 HB3 -0.07 0.01 0.05 -0.04 2.98 2.92 2k7zA4 TYR 235 HD2 -0.13 0.01 -0.11 -0.04 7.15 6.88 2k7zA4 TYR 235 HE2 -0.06 -0.00 0.01 -0.04 6.85 6.76 2k7zA4 CYS 236 H 0.18 0.33 0.10 -0.55 8.50 8.56 2k7zA4 CYS 236 HA 0.15 0.05 0.68 -0.75 4.58 4.70 2k7zA4 CYS 236 HB2 -0.01 -0.02 0.02 -0.04 2.97 2.93 2k7zA4 CYS 236 HB3 0.35 0.02 0.04 -0.04 2.97 3.33 2k7zA4 LEU 237 H 0.07 0.45 0.25 -0.55 8.37 8.60 2k7zA4 LEU 237 HA 0.10 0.18 0.88 -0.75 4.35 4.76 2k7zA4 LEU 237 HB2 0.12 0.16 0.30 -0.04 1.64 2.17 2k7zA4 LEU 237 HB3 0.13 -0.12 0.09 -0.04 1.64 1.70 2k7zA4 LEU 237 HG 0.12 -0.03 -0.04 -0.04 1.64 1.65 2k7zA4 LEU 237 HD13 0.13 0.01 -0.01 -0.04 0.93 1.02 2k7zA4 LEU 237 HD23 -0.09 0.05 -0.22 -0.04 0.89 0.59 2k7zA4 ILE 238 H 0.10 0.35 0.10 -0.55 8.25 8.25 2k7zA4 ILE 238 HA 0.09 0.16 0.84 -0.75 4.18 4.51 2k7zA4 ILE 238 HB 0.07 -0.04 -0.05 -0.04 1.89 1.83 2k7zA4 ILE 238 HG12 0.05 0.06 -0.15 -0.04 1.49 1.41 2k7zA4 ILE 238 HG13 0.02 -0.07 -0.38 -0.04 1.21 0.74 2k7zA4 ILE 238 HG23 0.09 0.01 -0.15 -0.04 0.93 0.84 2k7zA4 ILE 238 HD13 0.13 0.01 -0.19 -0.04 0.88 0.79 2k7zA4 ILE 239 H 0.08 0.31 0.17 -0.55 8.25 8.26 2k7zA4 ILE 239 HA 0.11 0.16 0.86 -0.75 4.18 4.55 2k7zA4 ILE 239 HB 0.04 -0.10 0.09 -0.04 1.89 1.89 2k7zA4 ILE 239 HG12 -0.02 -0.02 -0.09 -0.04 1.49 1.32 2k7zA4 ILE 239 HG13 0.03 0.12 -0.26 -0.04 1.21 1.06 2k7zA4 ILE 239 HG23 0.03 0.02 -0.16 -0.04 0.93 0.79 2k7zA4 ILE 239 HD13 0.05 -0.03 -0.25 -0.04 0.88 0.60 2k7zA4 ASN 240 H 0.05 0.72 0.13 -0.55 8.53 8.89 2k7zA4 ASN 240 HA 0.03 0.14 0.77 -0.75 4.76 4.94 2k7zA4 ASN 240 HB2 0.00 -0.04 -0.07 -0.04 2.88 2.73 2k7zA4 ASN 240 HB3 -0.05 0.24 0.01 -0.04 2.79 2.94 2k7zA4 ASN 240 HD21 0.05 0.02 0.05 -0.04 7.03 7.11 2k7zA4 ASN 240 HD22 -0.02 0.04 -0.09 -0.04 7.74 7.62 2k7zA4 ASN 241 H 0.03 0.31 0.11 -0.55 8.53 8.42 2k7zA4 ASN 241 HA 0.00 -0.03 0.63 -0.75 4.76 4.62 2k7zA4 ASN 241 HB2 0.06 0.11 -0.01 -0.04 2.88 3.00 2k7zA4 ASN 241 HB3 0.07 -0.11 -0.02 -0.04 2.79 2.69 2k7zA4 ASN 241 HD21 0.05 -0.14 -0.05 -0.04 7.03 6.84 2k7zA4 ASN 241 HD22 0.04 0.19 -0.21 -0.04 7.74 7.72 2k7zA4 HIS 242 H 0.10 0.11 0.10 -0.55 8.41 8.18 2k7zA4 HIS 242 HA 0.04 0.26 0.70 -0.75 4.63 4.87 2k7zA4 HIS 242 HB2 0.03 -0.04 0.06 -0.04 3.26 3.28 2k7zA4 HIS 242 HB3 0.02 0.03 0.17 -0.04 3.20 3.38 2k7zA4 HIS 242 HD2 0.03 0.24 -0.12 -0.04 6.97 7.07 2k7zA4 HIS 242 HE1 0.01 0.03 -0.10 -0.04 7.75 7.64 2k7zA4 ASN 243 H 0.13 0.09 -0.07 -0.55 8.53 8.13 2k7zA4 ASN 243 HA 0.11 0.11 0.75 -0.75 4.76 4.98 2k7zA4 ASN 243 HB2 0.07 0.05 0.05 -0.04 2.88 3.01 2k7zA4 ASN 243 HB3 0.06 -0.15 0.00 -0.04 2.79 2.67 2k7zA4 ASN 243 HD21 0.06 -0.03 0.05 -0.04 7.03 7.07 2k7zA4 ASN 243 HD22 0.05 0.09 -0.03 -0.04 7.74 7.81 2k7zA4 PHE 244 H 0.18 0.17 0.22 -0.55 8.34 8.35 2k7zA4 PHE 244 HA 0.01 0.22 0.77 -0.75 4.62 4.86 2k7zA4 PHE 244 HB2 0.00 0.07 -0.14 -0.04 3.15 3.04 2k7zA4 PHE 244 HB3 -0.00 0.02 0.08 -0.04 3.06 3.12 2k7zA4 PHE 244 HD2 0.00 0.06 0.04 -0.04 7.28 7.34 2k7zA4 PHE 244 HE2 0.00 0.20 0.08 -0.04 7.38 7.62 2k7zA4 PHE 244 HZ 0.00 0.05 0.05 -0.04 7.32 7.38 2k7zA4 ALA 245 H 0.06 0.02 0.15 -0.55 8.40 8.08 2k7zA4 ALA 245 HA -0.02 0.18 0.37 -0.75 4.34 4.12 2k7zA4 ALA 245 HB3 0.01 0.02 0.12 -0.04 1.41 1.51 2k7zA4 LYS 246 H -0.05 -0.03 -0.21 -0.55 8.42 7.57 2k7zA4 LYS 246 HA -0.11 0.37 0.72 -0.75 4.32 4.55 2k7zA4 LYS 246 HB2 -0.04 -0.05 -0.06 -0.04 1.87 1.68 2k7zA4 LYS 246 HB3 -0.04 -0.31 0.16 -0.04 1.79 1.55 2k7zA4 LYS 246 HG2 -0.08 -0.01 0.01 -0.04 1.46 1.34 2k7zA4 LYS 246 HG3 -0.10 0.19 0.11 -0.04 1.46 1.61 2k7zA4 LYS 246 HD2 -0.05 -0.16 -0.06 -0.04 1.69 1.38 2k7zA4 LYS 246 HD3 -0.13 0.14 0.09 -0.04 1.68 1.73 2k7zA4 LYS 246 HE2 -0.07 0.16 0.03 -0.04 2.99 3.07 2k7zA4 LYS 246 HE3 -0.06 -0.06 -0.00 -0.04 2.99 2.83 2k7zA4 ALA 247 H -0.22 0.21 -0.33 -0.55 8.40 7.51 2k7zA4 ALA 247 HA -0.07 0.13 0.65 -0.75 4.34 4.30 2k7zA4 ALA 247 HB3 -0.11 0.06 0.04 -0.04 1.41 1.36 2k7zA4 ARG 248 H -0.38 0.08 -0.09 -0.55 8.46 7.52 2k7zA4 ARG 248 HA -0.32 0.08 0.36 -0.75 4.34 3.70 2k7zA4 ARG 248 HB2 -0.18 0.04 0.07 -0.04 1.90 1.78 2k7zA4 ARG 248 HB3 -0.46 0.07 0.13 -0.04 1.80 1.50 2k7zA4 ARG 248 HG2 -0.18 -0.12 0.03 -0.04 1.67 1.35 2k7zA4 ARG 248 HG3 -0.13 0.02 0.07 -0.04 1.67 1.59 2k7zA4 ARG 248 HD2 -0.15 0.10 0.08 -0.04 3.22 3.22 2k7zA4 ARG 248 HD3 -0.09 0.01 0.07 -0.04 3.22 3.17 2k7zA4 GLU 249 H -0.07 0.27 0.26 -0.55 8.60 8.50 2k7zA4 GLU 249 HA -0.04 0.03 0.30 -0.75 4.29 3.82 2k7zA4 GLU 249 HB2 -0.06 -0.06 -0.25 -0.04 2.09 1.68 2k7zA4 GLU 249 HB3 -0.07 0.11 0.06 -0.04 1.99 2.05 2k7zA4 GLU 249 HG2 -0.05 -0.02 0.03 -0.04 2.34 2.26 2k7zA4 GLU 249 HG3 -0.06 0.00 -0.03 -0.04 2.34 2.21 2k7zA4 LYS 250 H -0.09 0.27 -1.26 -0.55 8.42 6.79 2k7zA4 LYS 250 HA -0.04 -0.00 0.28 -0.75 4.32 3.80 2k7zA4 LYS 250 HB2 -0.07 -0.07 -0.20 -0.04 1.87 1.49 2k7zA4 LYS 250 HB3 -0.04 0.03 0.07 -0.04 1.79 1.81 2k7zA4 LYS 250 HG2 -0.07 0.14 0.06 -0.04 1.46 1.54 2k7zA4 LYS 250 HG3 -0.08 -0.05 -0.03 -0.04 1.46 1.26 2k7zA4 LYS 250 HD2 -0.12 -0.02 -0.34 -0.04 1.69 1.17 2k7zA4 LYS 250 HD3 -0.10 -0.06 -0.09 -0.04 1.68 1.39 2k7zA4 LYS 250 HE2 -0.11 0.02 -0.02 -0.04 2.99 2.84 2k7zA4 LYS 250 HE3 -0.11 -0.02 -0.00 -0.04 2.99 2.82 2k7zA4 VAL 251 H -0.02 0.30 -0.43 -0.55 8.24 7.54 2k7zA4 VAL 251 HA 0.01 0.18 0.82 -0.75 4.13 4.39 2k7zA4 VAL 251 HB 0.03 -0.03 0.05 -0.04 2.12 2.12 2k7zA4 VAL 251 HG13 0.03 -0.05 -0.07 -0.04 0.97 0.84 2k7zA4 VAL 251 HG23 0.01 0.04 -0.17 -0.04 0.95 0.80 2k7zA4 PRO 252 HA 0.03 0.11 0.35 -0.51 4.44 4.42 2k7zA4 PRO 252 HB2 -0.02 0.08 0.01 -0.04 2.28 2.31 2k7zA4 PRO 252 HB3 -0.03 0.08 0.08 -0.04 2.02 2.10 2k7zA4 PRO 252 HG2 -0.00 -0.00 0.10 -0.04 2.03 2.09 2k7zA4 PRO 252 HG3 -0.02 0.10 0.05 -0.04 2.03 2.12 2k7zA4 PRO 252 HD2 0.01 0.07 0.19 -0.04 3.68 3.91 2k7zA4 PRO 252 HD3 -0.00 0.22 0.08 -0.04 3.65 3.91 2k7zA4 LYS 253 H 0.03 0.16 -0.09 -0.55 8.42 7.96 2k7zA4 LYS 253 HA 0.04 0.11 0.48 -0.75 4.32 4.21 2k7zA4 LYS 253 HB2 0.03 0.02 0.13 -0.04 1.87 2.01 2k7zA4 LYS 253 HB3 0.02 0.10 0.07 -0.04 1.79 1.93 2k7zA4 LYS 253 HG2 0.02 -0.03 -0.03 -0.04 1.46 1.38 2k7zA4 LYS 253 HG3 0.04 -0.01 -0.23 -0.04 1.46 1.22 2k7zA4 LYS 253 HD2 0.03 -0.03 -0.02 -0.04 1.69 1.62 2k7zA4 LYS 253 HD3 0.02 0.14 -0.06 -0.04 1.68 1.73 2k7zA4 LYS 253 HE2 0.05 -0.02 -0.16 -0.04 2.99 2.82 2k7zA4 LYS 253 HE3 0.05 -0.04 -0.10 -0.04 2.99 2.86 2k7zA4 LEU 254 H 0.07 0.27 -0.71 -0.55 8.37 7.46 2k7zA4 LEU 254 HA 0.10 0.14 0.74 -0.75 4.35 4.58 2k7zA4 LEU 254 HB2 0.08 0.10 0.06 -0.04 1.64 1.84 2k7zA4 LEU 254 HB3 0.16 -0.01 0.14 -0.04 1.64 1.88 2k7zA4 LEU 254 HG 0.06 -0.08 -0.22 -0.04 1.64 1.36 2k7zA4 LEU 254 HD13 0.06 0.01 -0.06 -0.04 0.93 0.89 2k7zA4 LEU 254 HD23 0.09 0.04 -0.09 -0.04 0.89 0.89 2k7zA4 HIS 255 H 0.16 0.34 -0.14 -0.55 8.41 8.22 2k7zA4 HIS 255 HA 0.13 0.11 0.76 -0.75 4.63 4.88 2k7zA4 HIS 255 HB2 0.03 -0.06 0.11 -0.04 3.26 3.31 2k7zA4 HIS 255 HB3 0.02 0.22 0.25 -0.04 3.20 3.64 2k7zA4 HIS 255 HD2 -0.00 0.02 0.00 -0.04 6.97 6.95 2k7zA4 HIS 255 HE1 0.01 -0.02 -0.05 -0.04 7.75 7.64 2k7zA4 SER 256 H -0.03 0.16 -0.00 -0.55 8.46 8.04 2k7zA4 SER 256 HA -0.42 0.08 0.37 -0.75 4.49 3.76 2k7zA4 SER 256 HB2 -0.07 -0.00 0.08 -0.04 3.95 3.92 2k7zA4 SER 256 HB3 -0.04 -0.00 0.09 -0.04 3.93 3.93 2k7zA4 ILE 257 H -0.05 0.09 -0.65 -0.55 8.25 7.10 2k7zA4 ILE 257 HA -0.07 0.09 0.74 -0.75 4.18 4.19 2k7zA4 ILE 257 HB 0.00 -0.03 -0.03 -0.04 1.89 1.79 2k7zA4 ILE 257 HG12 -0.05 0.04 0.03 -0.04 1.49 1.46 2k7zA4 ILE 257 HG13 0.03 -0.10 0.01 -0.04 1.21 1.11 2k7zA4 ILE 257 HG23 0.05 0.03 0.01 -0.04 0.93 0.98 2k7zA4 ILE 257 HD13 0.02 0.00 -0.34 -0.04 0.88 0.52 2k7zA4 ARG 258 H -0.13 0.20 0.10 -0.55 8.46 8.07 2k7zA4 ARG 258 HA -0.48 0.16 0.76 -0.75 4.34 4.03 2k7zA4 ARG 258 HB2 -0.20 0.09 0.01 -0.04 1.90 1.76 2k7zA4 ARG 258 HB3 -0.34 -0.16 0.05 -0.04 1.80 1.31 2k7zA4 ARG 258 HG2 -0.32 0.12 -0.06 -0.04 1.67 1.37 2k7zA4 ARG 258 HG3 -0.17 0.05 -0.20 -0.04 1.67 1.30 2k7zA4 ARG 258 HD2 -0.12 0.03 -0.03 -0.04 3.22 3.06 2k7zA4 ARG 258 HD3 -0.16 -0.01 -0.02 -0.04 3.22 2.99 2k7zA4 ASP 259 H -0.56 0.11 0.09 -0.55 8.40 7.49 2k7zA4 ASP 259 HA -0.17 0.10 0.44 -0.75 4.63 4.25 2k7zA4 ASP 259 HB2 -0.07 0.02 0.02 -0.04 2.71 2.64 2k7zA4 ASP 259 HB3 -0.05 0.00 0.03 -0.04 2.70 2.65 2k7zA4 ARG 260 H -0.21 0.02 -0.01 -0.55 8.46 7.70 2k7zA4 ARG 260 HA -0.10 -0.00 0.42 -0.75 4.34 3.90 2k7zA4 ARG 260 HB2 -0.12 -0.02 0.10 -0.04 1.90 1.83 2k7zA4 ARG 260 HB3 -0.12 0.05 0.01 -0.04 1.80 1.70 2k7zA4 ARG 260 HG2 -0.07 0.04 -0.02 -0.04 1.67 1.58 2k7zA4 ARG 260 HG3 -0.07 0.01 -0.02 -0.04 1.67 1.54 2k7zA4 ARG 260 HD2 -0.05 -0.01 0.03 -0.04 3.22 3.15 2k7zA4 ARG 260 HD3 -0.04 0.04 0.02 -0.04 3.22 3.19 2k7zA4 ASN 261 H -0.09 0.08 0.19 -0.55 8.53 8.17 2k7zA4 ASN 261 HA -0.08 0.02 0.32 -0.75 4.76 4.26 2k7zA4 ASN 261 HB2 -0.07 -0.06 -0.11 -0.04 2.88 2.60 2k7zA4 ASN 261 HB3 -0.08 0.15 0.17 -0.04 2.79 2.98 2k7zA4 ASN 261 HD21 -0.08 -0.00 0.11 -0.04 7.03 7.02 2k7zA4 ASN 261 HD22 -0.07 -0.02 -0.00 -0.04 7.74 7.61 2k7zA4 GLY 262 H -0.13 0.06 -0.00 -0.55 8.43 7.80 2k7zA4 GLY 262 HA2 -0.27 0.08 0.38 -0.51 4.01 3.69 2k7zA4 GLY 262 HA3 -0.24 -0.03 0.35 -0.51 4.01 3.58 2k7zA4 THR 263 H -0.12 0.19 0.31 -0.55 8.28 8.11 2k7zA4 THR 263 HA -0.16 0.18 0.85 -0.75 4.39 4.51 2k7zA4 THR 263 HB -0.10 0.23 0.04 -0.04 4.32 4.45 2k7zA4 THR 263 HG23 -0.04 -0.01 0.07 -0.04 1.22 1.20 2k7zA4 HIS 264 H -0.33 0.26 0.16 -0.55 8.41 7.96 2k7zA4 HIS 264 HA 0.06 0.06 0.64 -0.75 4.63 4.64 2k7zA4 HIS 264 HB2 0.04 -0.07 0.20 -0.04 3.26 3.40 2k7zA4 HIS 264 HB3 0.04 0.10 0.09 -0.04 3.20 3.39 2k7zA4 HIS 264 HD2 0.01 0.00 -0.25 -0.04 6.97 6.69 2k7zA4 HIS 264 HE1 0.01 0.05 0.00 -0.04 7.75 7.77 2k7zA4 LEU 265 H 0.10 0.12 -0.41 -0.55 8.37 7.64 2k7zA4 LEU 265 HA 0.10 0.11 0.39 -0.75 4.35 4.19 2k7zA4 LEU 265 HB2 0.03 0.01 0.04 -0.04 1.64 1.67 2k7zA4 LEU 265 HB3 0.03 0.09 0.01 -0.04 1.64 1.73 2k7zA4 LEU 265 HG 0.08 -0.10 0.02 -0.04 1.64 1.60 2k7zA4 LEU 265 HD13 0.00 0.03 0.02 -0.04 0.93 0.93 2k7zA4 LEU 265 HD23 0.06 0.02 0.00 -0.04 0.89 0.93 2k7zA4 ASP 266 H 0.08 0.08 -0.32 -0.55 8.40 7.69 2k7zA4 ASP 266 HA 0.04 0.23 0.73 -0.75 4.63 4.87 2k7zA4 ASP 266 HB2 0.04 0.03 0.04 -0.04 2.71 2.78 2k7zA4 ASP 266 HB3 0.08 -0.07 0.15 -0.04 2.70 2.82 2k7zA4 ALA 267 H 0.11 0.13 0.06 -0.55 8.40 8.15 2k7zA4 ALA 267 HA 0.08 0.13 0.32 -0.75 4.34 4.12 2k7zA4 ALA 267 HB3 0.09 0.02 0.06 -0.04 1.41 1.53 2k7zA4 GLY 268 H 0.11 0.16 0.04 -0.55 8.43 8.20 2k7zA4 GLY 268 HA2 0.03 0.01 0.44 -0.51 4.01 3.98 2k7zA4 GLY 268 HA3 -0.01 0.08 0.36 -0.51 4.01 3.93 2k7zA4 ALA 269 H 0.04 0.26 -0.42 -0.55 8.40 7.73 2k7zA4 ALA 269 HA -0.02 0.03 0.43 -0.75 4.34 4.03 2k7zA4 ALA 269 HB3 0.01 0.05 0.02 -0.04 1.41 1.45 2k7zA4 LEU 270 H 0.06 0.26 -0.36 -0.55 8.37 7.78 2k7zA4 LEU 270 HA 0.06 0.08 0.55 -0.75 4.35 4.29 2k7zA4 LEU 270 HB2 0.12 0.11 0.16 -0.04 1.64 1.98 2k7zA4 LEU 270 HB3 0.19 -0.05 0.01 -0.04 1.64 1.76 2k7zA4 LEU 270 HG 0.06 0.18 0.07 -0.04 1.64 1.91 2k7zA4 LEU 270 HD13 0.08 -0.03 -0.02 -0.04 0.93 0.92 2k7zA4 LEU 270 HD23 0.06 -0.01 -0.02 -0.04 0.89 0.88 2k7zA4 THR 271 H 0.10 0.54 0.01 -0.55 8.28 8.38 2k7zA4 THR 271 HA 0.24 0.02 0.37 -0.75 4.39 4.26 2k7zA4 THR 271 HB 0.05 0.01 0.19 -0.04 4.32 4.54 2k7zA4 THR 271 HG23 0.05 -0.00 -0.06 -0.04 1.22 1.17 2k7zA4 THR 272 H 0.03 0.83 0.03 -0.55 8.28 8.62 2k7zA4 THR 272 HA 0.04 -0.04 0.31 -0.75 4.39 3.95 2k7zA4 THR 272 HB -0.03 0.08 0.11 -0.04 4.32 4.44 2k7zA4 THR 272 HG23 -0.03 0.03 -0.08 -0.04 1.22 1.10 2k7zA4 THR 273 H -0.02 0.28 -0.57 -0.55 8.28 7.43 2k7zA4 THR 273 HA -0.16 0.05 0.49 -0.75 4.39 4.02 2k7zA4 THR 273 HB -0.26 0.23 0.12 -0.04 4.32 4.37 2k7zA4 THR 273 HG23 -0.61 -0.03 -0.08 -0.04 1.22 0.46 2k7zA4 PHE 274 H 0.16 0.46 -0.19 -0.55 8.34 8.21 2k7zA4 PHE 274 HA 0.05 0.15 0.82 -0.75 4.62 4.88 2k7zA4 PHE 274 HB2 0.31 0.06 0.07 -0.04 3.15 3.55 2k7zA4 PHE 274 HB3 0.32 -0.06 0.02 -0.04 3.06 3.30 2k7zA4 PHE 274 HD2 0.06 0.10 -0.03 -0.04 7.28 7.37 2k7zA4 PHE 274 HE2 0.09 -0.03 -0.08 -0.04 7.38 7.32 2k7zA4 PHE 274 HZ 0.12 -0.06 -0.09 -0.04 7.32 7.25 2k7zA4 GLU 275 H 0.22 0.51 0.06 -0.55 8.60 8.83 2k7zA4 GLU 275 HA 0.25 0.00 0.35 -0.75 4.29 4.15 2k7zA4 GLU 275 HB2 0.08 0.12 0.14 -0.04 2.09 2.39 2k7zA4 GLU 275 HB3 0.11 -0.01 0.04 -0.04 1.99 2.08 2k7zA4 GLU 275 HG2 0.07 0.01 0.00 -0.04 2.34 2.38 2k7zA4 GLU 275 HG3 0.10 0.07 -0.24 -0.04 2.34 2.23 2k7zA4 GLU 276 H 0.05 0.30 -0.43 -0.55 8.60 7.97 2k7zA4 GLU 276 HA -0.03 0.03 0.42 -0.75 4.29 3.96 2k7zA4 GLU 276 HB2 -0.08 -0.03 0.11 -0.04 2.09 2.05 2k7zA4 GLU 276 HB3 -0.03 0.03 0.12 -0.04 1.99 2.07 2k7zA4 GLU 276 HG2 -0.09 0.14 0.10 -0.04 2.34 2.45 2k7zA4 GLU 276 HG3 -0.06 -0.04 -0.11 -0.04 2.34 2.10 2k7zA4 LEU 277 H 0.04 0.54 -0.40 -0.55 8.37 8.00 2k7zA4 LEU 277 HA -0.20 0.08 0.45 -0.75 4.35 3.93 2k7zA4 LEU 277 HB2 -0.19 0.10 0.02 -0.04 1.64 1.53 2k7zA4 LEU 277 HB3 -0.25 -0.07 0.03 -0.04 1.64 1.31 2k7zA4 LEU 277 HG -0.06 -0.03 0.01 -0.04 1.64 1.52 2k7zA4 LEU 277 HD13 -0.05 -0.01 0.03 -0.04 0.93 0.86 2k7zA4 LEU 277 HD23 -0.07 -0.01 -0.02 -0.04 0.89 0.74 2k7zA4 HIS 278 H 0.07 0.48 -0.36 -0.55 8.41 8.06 2k7zA4 HIS 278 HA 0.13 0.04 0.35 -0.75 4.63 4.39 2k7zA4 HIS 278 HB2 0.07 0.12 0.09 -0.04 3.26 3.51 2k7zA4 HIS 278 HB3 0.07 -0.08 0.16 -0.04 3.20 3.30 2k7zA4 HIS 278 HD2 0.03 -0.01 -0.03 -0.04 6.97 6.93 2k7zA4 HIS 278 HE1 0.03 -0.09 0.04 -0.04 7.75 7.69 2k7zA4 PHE 279 H 0.46 0.15 -0.02 -0.55 8.34 8.37 2k7zA4 PHE 279 HA 0.05 0.07 0.85 -0.75 4.62 4.84 2k7zA4 PHE 279 HB2 -0.01 -0.22 0.11 -0.04 3.15 2.99 2k7zA4 PHE 279 HB3 0.03 0.17 -0.34 -0.04 3.06 2.88 2k7zA4 PHE 279 HD2 0.02 -0.07 -0.23 -0.04 7.28 6.96 2k7zA4 PHE 279 HE2 0.09 -0.12 -0.30 -0.04 7.38 7.00 2k7zA4 PHE 279 HZ -0.01 -0.09 -0.13 -0.04 7.32 7.05 2k7zA4 GLU 280 H -0.12 0.35 0.04 -0.55 8.60 8.32 2k7zA4 GLU 280 HA -0.18 0.04 0.61 -0.75 4.29 4.01 2k7zA4 GLU 280 HB2 0.09 0.08 0.05 -0.04 2.09 2.27 2k7zA4 GLU 280 HB3 0.13 0.01 0.01 -0.04 1.99 2.09 2k7zA4 GLU 280 HG2 0.07 0.00 -0.05 -0.04 2.34 2.32 2k7zA4 GLU 280 HG3 -0.04 -0.05 -0.06 -0.04 2.34 2.15 2k7zA4 ILE 281 H -0.21 0.22 0.13 -0.55 8.25 7.84 2k7zA4 ILE 281 HA -0.25 0.08 0.85 -0.75 4.18 4.11 2k7zA4 ILE 281 HB -0.13 0.00 0.09 -0.04 1.89 1.81 2k7zA4 ILE 281 HG12 -0.09 -0.02 -0.19 -0.04 1.49 1.14 2k7zA4 ILE 281 HG13 -1.26 0.07 -0.81 -0.04 1.21 -0.84 2k7zA4 ILE 281 HG23 0.01 -0.02 -0.14 -0.04 0.93 0.74 2k7zA4 ILE 281 HD13 -0.02 0.02 -0.18 -0.04 0.88 0.65 2k7zA4 LYS 282 H -0.06 0.24 -0.02 -0.55 8.42 8.03 2k7zA4 LYS 282 HA -0.07 0.20 0.81 -0.75 4.32 4.51 2k7zA4 LYS 282 HB2 -0.07 -0.01 -0.07 -0.04 1.87 1.68 2k7zA4 LYS 282 HB3 -0.06 0.03 0.16 -0.04 1.79 1.87 2k7zA4 LYS 282 HG2 -0.16 0.01 -0.12 -0.04 1.46 1.15 2k7zA4 LYS 282 HG3 -0.10 0.02 -0.01 -0.04 1.46 1.33 2k7zA4 LYS 282 HD2 -0.13 -0.02 -0.04 -0.04 1.69 1.46 2k7zA4 LYS 282 HD3 -0.11 0.02 -0.03 -0.04 1.68 1.52 2k7zA4 LYS 282 HE2 -0.10 0.03 0.01 -0.04 2.99 2.88 2k7zA4 LYS 282 HE3 -0.39 -0.03 -0.06 -0.04 2.99 2.47 2k7zA4 PRO 283 HA 0.05 0.08 0.46 -0.51 4.44 4.51 2k7zA4 PRO 283 HB2 0.02 0.01 -0.11 -0.04 2.28 2.17 2k7zA4 PRO 283 HB3 0.04 -0.02 -0.06 -0.04 2.02 1.94 2k7zA4 PRO 283 HG2 -0.01 0.01 0.04 -0.04 2.03 2.03 2k7zA4 PRO 283 HG3 0.01 0.00 -0.03 -0.04 2.03 1.97 2k7zA4 PRO 283 HD2 -0.04 0.14 0.11 -0.04 3.68 3.86 2k7zA4 PRO 283 HD3 -0.02 0.11 -0.36 -0.04 3.65 3.34 2k7zA4 HIS 284 H 0.16 0.66 0.41 -0.55 8.41 9.09 2k7zA4 HIS 284 HA -0.00 0.01 0.50 -0.75 4.63 4.39 2k7zA4 HIS 284 HB2 0.02 0.10 0.32 -0.04 3.26 3.66 2k7zA4 HIS 284 HB3 0.01 0.06 0.05 -0.04 3.20 3.27 2k7zA4 HIS 284 HD2 0.02 0.09 0.12 -0.04 6.97 7.15 2k7zA4 HIS 284 HE1 0.01 -0.01 -0.02 -0.04 7.75 7.69 2k7zA4 ASP 285 H 0.05 0.08 0.13 -0.55 8.40 8.11 2k7zA4 ASP 285 HA -0.05 0.09 0.50 -0.75 4.63 4.42 2k7zA4 ASP 285 HB2 -0.03 -0.13 0.13 -0.04 2.71 2.65 2k7zA4 ASP 285 HB3 -0.03 0.08 0.08 -0.04 2.70 2.78 2k7zA4 ASP 286 H -0.03 0.05 0.08 -0.55 8.40 7.95 2k7zA4 ASP 286 HA 0.01 0.17 0.52 -0.75 4.63 4.58 2k7zA4 ASP 286 HB2 0.04 -0.01 0.06 -0.04 2.71 2.76 2k7zA4 ASP 286 HB3 0.01 -0.30 0.18 -0.04 2.70 2.55 2k7zA4 CYS 287 H 0.03 0.33 0.25 -0.55 8.50 8.56 2k7zA4 CYS 287 HA 0.03 0.06 0.90 -0.75 4.58 4.81 2k7zA4 CYS 287 HB2 0.02 0.08 0.12 -0.04 2.97 3.15 2k7zA4 CYS 287 HB3 0.01 -0.07 -0.02 -0.04 2.97 2.85 2k7zA4 THR 288 H 0.02 0.14 0.10 -0.55 8.28 8.00 2k7zA4 THR 288 HA 0.03 0.26 0.63 -0.75 4.39 4.56 2k7zA4 THR 288 HB 0.01 0.10 0.25 -0.04 4.32 4.64 2k7zA4 THR 288 HG23 0.02 0.00 0.03 -0.04 1.22 1.23 2k7zA4 VAL 289 H 0.01 0.29 0.13 -0.55 8.24 8.13 2k7zA4 VAL 289 HA 0.05 0.07 0.30 -0.75 4.13 3.79 2k7zA4 VAL 289 HB 0.02 0.04 -0.02 -0.04 2.12 2.12 2k7zA4 VAL 289 HG13 -0.10 0.02 0.00 -0.04 0.97 0.85 2k7zA4 VAL 289 HG23 -0.13 0.07 -0.12 -0.04 0.95 0.73 2k7zA4 GLU 290 H -0.07 0.09 -0.25 -0.55 8.60 7.82 2k7zA4 GLU 290 HA -0.19 0.11 0.33 -0.75 4.29 3.78 2k7zA4 GLU 290 HB2 -0.09 0.01 0.08 -0.04 2.09 2.05 2k7zA4 GLU 290 HB3 -0.03 -0.02 0.02 -0.04 1.99 1.91 2k7zA4 GLU 290 HG2 -0.03 0.02 -0.01 -0.04 2.34 2.28 2k7zA4 GLU 290 HG3 -0.02 0.04 -0.08 -0.04 2.34 2.23 2k7zA4 GLN 291 H 0.00 0.22 -0.44 -0.55 8.47 7.71 2k7zA4 GLN 291 HA 0.03 0.12 0.57 -0.75 4.36 4.32 2k7zA4 GLN 291 HB2 0.02 0.07 0.05 -0.04 2.15 2.25 2k7zA4 GLN 291 HB3 0.02 0.05 -0.00 -0.04 2.02 2.05 2k7zA4 GLN 291 HG2 0.01 -0.10 0.01 -0.04 2.40 2.28 2k7zA4 GLN 291 HG3 0.03 0.02 0.11 -0.04 2.39 2.50 2k7zA4 GLN 291 HE21 0.04 0.02 -0.00 -0.04 6.97 6.99 2k7zA4 GLN 291 HE22 0.03 0.03 -0.00 -0.04 7.69 7.71 2k7zA4 ILE 292 H 0.04 0.47 -0.13 -0.55 8.25 8.08 2k7zA4 ILE 292 HA -0.00 0.04 0.32 -0.75 4.18 3.79 2k7zA4 ILE 292 HB 0.16 0.08 0.06 -0.04 1.89 2.15 2k7zA4 ILE 292 HG12 0.06 0.14 -0.25 -0.04 1.49 1.40 2k7zA4 ILE 292 HG13 0.09 -0.10 -0.07 -0.04 1.21 1.08 2k7zA4 ILE 292 HG23 0.03 -0.01 -0.08 -0.04 0.93 0.83 2k7zA4 ILE 292 HD13 -0.00 -0.01 -0.07 -0.04 0.88 0.76 2k7zA4 TYR 293 H 0.27 0.51 -0.25 -0.55 8.29 8.28 2k7zA4 TYR 293 HA -0.05 0.00 0.39 -0.75 4.56 4.16 2k7zA4 TYR 293 HB2 -0.02 0.14 0.07 -0.04 3.06 3.21 2k7zA4 TYR 293 HB3 -0.02 0.01 -0.00 -0.04 2.98 2.93 2k7zA4 TYR 293 HD2 -0.02 -0.01 -0.02 -0.04 7.15 7.05 2k7zA4 TYR 293 HE2 -0.04 -0.03 -0.05 -0.04 6.85 6.70 2k7zA4 GLU 294 H 0.08 0.40 -0.51 -0.55 8.60 8.03 2k7zA4 GLU 294 HA 0.03 0.08 0.54 -0.75 4.29 4.20 2k7zA4 GLU 294 HB2 0.03 0.13 0.13 -0.04 2.09 2.34 2k7zA4 GLU 294 HB3 0.03 -0.04 0.14 -0.04 1.99 2.08 2k7zA4 GLU 294 HG2 0.06 0.19 0.09 -0.04 2.34 2.64 2k7zA4 GLU 294 HG3 0.03 -0.04 0.04 -0.04 2.34 2.33 2k7zA4 ILE 295 H -0.01 0.41 -0.28 -0.55 8.25 7.82 2k7zA4 ILE 295 HA -0.00 0.12 0.73 -0.75 4.18 4.28 2k7zA4 ILE 295 HB -0.10 0.05 0.10 -0.04 1.89 1.90 2k7zA4 ILE 295 HG12 -0.09 0.01 -0.11 -0.04 1.49 1.26 2k7zA4 ILE 295 HG13 -0.06 0.17 -0.03 -0.04 1.21 1.25 2k7zA4 ILE 295 HG23 -0.04 -0.01 0.00 -0.04 0.93 0.83 2k7zA4 ILE 295 HD13 -0.34 -0.02 -0.08 -0.04 0.88 0.40 2k7zA4 LEU 296 H -0.11 0.44 0.05 -0.55 8.37 8.20 2k7zA4 LEU 296 HA -0.43 0.05 0.33 -0.75 4.35 3.55 2k7zA4 LEU 296 HB2 -0.19 0.05 0.13 -0.04 1.64 1.59 2k7zA4 LEU 296 HB3 -0.20 0.07 -0.03 -0.04 1.64 1.44 2k7zA4 LEU 296 HG -0.25 -0.07 -0.03 -0.04 1.64 1.25 2k7zA4 LEU 296 HD13 -0.32 0.01 -0.05 -0.04 0.93 0.53 2k7zA4 LEU 296 HD23 -0.23 0.01 -0.08 -0.04 0.89 0.54 2k7zA4 LYS 297 H -0.05 0.18 -0.41 -0.55 8.42 7.58 2k7zA4 LYS 297 HA 0.01 0.15 0.62 -0.75 4.32 4.33 2k7zA4 LYS 297 HB2 0.01 -0.00 0.07 -0.04 1.87 1.91 2k7zA4 LYS 297 HB3 -0.02 0.02 0.05 -0.04 1.79 1.80 2k7zA4 LYS 297 HG2 0.02 0.06 -0.11 -0.04 1.46 1.39 2k7zA4 LYS 297 HG3 0.02 -0.03 -0.07 -0.04 1.46 1.34 2k7zA4 LYS 297 HD2 -0.00 0.15 0.11 -0.04 1.69 1.91 2k7zA4 LYS 297 HD3 0.02 0.02 0.07 -0.04 1.68 1.76 2k7zA4 LYS 297 HE2 0.00 -0.01 0.00 -0.04 2.99 2.94 2k7zA4 LYS 297 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.93 2k7zA4 ILE 298 H 0.04 0.31 -0.37 -0.55 8.25 7.68 2k7zA4 ILE 298 HA 0.07 0.01 0.29 -0.75 4.18 3.80 2k7zA4 ILE 298 HB 0.14 0.15 0.16 -0.04 1.89 2.30 2k7zA4 ILE 298 HG12 0.05 -0.05 0.06 -0.04 1.49 1.51 2k7zA4 ILE 298 HG13 0.04 0.13 0.19 -0.04 1.21 1.53 2k7zA4 ILE 298 HG23 0.07 -0.01 -0.03 -0.04 0.93 0.92 2k7zA4 ILE 298 HD13 0.05 -0.01 0.05 -0.04 0.88 0.94 2k7zA4 TYR 299 H 0.30 0.28 -0.34 -0.55 8.29 7.97 2k7zA4 TYR 299 HA 0.04 0.01 0.31 -0.75 4.56 4.17 2k7zA4 TYR 299 HB2 0.08 0.16 0.04 -0.04 3.06 3.29 2k7zA4 TYR 299 HB3 0.20 0.08 -0.03 -0.04 2.98 3.19 2k7zA4 TYR 299 HD2 -0.14 0.01 -0.04 -0.04 7.15 6.95 2k7zA4 TYR 299 HE2 -0.07 -0.03 -0.07 -0.04 6.85 6.64 2k7zA4 GLN 300 H 0.17 0.29 -0.37 -0.55 8.47 8.01 2k7zA4 GLN 300 HA 0.09 0.12 0.57 -0.75 4.36 4.39 2k7zA4 GLN 300 HB2 0.09 0.02 0.08 -0.04 2.15 2.30 2k7zA4 GLN 300 HB3 0.07 0.15 0.13 -0.04 2.02 2.33 2k7zA4 GLN 300 HG2 0.02 -0.06 0.07 -0.04 2.40 2.39 2k7zA4 GLN 300 HG3 0.02 0.01 0.04 -0.04 2.39 2.42 2k7zA4 GLN 300 HE21 0.02 -0.01 -0.17 -0.04 6.97 6.77 2k7zA4 GLN 300 HE22 0.02 -0.03 -0.14 -0.04 7.69 7.49 2k7zA4 LEU 301 H 0.08 0.24 -0.11 -0.55 8.37 8.03 2k7zA4 LEU 301 HA 0.03 0.03 0.43 -0.75 4.35 4.09 2k7zA4 LEU 301 HB2 0.05 0.05 0.15 -0.04 1.64 1.85 2k7zA4 LEU 301 HB3 0.03 -0.03 -0.02 -0.04 1.64 1.59 2k7zA4 LEU 301 HG 0.03 -0.01 0.02 -0.04 1.64 1.64 2k7zA4 LEU 301 HD13 0.04 -0.03 -0.12 -0.04 0.93 0.77 2k7zA4 LEU 301 HD23 0.03 -0.02 -0.02 -0.04 0.89 0.84 2k7zA4 MET 302 H 0.08 0.45 -0.27 -0.55 8.47 8.18 2k7zA4 MET 302 HA 0.06 0.03 0.43 -0.75 4.52 4.28 2k7zA4 MET 302 HB2 0.17 0.12 0.08 -0.04 2.15 2.47 2k7zA4 MET 302 HB3 0.20 -0.09 0.02 -0.04 2.03 2.11 2k7zA4 MET 302 HG2 0.04 -0.04 -0.03 -0.04 2.63 2.55 2k7zA4 MET 302 HG3 0.05 0.10 -0.08 -0.04 2.56 2.58 2k7zA4 MET 302 HE3 -0.24 0.00 -0.07 -0.04 2.10 1.75 2k7zA4 ASP 303 H 0.03 0.31 -0.17 -0.55 8.40 8.02 2k7zA4 ASP 303 HA -0.06 0.04 0.18 -0.75 4.63 4.04 2k7zA4 ASP 303 HB2 0.01 0.17 -0.12 -0.04 2.71 2.73 2k7zA4 ASP 303 HB3 0.01 0.03 -0.04 -0.04 2.70 2.66 2k7zA4 HIS 304 H 0.07 0.03 -0.72 -0.55 8.41 7.25 2k7zA4 HIS 304 HA 0.03 0.02 0.34 -0.75 4.63 4.26 2k7zA4 HIS 304 HB2 0.05 -0.10 0.04 -0.04 3.26 3.21 2k7zA4 HIS 304 HB3 0.03 0.08 0.04 -0.04 3.20 3.30 2k7zA4 HIS 304 HD2 -0.07 -0.02 -0.04 -0.04 6.97 6.79 2k7zA4 HIS 304 HE1 0.04 0.02 -0.12 -0.04 7.75 7.65 2k7zA4 SER 305 H 0.05 0.19 0.26 -0.55 8.46 8.43 2k7zA4 SER 305 HA 0.00 0.18 0.51 -0.75 4.49 4.43 2k7zA4 SER 305 HB2 0.01 -0.01 0.19 -0.04 3.95 4.11 2k7zA4 SER 305 HB3 0.01 0.09 0.14 -0.04 3.93 4.12 2k7zA4 ASN 306 H 0.14 -0.00 -0.44 -0.55 8.53 7.68 2k7zA4 ASN 306 HA 0.06 0.14 0.62 -0.75 4.76 4.82 2k7zA4 ASN 306 HB2 0.10 -0.03 0.02 -0.04 2.88 2.93 2k7zA4 ASN 306 HB3 0.06 0.00 -0.02 -0.04 2.79 2.78 2k7zA4 ASN 306 HD21 0.10 -0.03 0.00 -0.04 7.03 7.07 2k7zA4 ASN 306 HD22 0.06 0.02 -0.02 -0.04 7.74 7.76 2k7zA4 MET 307 H 0.24 0.05 -0.02 -0.55 8.47 8.19 2k7zA4 MET 307 HA 0.05 0.05 0.66 -0.75 4.52 4.52 2k7zA4 MET 307 HB2 0.37 0.08 -0.07 -0.04 2.15 2.49 2k7zA4 MET 307 HB3 0.11 0.03 0.07 -0.04 2.03 2.20 2k7zA4 MET 307 HG2 0.06 -0.09 0.04 -0.04 2.63 2.60 2k7zA4 MET 307 HG3 -0.28 0.03 0.02 -0.04 2.56 2.28 2k7zA4 MET 307 HE3 -0.65 0.03 0.08 -0.04 2.10 1.52 2k7zA4 ASP 308 H 0.04 0.06 0.18 -0.55 8.40 8.13 2k7zA4 ASP 308 HA 0.07 0.25 0.82 -0.75 4.63 5.01 2k7zA4 ASP 308 HB2 -0.01 -0.10 0.04 -0.04 2.71 2.60 2k7zA4 ASP 308 HB3 -0.01 -0.09 -0.05 -0.04 2.70 2.52 2k7zA4 CYS 309 H 0.04 0.15 0.17 -0.55 8.50 8.31 2k7zA4 CYS 309 HA -0.12 0.24 0.36 -0.75 4.58 4.31 2k7zA4 CYS 309 HB2 -0.16 -0.03 0.03 -0.04 2.97 2.77 2k7zA4 CYS 309 HB3 -0.12 0.13 -0.10 -0.04 2.97 2.84 2k7zA4 PHE 310 H -0.34 0.33 0.12 -0.55 8.34 7.89 2k7zA4 PHE 310 HA 0.05 0.06 0.38 -0.75 4.62 4.36 2k7zA4 PHE 310 HB2 0.00 -0.04 0.13 -0.04 3.15 3.20 2k7zA4 PHE 310 HB3 -0.01 0.15 -0.01 -0.04 3.06 3.15 2k7zA4 PHE 310 HD2 0.04 -0.05 -0.41 -0.04 7.28 6.82 2k7zA4 PHE 310 HE2 0.05 0.01 -0.12 -0.04 7.38 7.28 2k7zA4 PHE 310 HZ 0.11 0.10 -0.07 -0.04 7.32 7.42 2k7zA4 ILE 311 H 0.27 0.24 0.19 -0.55 8.25 8.40 2k7zA4 ILE 311 HA -0.01 0.16 0.95 -0.75 4.18 4.53 2k7zA4 ILE 311 HB -0.06 -0.04 0.02 -0.04 1.89 1.76 2k7zA4 ILE 311 HG12 -0.05 0.06 -0.25 -0.04 1.49 1.21 2k7zA4 ILE 311 HG13 0.26 -0.09 -0.33 -0.04 1.21 1.02 2k7zA4 ILE 311 HG23 -0.19 0.03 -0.14 -0.04 0.93 0.59 2k7zA4 ILE 311 HD13 0.10 0.02 -0.11 -0.04 0.88 0.85 2k7zA4 CYS 312 H 0.07 0.77 0.33 -0.55 8.50 9.13 2k7zA4 CYS 312 HA 0.15 0.17 0.95 -0.75 4.58 5.10 2k7zA4 CYS 312 HB2 0.16 -0.04 0.03 -0.04 2.97 3.08 2k7zA4 CYS 312 HB3 0.31 0.05 -0.03 -0.04 2.97 3.26 2k7zA4 CYS 313 H 0.12 0.77 0.20 -0.55 8.50 9.04 2k7zA4 CYS 313 HA 0.26 0.12 0.80 -0.75 4.58 5.00 2k7zA4 CYS 313 HB2 0.17 -0.02 0.06 -0.04 2.97 3.14 2k7zA4 CYS 313 HB3 0.13 -0.05 0.31 -0.04 2.97 3.32 2k7zA4 ILE 314 H 0.26 0.30 -0.07 -0.55 8.25 8.20 2k7zA4 ILE 314 HA 0.03 0.03 0.58 -0.75 4.18 4.06 2k7zA4 ILE 314 HB -0.15 0.03 0.10 -0.04 1.89 1.83 2k7zA4 ILE 314 HG12 -0.12 0.01 -0.05 -0.04 1.49 1.28 2k7zA4 ILE 314 HG13 -0.03 0.01 -0.13 -0.04 1.21 1.01 2k7zA4 ILE 314 HG23 -0.10 -0.02 -0.11 -0.04 0.93 0.66 2k7zA4 ILE 314 HD13 -0.24 0.01 -0.10 -0.04 0.88 0.52 2k7zA4 LEU 315 H 0.02 0.24 0.14 -0.55 8.37 8.22 2k7zA4 LEU 315 HA -0.02 0.17 0.62 -0.75 4.35 4.37 2k7zA4 LEU 315 HB2 0.04 0.12 -0.00 -0.04 1.64 1.75 2k7zA4 LEU 315 HB3 0.03 -0.02 0.07 -0.04 1.64 1.68 2k7zA4 LEU 315 HG 0.09 0.09 -0.46 -0.04 1.64 1.31 2k7zA4 LEU 315 HD13 0.07 0.04 0.00 -0.04 0.93 1.00 2k7zA4 LEU 315 HD23 0.06 0.05 -0.13 -0.04 0.89 0.83 2k7zA4 SER 316 H -0.07 0.04 -0.10 -0.55 8.46 7.78 2k7zA4 SER 316 HA 0.02 0.11 0.48 -0.75 4.49 4.35 2k7zA4 SER 316 HB2 0.04 0.06 0.03 -0.04 3.95 4.04 2k7zA4 SER 316 HB3 0.07 -0.08 0.05 -0.04 3.93 3.94 2k7zA4 HIS 317 H -0.30 0.04 -0.14 -0.55 8.41 7.47 2k7zA4 HIS 317 HA 0.04 0.30 0.73 -0.75 4.63 4.94 2k7zA4 HIS 317 HB2 0.05 0.17 0.14 -0.04 3.26 3.59 2k7zA4 HIS 317 HB3 0.05 -0.07 -0.12 -0.04 3.20 3.02 2k7zA4 HIS 317 HD2 0.04 -0.05 -0.08 -0.04 6.97 6.84 2k7zA4 HIS 317 HE1 0.01 0.00 -0.02 -0.04 7.75 7.70 2k7zA4 GLY 318 H 0.05 0.27 0.06 -0.55 8.43 8.26 2k7zA4 GLY 318 HA2 0.00 0.00 0.32 -0.51 4.01 3.82 2k7zA4 GLY 318 HA3 0.03 0.00 0.35 -0.51 4.01 3.88 2k7zA4 ASP 319 H 0.09 0.19 -0.10 -0.55 8.40 8.04 2k7zA4 ASP 319 HA 0.12 0.22 0.62 -0.75 4.63 4.83 2k7zA4 ASP 319 HB2 0.05 0.06 -0.13 -0.04 2.71 2.65 2k7zA4 ASP 319 HB3 0.06 -0.17 0.09 -0.04 2.70 2.65 2k7zA4 LYS 320 H 0.10 0.12 0.19 -0.55 8.42 8.29 2k7zA4 LYS 320 HA 0.09 0.17 0.88 -0.75 4.32 4.70 2k7zA4 LYS 320 HB2 0.12 0.05 0.13 -0.04 1.87 2.13 2k7zA4 LYS 320 HB3 0.09 0.00 0.10 -0.04 1.79 1.95 2k7zA4 LYS 320 HG2 0.17 -0.02 0.05 -0.04 1.46 1.62 2k7zA4 LYS 320 HG3 0.11 0.04 0.01 -0.04 1.46 1.58 2k7zA4 LYS 320 HD2 0.26 -0.00 -0.06 -0.04 1.69 1.85 2k7zA4 LYS 320 HD3 0.21 -0.11 -0.29 -0.04 1.68 1.44 2k7zA4 LYS 320 HE2 0.16 -0.07 0.09 -0.04 2.99 3.14 2k7zA4 LYS 320 HE3 0.26 0.10 -0.04 -0.04 2.99 3.27 2k7zA4 GLY 321 H 0.07 0.00 0.18 -0.55 8.43 8.13 2k7zA4 GLY 321 HA2 0.04 0.20 0.69 -0.51 4.01 4.43 2k7zA4 GLY 321 HA3 0.04 -0.06 0.37 -0.51 4.01 3.85 2k7zA4 ILE 322 H 0.05 -0.09 -0.36 -0.55 8.25 7.29 2k7zA4 ILE 322 HA 0.01 0.07 0.55 -0.75 4.18 4.05 2k7zA4 ILE 322 HB 0.01 0.12 0.13 -0.04 1.89 2.11 2k7zA4 ILE 322 HG12 0.07 -0.27 -0.46 -0.04 1.49 0.79 2k7zA4 ILE 322 HG13 0.06 0.03 -0.46 -0.04 1.21 0.79 2k7zA4 ILE 322 HG23 0.02 -0.02 0.05 -0.04 0.93 0.93 2k7zA4 ILE 322 HD13 0.06 0.07 -0.07 -0.04 0.88 0.90 2k7zA4 ILE 323 H -0.02 0.14 0.15 -0.55 8.25 7.96 2k7zA4 ILE 323 HA 0.05 0.07 0.68 -0.75 4.18 4.23 2k7zA4 ILE 323 HB -0.11 0.02 0.11 -0.04 1.89 1.87 2k7zA4 ILE 323 HG12 -0.05 -0.05 0.07 -0.04 1.49 1.42 2k7zA4 ILE 323 HG13 -0.09 -0.02 0.06 -0.04 1.21 1.12 2k7zA4 ILE 323 HG23 -0.21 0.03 -0.01 -0.04 0.93 0.70 2k7zA4 ILE 323 HD13 -0.01 0.04 -0.07 -0.04 0.88 0.80 2k7zA4 TYR 324 H 0.26 0.09 0.12 -0.55 8.29 8.21 2k7zA4 TYR 324 HA -0.00 -0.03 0.32 -0.75 4.56 4.10 2k7zA4 TYR 324 HB2 -0.01 -0.09 0.13 -0.04 3.06 3.05 2k7zA4 TYR 324 HB3 -0.01 0.05 0.13 -0.04 2.98 3.11 2k7zA4 TYR 324 HD2 -0.01 -0.01 -0.01 -0.04 7.15 7.08 2k7zA4 TYR 324 HE2 0.00 0.01 -0.02 -0.04 6.85 6.80 2k7zA4 GLY 325 H 0.20 0.08 -0.01 -0.55 8.43 8.15 2k7zA4 GLY 325 HA2 -0.01 0.08 0.18 -0.51 4.01 3.75 2k7zA4 GLY 325 HA3 -0.08 0.13 0.68 -0.51 4.01 4.23 2k7zA4 THR 326 H -0.00 0.10 -0.08 -0.55 8.28 7.75 2k7zA4 THR 326 HA 0.02 0.11 0.52 -0.75 4.39 4.29 2k7zA4 THR 326 HB 0.02 0.18 0.00 -0.04 4.32 4.48 2k7zA4 THR 326 HG23 0.00 -0.01 -0.03 -0.04 1.22 1.14 2k7zA4 ASP 327 H 0.00 0.06 0.05 -0.55 8.40 7.97 2k7zA4 ASP 327 HA 0.03 0.14 0.55 -0.75 4.63 4.60 2k7zA4 ASP 327 HB2 0.03 -0.09 -0.05 -0.04 2.71 2.55 2k7zA4 ASP 327 HB3 -0.01 -0.15 -0.10 -0.04 2.70 2.40 2k7zA4 GLY 328 H -0.01 0.29 -0.05 -0.55 8.43 8.11 2k7zA4 GLY 328 HA2 0.03 0.12 0.39 -0.51 4.01 4.04 2k7zA4 GLY 328 HA3 -0.00 0.13 0.35 -0.51 4.01 3.98 2k7zA4 GLN 329 H 0.05 0.63 -0.39 -0.55 8.47 8.21 2k7zA4 GLN 329 HA 0.07 -0.02 0.45 -0.75 4.36 4.10 2k7zA4 GLN 329 HB2 0.05 0.04 -0.02 -0.04 2.15 2.17 2k7zA4 GLN 329 HB3 0.03 0.07 0.03 -0.04 2.02 2.12 2k7zA4 GLN 329 HG2 0.04 -0.18 -0.45 -0.04 2.40 1.77 2k7zA4 GLN 329 HG3 0.03 0.05 -0.12 -0.04 2.39 2.31 2k7zA4 GLN 329 HE21 0.04 0.07 -0.01 -0.04 6.97 7.03 2k7zA4 GLN 329 HE22 0.02 -0.02 -0.10 -0.04 7.69 7.56 2k7zA4 GLU 330 H 0.06 0.09 0.12 -0.55 8.60 8.33 2k7zA4 GLU 330 HA 0.08 0.20 0.77 -0.75 4.29 4.59 2k7zA4 GLU 330 HB2 0.05 0.06 0.09 -0.04 2.09 2.25 2k7zA4 GLU 330 HB3 0.07 0.07 -0.32 -0.04 1.99 1.78 2k7zA4 GLU 330 HG2 0.03 -0.02 -0.21 -0.04 2.34 2.10 2k7zA4 GLU 330 HG3 0.07 0.14 -0.07 -0.04 2.34 2.43 2k7zA4 ALA 331 H -0.10 0.32 0.22 -0.55 8.40 8.29 2k7zA4 ALA 331 HA 0.02 0.13 0.36 -0.75 4.34 4.10 2k7zA4 ALA 331 HB3 0.08 0.02 -0.06 -0.04 1.41 1.41 2k7zA4 PRO 332 HA 0.06 0.14 0.57 -0.51 4.44 4.70 2k7zA4 PRO 332 HB2 0.04 -0.09 0.18 -0.04 2.28 2.37 2k7zA4 PRO 332 HB3 0.03 0.13 0.13 -0.04 2.02 2.27 2k7zA4 PRO 332 HG2 0.03 -0.02 0.15 -0.04 2.03 2.15 2k7zA4 PRO 332 HG3 0.05 0.12 0.10 -0.04 2.03 2.26 2k7zA4 PRO 332 HD2 0.14 0.14 0.19 -0.04 3.68 4.11 2k7zA4 PRO 332 HD3 0.05 0.18 0.14 -0.04 3.65 3.98 2k7zA4 ILE 333 H -0.01 0.53 0.28 -0.55 8.25 8.51 2k7zA4 ILE 333 HA -0.08 0.05 0.35 -0.75 4.18 3.75 2k7zA4 ILE 333 HB -0.01 0.09 0.12 -0.04 1.89 2.05 2k7zA4 ILE 333 HG12 0.06 0.02 -0.10 -0.04 1.49 1.43 2k7zA4 ILE 333 HG13 -0.04 -0.04 0.07 -0.04 1.21 1.16 2k7zA4 ILE 333 HG23 0.11 0.02 0.03 -0.04 0.93 1.05 2k7zA4 ILE 333 HD13 0.10 0.02 -0.01 -0.04 0.88 0.94 2k7zA4 TYR 334 H 0.21 0.09 -0.28 -0.55 8.29 7.75 2k7zA4 TYR 334 HA -0.08 0.11 0.43 -0.75 4.56 4.27 2k7zA4 TYR 334 HB2 -0.05 -0.03 0.04 -0.04 3.06 2.97 2k7zA4 TYR 334 HB3 -0.07 0.07 -0.00 -0.04 2.98 2.94 2k7zA4 TYR 334 HD2 -0.08 -0.03 0.03 -0.04 7.15 7.02 2k7zA4 TYR 334 HE2 -0.14 0.08 -0.02 -0.04 6.85 6.73 2k7zA4 GLU 335 H 0.05 0.34 -0.24 -0.55 8.60 8.19 2k7zA4 GLU 335 HA -0.00 0.13 0.63 -0.75 4.29 4.29 2k7zA4 GLU 335 HB2 -0.01 0.06 0.16 -0.04 2.09 2.25 2k7zA4 GLU 335 HB3 -0.03 0.04 0.03 -0.04 1.99 1.98 2k7zA4 GLU 335 HG2 0.00 0.05 -0.01 -0.04 2.34 2.34 2k7zA4 GLU 335 HG3 0.02 -0.09 0.00 -0.04 2.34 2.23 2k7zA4 LEU 336 H -0.07 0.45 0.01 -0.55 8.37 8.21 2k7zA4 LEU 336 HA -0.19 0.08 0.41 -0.75 4.35 3.90 2k7zA4 LEU 336 HB2 -0.13 0.02 0.07 -0.04 1.64 1.57 2k7zA4 LEU 336 HB3 -0.19 0.02 -0.04 -0.04 1.64 1.39 2k7zA4 LEU 336 HG -0.14 0.09 -0.14 -0.04 1.64 1.41 2k7zA4 LEU 336 HD13 -0.07 -0.02 -0.19 -0.04 0.93 0.61 2k7zA4 LEU 336 HD23 -0.62 0.00 -0.06 -0.04 0.89 0.17 2k7zA4 THR 337 H -0.09 0.53 -0.12 -0.55 8.28 8.05 2k7zA4 THR 337 HA -0.09 0.11 0.49 -0.75 4.39 4.15 2k7zA4 THR 337 HB -0.11 0.00 0.04 -0.04 4.32 4.22 2k7zA4 THR 337 HG23 -0.14 -0.02 -0.02 -0.04 1.22 1.00 2k7zA4 SER 338 H -0.03 0.17 -0.53 -0.55 8.46 7.51 2k7zA4 SER 338 HA 0.00 0.01 0.35 -0.75 4.49 4.10 2k7zA4 SER 338 HB2 -0.00 0.07 0.27 -0.04 3.95 4.25 2k7zA4 SER 338 HB3 -0.00 -0.03 -0.00 -0.04 3.93 3.85 2k7zA4 GLN 339 H -0.01 0.32 -0.39 -0.55 8.47 7.85 2k7zA4 GLN 339 HA 0.01 0.02 0.37 -0.75 4.36 4.00 2k7zA4 GLN 339 HB2 -0.00 -0.02 0.09 -0.04 2.15 2.17 2k7zA4 GLN 339 HB3 -0.04 -0.02 0.08 -0.04 2.02 2.01 2k7zA4 GLN 339 HG2 -0.08 -0.03 0.06 -0.04 2.40 2.31 2k7zA4 GLN 339 HG3 0.02 0.06 -0.05 -0.04 2.39 2.37 2k7zA4 GLN 339 HE21 -0.06 -0.09 -0.12 -0.04 6.97 6.66 2k7zA4 GLN 339 HE22 -0.01 0.03 -0.16 -0.04 7.69 7.51 2k7zA4 PHE 340 H 0.15 0.34 -0.61 -0.55 8.34 7.67 2k7zA4 PHE 340 HA 0.01 0.13 0.45 -0.75 4.62 4.47 2k7zA4 PHE 340 HB2 -0.01 -0.05 0.05 -0.04 3.15 3.11 2k7zA4 PHE 340 HB3 -0.00 0.03 0.04 -0.04 3.06 3.09 2k7zA4 PHE 340 HD2 0.07 -0.03 -0.02 -0.04 7.28 7.26 2k7zA4 PHE 340 HE2 0.18 0.10 -0.04 -0.04 7.38 7.58 2k7zA4 PHE 340 HZ 0.26 0.08 -0.08 -0.04 7.32 7.54 2k7zA4 THR 341 H 0.02 0.30 -0.52 -0.55 8.28 7.54 2k7zA4 THR 341 HA -0.02 0.05 0.39 -0.75 4.39 4.06 2k7zA4 THR 341 HB -0.02 -0.05 0.09 -0.04 4.32 4.30 2k7zA4 THR 341 HG23 -0.02 -0.08 -0.04 -0.04 1.22 1.04 2k7zA4 GLY 342 H -0.06 0.19 0.15 -0.55 8.43 8.17 2k7zA4 GLY 342 HA2 -0.12 0.14 0.13 -0.51 4.01 3.65 2k7zA4 GLY 342 HA3 -0.06 0.04 0.29 -0.51 4.01 3.78 2k7zA4 LEU 343 H -0.04 -0.00 -0.62 -0.55 8.37 7.16 2k7zA4 LEU 343 HA -0.03 0.17 0.72 -0.75 4.35 4.45 2k7zA4 LEU 343 HB2 -0.02 -0.00 -0.07 -0.04 1.64 1.51 2k7zA4 LEU 343 HB3 -0.02 0.02 0.04 -0.04 1.64 1.65 2k7zA4 LEU 343 HG -0.02 -0.08 -0.10 -0.04 1.64 1.40 2k7zA4 LEU 343 HD13 -0.01 0.00 -0.03 -0.04 0.93 0.85 2k7zA4 LEU 343 HD23 -0.02 0.03 -0.14 -0.04 0.89 0.72 2k7zA4 LYS 344 H -0.04 0.31 -0.08 -0.55 8.42 8.05 2k7zA4 LYS 344 HA -0.02 0.13 0.79 -0.75 4.32 4.46 2k7zA4 LYS 344 HB2 -0.02 0.10 0.05 -0.04 1.87 1.96 2k7zA4 LYS 344 HB3 -0.01 -0.01 0.09 -0.04 1.79 1.81 2k7zA4 LYS 344 HG2 -0.02 -0.13 -0.11 -0.04 1.46 1.16 2k7zA4 LYS 344 HG3 -0.01 0.02 -0.02 -0.04 1.46 1.40 2k7zA4 LYS 344 HD2 -0.01 -0.04 -0.06 -0.04 1.69 1.54 2k7zA4 LYS 344 HD3 -0.01 0.02 -0.01 -0.04 1.68 1.63 2k7zA4 LYS 344 HE2 -0.02 0.24 -0.16 -0.04 2.99 3.01 2k7zA4 LYS 344 HE3 -0.02 -0.20 -0.50 -0.04 2.99 2.23 2k7zA4 CYS 345 H -0.07 0.55 -0.02 -0.55 8.50 8.41 2k7zA4 CYS 345 HA -0.04 0.08 0.62 -0.75 4.58 4.49 2k7zA4 CYS 345 HB2 -0.02 0.15 -0.03 -0.04 2.97 3.03 2k7zA4 CYS 345 HB3 -0.12 -0.02 0.09 -0.04 2.97 2.88 2k7zA4 PRO 346 HA -0.10 0.08 0.40 -0.51 4.44 4.31 2k7zA4 PRO 346 HB2 -0.04 -0.02 0.05 -0.04 2.28 2.23 2k7zA4 PRO 346 HB3 -0.05 0.16 0.09 -0.04 2.02 2.18 2k7zA4 PRO 346 HG2 -0.03 0.02 -0.04 -0.04 2.03 1.93 2k7zA4 PRO 346 HG3 -0.03 0.05 -0.04 -0.04 2.03 1.97 2k7zA4 PRO 346 HD2 -0.04 0.15 -0.05 -0.04 3.68 3.70 2k7zA4 PRO 346 HD3 -0.04 0.13 -0.36 -0.04 3.65 3.34 2k7zA4 SER 347 H -0.07 0.09 -0.61 -0.55 8.46 7.33 2k7zA4 SER 347 HA -0.05 0.05 0.46 -0.75 4.49 4.19 2k7zA4 SER 347 HB2 -0.02 -0.01 0.13 -0.04 3.95 4.01 2k7zA4 SER 347 HB3 -0.01 0.07 0.15 -0.04 3.93 4.09 2k7zA4 LEU 348 H -0.08 0.38 0.31 -0.55 8.37 8.45 2k7zA4 LEU 348 HA -0.05 -0.00 0.25 -0.75 4.35 3.80 2k7zA4 LEU 348 HB2 0.02 0.19 0.00 -0.04 1.64 1.81 2k7zA4 LEU 348 HB3 0.00 0.00 0.08 -0.04 1.64 1.68 2k7zA4 LEU 348 HG -0.11 -0.14 -0.43 -0.04 1.64 0.92 2k7zA4 LEU 348 HD13 -0.54 0.01 -0.18 -0.04 0.93 0.18 2k7zA4 LEU 348 HD23 -0.13 0.03 -0.22 -0.04 0.89 0.53 2k7zA4 ALA 349 H -0.22 0.13 -0.46 -0.55 8.40 7.31 2k7zA4 ALA 349 HA -1.06 0.14 0.36 -0.75 4.34 3.02 2k7zA4 ALA 349 HB3 -0.31 0.01 -0.06 -0.04 1.41 1.01 2k7zA4 GLY 350 H -0.08 0.05 -0.07 -0.55 8.43 7.79 2k7zA4 GLY 350 HA2 0.01 0.07 0.40 -0.51 4.01 3.98 2k7zA4 GLY 350 HA3 -0.00 -0.07 0.29 -0.51 4.01 3.72 2k7zA4 LYS 351 H 0.06 0.26 -0.87 -0.55 8.42 7.32 2k7zA4 LYS 351 HA 0.06 0.04 0.72 -0.75 4.32 4.38 2k7zA4 LYS 351 HB2 0.23 0.26 0.05 -0.04 1.87 2.36 2k7zA4 LYS 351 HB3 0.17 0.04 -0.01 -0.04 1.79 1.94 2k7zA4 LYS 351 HG2 0.04 -0.18 -0.06 -0.04 1.46 1.22 2k7zA4 LYS 351 HG3 0.09 0.00 -0.02 -0.04 1.46 1.49 2k7zA4 LYS 351 HD2 0.08 0.11 0.04 -0.04 1.69 1.88 2k7zA4 LYS 351 HD3 0.05 -0.05 0.04 -0.04 1.68 1.67 2k7zA4 LYS 351 HE2 0.02 -0.11 -0.02 -0.04 2.99 2.85 2k7zA4 LYS 351 HE3 0.05 0.12 0.01 -0.04 2.99 3.12 2k7zA4 PRO 352 HA 0.04 0.25 0.52 -0.51 4.44 4.74 2k7zA4 PRO 352 HB2 -0.05 -0.07 0.00 -0.04 2.28 2.12 2k7zA4 PRO 352 HB3 0.01 -0.03 0.09 -0.04 2.02 2.05 2k7zA4 PRO 352 HG2 -0.12 -0.10 0.16 -0.04 2.03 1.92 2k7zA4 PRO 352 HG3 -0.03 -0.04 0.10 -0.04 2.03 2.02 2k7zA4 PRO 352 HD2 0.02 0.20 0.26 -0.04 3.68 4.12 2k7zA4 PRO 352 HD3 0.02 0.08 0.24 -0.04 3.65 3.95 2k7zA4 LYS 353 H -0.02 0.22 0.28 -0.55 8.42 8.35 2k7zA4 LYS 353 HA -0.49 0.12 0.67 -0.75 4.32 3.86 2k7zA4 LYS 353 HB2 -0.05 -0.06 0.03 -0.04 1.87 1.75 2k7zA4 LYS 353 HB3 -0.02 0.24 -0.22 -0.04 1.79 1.74 2k7zA4 LYS 353 HG2 0.11 0.12 -0.03 -0.04 1.46 1.62 2k7zA4 LYS 353 HG3 0.14 -0.09 0.18 -0.04 1.46 1.64 2k7zA4 LYS 353 HD2 0.25 -0.15 -0.09 -0.04 1.69 1.66 2k7zA4 LYS 353 HD3 0.07 -0.00 -0.34 -0.04 1.68 1.37 2k7zA4 LYS 353 HE2 0.02 -0.05 -0.08 -0.04 2.99 2.83 2k7zA4 LYS 353 HE3 -0.04 0.07 -0.07 -0.04 2.99 2.91 2k7zA4 VAL 354 H -0.16 0.26 0.24 -0.55 8.24 8.03 2k7zA4 VAL 354 HA -0.16 0.13 0.92 -0.75 4.13 4.26 2k7zA4 VAL 354 HB -0.28 -0.03 0.16 -0.04 2.12 1.93 2k7zA4 VAL 354 HG13 -0.99 -0.02 -0.19 -0.04 0.97 -0.27 2k7zA4 VAL 354 HG23 -0.10 0.05 -0.17 -0.04 0.95 0.69 2k7zA4 PHE 355 H -0.10 0.47 0.12 -0.55 8.34 8.28 2k7zA4 PHE 355 HA -0.16 0.30 0.95 -0.75 4.62 4.96 2k7zA4 PHE 355 HB2 -0.02 0.05 0.03 -0.04 3.15 3.16 2k7zA4 PHE 355 HB3 -0.02 0.15 0.34 -0.04 3.06 3.49 2k7zA4 PHE 355 HD2 -0.02 0.15 0.13 -0.04 7.28 7.49 2k7zA4 PHE 355 HE2 -0.20 0.06 0.02 -0.04 7.38 7.22 2k7zA4 PHE 355 HZ -0.13 0.05 0.02 -0.04 7.32 7.22 2k7zA4 PHE 356 H -0.10 0.26 -0.01 -0.55 8.34 7.94 2k7zA4 PHE 356 HA -0.25 0.04 0.82 -0.75 4.62 4.48 2k7zA4 PHE 356 HB2 0.01 -0.00 0.10 -0.04 3.15 3.22 2k7zA4 PHE 356 HB3 -0.05 0.09 -0.01 -0.04 3.06 3.04 2k7zA4 PHE 356 HD2 0.03 0.01 -0.08 -0.04 7.28 7.20 2k7zA4 PHE 356 HE2 -0.04 0.04 -0.12 -0.04 7.38 7.22 2k7zA4 PHE 356 HZ -0.31 0.01 -0.11 -0.04 7.32 6.87 2k7zA4 ILE 357 H -0.45 0.06 0.19 -0.55 8.25 7.50 2k7zA4 ILE 357 HA -0.35 0.17 0.65 -0.75 4.18 3.89 2k7zA4 ILE 357 HB -0.59 -0.00 0.17 -0.04 1.89 1.42 2k7zA4 ILE 357 HG12 -0.11 0.06 0.03 -0.04 1.49 1.42 2k7zA4 ILE 357 HG13 -0.10 -0.28 0.06 -0.04 1.21 0.85 2k7zA4 ILE 357 HG23 -0.12 -0.02 -0.11 -0.04 0.93 0.64 2k7zA4 ILE 357 HD13 0.00 0.06 0.08 -0.04 0.88 0.98 2k7zA4 GLN 358 H -0.05 0.23 0.12 -0.55 8.47 8.23 2k7zA4 GLN 358 HA -0.03 0.19 0.77 -0.75 4.36 4.54 2k7zA4 GLN 358 HB2 0.02 0.06 -0.03 -0.04 2.15 2.16 2k7zA4 GLN 358 HB3 0.01 0.01 0.08 -0.04 2.02 2.08 2k7zA4 GLN 358 HG2 -0.00 -0.01 0.16 -0.04 2.40 2.51 2k7zA4 GLN 358 HG3 0.01 0.03 0.03 -0.04 2.39 2.42 2k7zA4 GLN 358 HE21 0.01 -0.02 0.09 -0.04 6.97 7.01 2k7zA4 GLN 358 HE22 0.03 0.04 0.06 -0.04 7.69 7.78 2k7zA4 ALA 359 H -0.06 0.06 -0.20 -0.55 8.40 7.65 2k7zA4 ALA 359 HA -0.04 0.16 0.63 -0.75 4.34 4.34 2k7zA4 ALA 359 HB3 -0.04 0.02 0.10 -0.04 1.41 1.45 2k7zA4 ALA 360 H -0.07 0.08 -0.46 -0.55 8.40 7.42 2k7zA4 ALA 360 HA -0.19 0.08 0.55 -0.75 4.34 4.03 2k7zA4 ALA 360 HB3 -0.03 0.00 0.01 -0.04 1.41 1.35 2k7zA4 GLN 361 H -0.55 0.33 0.24 -0.55 8.47 7.95 2k7zA4 GLN 361 HA -0.24 0.04 0.42 -0.75 4.36 3.83 2k7zA4 GLN 361 HB2 -0.18 -0.06 0.01 -0.04 2.15 1.88 2k7zA4 GLN 361 HB3 -0.16 0.13 -0.27 -0.04 2.02 1.68 2k7zA4 GLN 361 HG2 -0.30 0.02 -0.13 -0.04 2.40 1.95 2k7zA4 GLN 361 HG3 -0.28 0.06 -0.42 -0.04 2.39 1.70 2k7zA4 GLN 361 HE21 -0.13 0.01 -0.06 -0.04 6.97 6.75 2k7zA4 GLN 361 HE22 -0.09 -0.04 -0.05 -0.04 7.69 7.47 2k7zA4 GLY 362 H -0.26 0.13 0.05 -0.55 8.43 7.80 2k7zA4 GLY 362 HA2 -1.06 0.20 0.87 -0.51 4.01 3.51 2k7zA4 GLY 362 HA3 -0.16 -0.04 0.41 -0.51 4.01 3.70 2k7zA4 ASP 363 H -0.06 0.07 0.14 -0.55 8.40 8.00 2k7zA4 ASP 363 HA 0.02 0.09 0.53 -0.75 4.63 4.51 2k7zA4 ASP 363 HB2 0.01 0.05 0.15 -0.04 2.71 2.88 2k7zA4 ASP 363 HB3 -0.01 -0.01 0.20 -0.04 2.70 2.84 2k7zA4 ASN 364 H 0.01 0.23 0.25 -0.55 8.53 8.47 2k7zA4 ASN 364 HA -0.05 0.15 0.68 -0.75 4.76 4.78 2k7zA4 ASN 364 HB2 -0.04 -0.02 0.12 -0.04 2.88 2.90 2k7zA4 ASN 364 HB3 -0.06 0.09 0.02 -0.04 2.79 2.79 2k7zA4 ASN 364 HD21 0.01 -0.02 0.02 -0.04 7.03 7.01 2k7zA4 ASN 364 HD22 0.06 0.01 -0.03 -0.04 7.74 7.73 2k7zA4 TYR 365 H 0.13 0.02 -0.25 -0.55 8.29 7.64 2k7zA4 TYR 365 HA -0.02 0.10 0.58 -0.75 4.56 4.46 2k7zA4 TYR 365 HB2 -0.01 -0.03 0.06 -0.04 3.06 3.04 2k7zA4 TYR 365 HB3 -0.02 -0.03 0.07 -0.04 2.98 2.97 2k7zA4 TYR 365 HD2 -0.01 -0.05 -0.09 -0.04 7.15 6.96 2k7zA4 TYR 365 HE2 -0.00 -0.02 -0.03 -0.04 6.85 6.75 2k7zA4 GLN 366 H -0.34 0.19 0.17 -0.55 8.47 7.95 2k7zA4 GLN 366 HA -0.16 0.09 0.70 -0.75 4.36 4.23 2k7zA4 GLN 366 HB2 -0.15 0.07 0.06 -0.04 2.15 2.08 2k7zA4 GLN 366 HB3 -0.21 0.03 0.01 -0.04 2.02 1.81 2k7zA4 GLN 366 HG2 -0.11 0.03 -0.01 -0.04 2.40 2.26 2k7zA4 GLN 366 HG3 -0.13 -0.17 -0.02 -0.04 2.39 2.03 2k7zA4 GLN 366 HE21 -0.12 0.03 -0.03 -0.04 6.97 6.81 2k7zA4 GLN 366 HE22 -0.17 0.00 -0.03 -0.04 7.69 7.45 2k7zA4 LYS 367 H -0.13 0.11 0.12 -0.55 8.42 7.97 2k7zA4 LYS 367 HA -0.10 0.06 0.39 -0.75 4.32 3.92 2k7zA4 LYS 367 HB2 -0.04 -0.02 0.13 -0.04 1.87 1.91 2k7zA4 LYS 367 HB3 -0.06 -0.10 0.11 -0.04 1.79 1.70 2k7zA4 LYS 367 HG2 -0.02 0.25 -0.10 -0.04 1.46 1.55 2k7zA4 LYS 367 HG3 0.00 -0.04 0.04 -0.04 1.46 1.42 2k7zA4 LYS 367 HD2 -0.02 -0.02 -0.06 -0.04 1.69 1.55 2k7zA4 LYS 367 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.61 2k7zA4 LYS 367 HE2 0.01 -0.00 0.01 -0.04 2.99 2.96 2k7zA4 LYS 367 HE3 -0.01 -0.03 0.02 -0.04 2.99 2.93 2k7zA4 GLY 368 H -0.11 -0.07 -0.14 -0.55 8.43 7.57 2k7zA4 GLY 368 HA2 -0.08 -0.04 0.30 -0.51 4.01 3.69 2k7zA4 GLY 368 HA3 -0.09 0.15 0.44 -0.51 4.01 3.99 2k7zA4 ILE 369 H -0.04 0.25 0.15 -0.55 8.25 8.06 2k7zA4 ILE 369 HA -0.02 0.21 0.68 -0.75 4.18 4.29 2k7zA4 ILE 369 HB -0.01 -0.10 0.07 -0.04 1.89 1.81 2k7zA4 ILE 369 HG12 -0.01 0.01 -0.09 -0.04 1.49 1.35 2k7zA4 ILE 369 HG13 -0.03 -0.10 -0.17 -0.04 1.21 0.88 2k7zA4 ILE 369 HG23 -0.01 0.00 -0.07 -0.04 0.93 0.82 2k7zA4 ILE 369 HD13 -0.02 0.01 -0.14 -0.04 0.88 0.68 2k7zA4 PRO 370 HA -0.01 0.13 0.54 -0.51 4.44 4.59 2k7zA4 PRO 370 HB2 -0.00 0.01 0.03 -0.04 2.28 2.28 2k7zA4 PRO 370 HB3 -0.00 0.02 0.10 -0.04 2.02 2.10 2k7zA4 PRO 370 HG2 -0.00 0.01 0.03 -0.04 2.03 2.03 2k7zA4 PRO 370 HG3 -0.00 0.04 0.06 -0.04 2.03 2.09 2k7zA4 PRO 370 HD2 -0.01 0.07 0.23 -0.04 3.68 3.94 2k7zA4 PRO 370 HD3 -0.01 0.17 0.14 -0.04 3.65 3.92 2k7zA4 VAL 371 H -0.01 -0.02 -0.25 -0.55 8.24 7.42 2k7zA4 VAL 371 HA -0.00 0.09 0.63 -0.75 4.13 4.09 2k7zA4 VAL 371 HB 0.00 -0.04 0.13 -0.04 2.12 2.17 2k7zA4 VAL 371 HG13 0.00 -0.01 0.01 -0.04 0.97 0.93 2k7zA4 VAL 371 HG23 -0.00 0.04 -0.09 -0.04 0.95 0.85 2k7zA4 GLU 372 H 0.00 0.04 0.11 -0.55 8.60 8.21 2k7zA4 GLU 372 HA -0.01 0.20 0.71 -0.75 4.29 4.44 2k7zA4 GLU 372 HB2 0.01 -0.04 0.13 -0.04 2.09 2.15 2k7zA4 GLU 372 HB3 0.02 0.08 0.09 -0.04 1.99 2.13 2k7zA4 GLU 372 HG2 0.01 -0.03 0.15 -0.04 2.34 2.43 2k7zA4 GLU 372 HG3 -0.00 0.08 0.12 -0.04 2.34 2.50 2k7zA4 THR 373 H -0.02 0.13 0.13 -0.55 8.28 7.98 2k7zA4 THR 373 HA -0.02 0.02 0.38 -0.75 4.39 4.01 2k7zA4 THR 373 HB -0.02 0.01 0.04 -0.04 4.32 4.32 2k7zA4 THR 373 HG23 -0.05 -0.05 0.04 -0.04 1.22 1.13 2k7zA4 ASP 374 H -0.01 0.05 0.11 -0.55 8.40 8.00 2k7zA4 ASP 374 HA 0.01 0.09 0.58 -0.75 4.63 4.56 2k7zA4 ASP 374 HB2 0.01 -0.02 0.10 -0.04 2.71 2.76 2k7zA4 ASP 374 HB3 0.02 0.06 -0.14 -0.04 2.70 2.59 2k7zA4 SER 375 H 0.01 0.07 0.11 -0.55 8.46 8.11 2k7zA4 SER 375 HA 0.01 0.02 0.25 -0.75 4.49 4.02 2k7zA4 SER 375 HB2 0.02 -0.04 0.15 -0.04 3.95 4.05 2k7zA4 SER 375 HB3 0.01 0.04 0.02 -0.04 3.93 3.96 2k7zA4 GLU 376 H 0.02 0.10 0.06 -0.55 8.60 8.23 2k7zA4 GLU 376 HA -0.00 0.10 0.85 -0.75 4.29 4.48 2k7zA4 GLU 376 HB2 0.02 0.06 0.05 -0.04 2.09 2.18 2k7zA4 GLU 376 HB3 0.00 0.08 0.03 -0.04 1.99 2.06 2k7zA4 GLU 376 HG2 0.07 0.09 -0.08 -0.04 2.34 2.39 2k7zA4 GLU 376 HG3 0.11 -0.18 0.05 -0.04 2.34 2.28 2k7zA4 GLU 377 H -0.00 0.12 0.08 -0.55 8.60 8.26 2k7zA4 GLU 377 HA 0.01 0.10 0.54 -0.75 4.29 4.18 2k7zA4 GLU 377 HB2 -0.00 0.02 0.13 -0.04 2.09 2.19 2k7zA4 GLU 377 HB3 -0.00 0.05 -0.02 -0.04 1.99 1.98 2k7zA4 GLU 377 HG2 0.00 0.00 0.06 -0.04 2.34 2.37 2k7zA4 GLU 377 HG3 0.00 -0.09 0.15 -0.04 2.34 2.36 2k7zA4 GLN 378 H -0.00 0.06 0.09 -0.55 8.47 8.07 2k7zA4 GLN 378 HA -0.02 0.04 0.35 -0.75 4.36 3.98 2k7zA4 GLN 378 HB2 -0.00 -0.04 0.14 -0.04 2.15 2.21 2k7zA4 GLN 378 HB3 -0.01 0.03 -0.02 -0.04 2.02 1.99 2k7zA4 GLN 378 HG2 -0.01 0.00 0.03 -0.04 2.40 2.39 2k7zA4 GLN 378 HG3 -0.03 0.02 0.06 -0.04 2.39 2.41 2k7zA4 GLN 378 HE21 -0.02 0.02 0.02 -0.04 6.97 6.95 2k7zA4 GLN 378 HE22 -0.01 -0.00 0.02 -0.04 7.69 7.66 2k7zA4 PRO 379 HA 0.09 0.08 0.63 -0.51 4.44 4.73 2k7zA4 PRO 379 HB2 -0.07 0.09 0.13 -0.04 2.28 2.39 2k7zA4 PRO 379 HB3 0.00 -0.02 0.08 -0.04 2.02 2.05 2k7zA4 PRO 379 HG2 -0.02 0.03 0.05 -0.04 2.03 2.04 2k7zA4 PRO 379 HG3 -0.01 -0.01 0.04 -0.04 2.03 2.00 2k7zA4 PRO 379 HD2 0.00 -0.06 -0.11 -0.04 3.68 3.47 2k7zA4 PRO 379 HD3 0.01 0.09 0.05 -0.04 3.65 3.75 2k7zA4 TYR 380 H 0.23 0.42 0.04 -0.55 8.29 8.43 2k7zA4 TYR 380 HA -0.04 0.05 0.40 -0.75 4.56 4.22 2k7zA4 TYR 380 HB2 -0.03 -0.07 0.11 -0.04 3.06 3.03 2k7zA4 TYR 380 HB3 -0.02 0.12 0.08 -0.04 2.98 3.12 2k7zA4 TYR 380 HD2 -0.02 -0.04 -0.04 -0.04 7.15 7.01 2k7zA4 TYR 380 HE2 -0.01 -0.01 -0.05 -0.04 6.85 6.74 2k7zA4 LEU 381 H -0.16 0.17 0.08 -0.55 8.37 7.92 2k7zA4 LEU 381 HA -0.26 0.14 0.89 -0.75 4.35 4.36 2k7zA4 LEU 381 HB2 -0.14 -0.01 0.02 -0.04 1.64 1.47 2k7zA4 LEU 381 HB3 -0.14 0.03 0.01 -0.04 1.64 1.50 2k7zA4 LEU 381 HG -0.07 -0.05 0.03 -0.04 1.64 1.51 2k7zA4 LEU 381 HD13 -0.09 0.00 -0.01 -0.04 0.93 0.79 2k7zA4 LEU 381 HD23 -0.08 0.02 -0.16 -0.04 0.89 0.63 2k7zA4 GLU 382 H -0.38 0.17 0.07 -0.55 8.60 7.92 2k7zA4 GLU 382 HA -0.39 0.07 0.48 -0.75 4.29 3.69 2k7zA4 GLU 382 HB2 -0.14 -0.01 0.17 -0.04 2.09 2.06 2k7zA4 GLU 382 HB3 -0.13 0.02 0.03 -0.04 1.99 1.87 2k7zA4 GLU 382 HG2 -0.40 0.00 -0.03 -0.04 2.34 1.87 2k7zA4 GLU 382 HG3 -0.32 0.01 0.03 -0.04 2.34 2.02 2k7zA4 MET 383 H -0.12 0.25 0.15 -0.55 8.47 8.20 2k7zA4 MET 383 HA -0.08 0.06 0.32 -0.75 4.52 4.07 2k7zA4 MET 383 HB2 -0.04 0.00 0.14 -0.04 2.15 2.21 2k7zA4 MET 383 HB3 -0.06 0.16 0.11 -0.04 2.03 2.21 2k7zA4 MET 383 HG2 -0.06 -0.12 -0.36 -0.04 2.63 2.06 2k7zA4 MET 383 HG3 -0.04 0.03 -0.21 -0.04 2.56 2.30 2k7zA4 MET 383 HE3 -0.01 -0.02 -0.07 -0.04 2.10 1.96 2k7zA4 ASP 384 H -0.05 0.16 0.12 -0.55 8.40 8.08 2k7zA4 ASP 384 HA -0.03 0.17 0.73 -0.75 4.63 4.75 2k7zA4 ASP 384 HB2 -0.02 -0.10 0.13 -0.04 2.71 2.68 2k7zA4 ASP 384 HB3 -0.04 0.01 -0.02 -0.04 2.70 2.61 2k7zA4 LEU 385 H -0.01 0.07 0.06 -0.55 8.37 7.94 2k7zA4 LEU 385 HA 0.00 0.10 0.48 -0.75 4.35 4.18 2k7zA4 LEU 385 HB2 0.01 -0.14 -0.04 -0.04 1.64 1.44 2k7zA4 LEU 385 HB3 0.01 0.06 0.07 -0.04 1.64 1.75 2k7zA4 LEU 385 HG 0.02 -0.01 -0.08 -0.04 1.64 1.52 2k7zA4 LEU 385 HD13 0.01 0.01 -0.05 -0.04 0.93 0.86 2k7zA4 LEU 385 HD23 -0.00 0.00 -0.23 -0.04 0.89 0.62 2k7zA4 SER 386 H 0.01 0.08 0.07 -0.55 8.46 8.07 2k7zA4 SER 386 HA 0.00 0.20 0.68 -0.75 4.49 4.62 2k7zA4 SER 386 HB2 0.01 -0.05 0.09 -0.04 3.95 3.96 2k7zA4 SER 386 HB3 0.01 0.03 0.02 -0.04 3.93 3.95 2k7zA4 SER 387 H 0.02 -0.05 -0.13 -0.55 8.46 7.75 2k7zA4 SER 387 HA 0.02 0.05 0.33 -0.75 4.49 4.14 2k7zA4 SER 387 HB2 0.02 0.03 -0.28 -0.04 3.95 3.68 2k7zA4 SER 387 HB3 0.03 -0.01 -0.05 -0.04 3.93 3.86 2k7zA4 PRO 388 HA 0.04 0.15 0.46 -0.51 4.44 4.58 2k7zA4 PRO 388 HB2 0.02 0.05 0.18 -0.04 2.28 2.49 2k7zA4 PRO 388 HB3 0.03 0.05 0.10 -0.04 2.02 2.16 2k7zA4 PRO 388 HG2 0.02 -0.01 0.11 -0.04 2.03 2.11 2k7zA4 PRO 388 HG3 0.02 0.07 0.07 -0.04 2.03 2.15 2k7zA4 PRO 388 HD2 0.02 -0.06 0.09 -0.04 3.68 3.68 2k7zA4 PRO 388 HD3 0.02 0.19 0.07 -0.04 3.65 3.89 2k7zA4 GLN 389 H 0.04 0.56 0.16 -0.55 8.47 8.69 2k7zA4 GLN 389 HA 0.04 0.07 0.58 -0.75 4.36 4.29 2k7zA4 GLN 389 HB2 0.04 0.06 0.04 -0.04 2.15 2.25 2k7zA4 GLN 389 HB3 0.06 0.08 -0.10 -0.04 2.02 2.02 2k7zA4 GLN 389 HG2 0.05 -0.13 0.18 -0.04 2.40 2.46 2k7zA4 GLN 389 HG3 0.03 0.02 0.05 -0.04 2.39 2.46 2k7zA4 GLN 389 HE21 0.09 0.32 0.07 -0.04 6.97 7.41 2k7zA4 GLN 389 HE22 0.09 -0.08 0.13 -0.04 7.69 7.79 2k7zA4 THR 390 H 0.06 0.05 0.11 -0.55 8.28 7.95 2k7zA4 THR 390 HA 0.06 0.04 0.53 -0.75 4.39 4.27 2k7zA4 THR 390 HB 0.11 0.10 0.07 -0.04 4.32 4.56 2k7zA4 THR 390 HG23 0.03 0.01 0.05 -0.04 1.22 1.27 2k7zA4 ARG 391 H 0.08 0.17 0.27 -0.55 8.46 8.43 2k7zA4 ARG 391 HA 0.15 0.06 0.47 -0.75 4.34 4.27 2k7zA4 ARG 391 HB2 0.09 -0.02 0.05 -0.04 1.90 1.98 2k7zA4 ARG 391 HB3 0.12 -0.00 0.03 -0.04 1.80 1.91 2k7zA4 ARG 391 HG2 0.08 0.16 0.09 -0.04 1.67 1.95 2k7zA4 ARG 391 HG3 0.07 0.01 0.03 -0.04 1.67 1.74 2k7zA4 ARG 391 HD2 0.11 -0.02 0.03 -0.04 3.22 3.29 2k7zA4 ARG 391 HD3 0.08 0.01 0.01 -0.04 3.22 3.28 2k7zA4 TYR 392 H 0.24 0.23 0.06 -0.55 8.29 8.27 2k7zA4 TYR 392 HA 0.23 0.07 0.75 -0.75 4.56 4.85 2k7zA4 TYR 392 HB2 0.13 0.03 -0.13 -0.04 3.06 3.05 2k7zA4 TYR 392 HB3 0.13 0.00 0.13 -0.04 2.98 3.20 2k7zA4 TYR 392 HD2 0.11 0.04 -0.13 -0.04 7.15 7.12 2k7zA4 TYR 392 HE2 0.02 -0.02 -0.06 -0.04 6.85 6.76 2k7zA4 ILE 393 H -0.01 0.13 -0.13 -0.55 8.25 7.69 2k7zA4 ILE 393 HA 0.11 0.14 0.39 -0.75 4.18 4.07 2k7zA4 ILE 393 HB 0.13 0.16 0.13 -0.04 1.89 2.27 2k7zA4 ILE 393 HG12 0.08 -0.03 0.01 -0.04 1.49 1.52 2k7zA4 ILE 393 HG13 0.08 -0.01 -0.10 -0.04 1.21 1.14 2k7zA4 ILE 393 HG23 0.08 -0.02 -0.08 -0.04 0.93 0.87 2k7zA4 ILE 393 HD13 0.14 0.05 0.06 -0.04 0.88 1.09 2k7zA4 PRO 394 HA 0.12 0.10 0.74 -0.51 4.44 4.90 2k7zA4 PRO 394 HB2 -0.22 -0.03 0.01 -0.04 2.28 1.99 2k7zA4 PRO 394 HB3 -0.38 0.01 0.08 -0.04 2.02 1.69 2k7zA4 PRO 394 HG2 -0.20 0.09 -0.01 -0.04 2.03 1.86 2k7zA4 PRO 394 HG3 -0.31 0.04 -0.01 -0.04 2.03 1.70 2k7zA4 PRO 394 HD2 0.09 0.19 0.12 -0.04 3.68 4.03 2k7zA4 PRO 394 HD3 -0.82 0.02 0.00 -0.04 3.65 2.82 2k7zA4 ASP 395 H 0.02 0.10 0.09 -0.55 8.40 8.06 2k7zA4 ASP 395 HA 0.04 0.23 0.65 -0.75 4.63 4.79 2k7zA4 ASP 395 HB2 0.01 -0.05 0.10 -0.04 2.71 2.73 2k7zA4 ASP 395 HB3 0.01 0.02 0.18 -0.04 2.70 2.87 2k7zA4 GLU 396 H -0.14 0.02 -0.50 -0.55 8.60 7.43 2k7zA4 GLU 396 HA -0.06 0.12 0.62 -0.75 4.29 4.22 2k7zA4 GLU 396 HB2 -0.21 0.06 0.10 -0.04 2.09 2.00 2k7zA4 GLU 396 HB3 -0.23 -0.08 0.01 -0.04 1.99 1.65 2k7zA4 GLU 396 HG2 -1.07 -0.03 -0.14 -0.04 2.34 1.06 2k7zA4 GLU 396 HG3 -1.38 0.07 -0.24 -0.04 2.34 0.75 2k7zA4 ALA 397 H 0.01 0.27 0.17 -0.55 8.40 8.31 2k7zA4 ALA 397 HA 0.41 0.20 0.63 -0.75 4.34 4.82 2k7zA4 ALA 397 HB3 0.11 0.01 -0.01 -0.04 1.41 1.47 2k7zA4 ASP 398 H 0.21 0.47 0.38 -0.55 8.40 8.92 2k7zA4 ASP 398 HA 0.13 -0.21 0.54 -0.75 4.63 4.34 2k7zA4 ASP 398 HB2 0.10 -0.07 -0.05 -0.04 2.71 2.65 2k7zA4 ASP 398 HB3 0.12 0.21 0.25 -0.04 2.70 3.24 2k7zA4 PHE 399 H 0.30 0.31 0.03 -0.55 8.34 8.43 2k7zA4 PHE 399 HA 0.04 0.19 0.86 -0.75 4.62 4.95 2k7zA4 PHE 399 HB2 0.06 -0.02 -0.01 -0.04 3.15 3.13 2k7zA4 PHE 399 HB3 0.07 0.13 -0.35 -0.04 3.06 2.87 2k7zA4 PHE 399 HD2 0.09 -0.06 -0.29 -0.04 7.28 6.98 2k7zA4 PHE 399 HE2 0.12 0.12 -0.17 -0.04 7.38 7.40 2k7zA4 PHE 399 HZ 0.08 0.10 -0.07 -0.04 7.32 7.40 2k7zA4 LEU 400 H 0.10 0.34 0.19 -0.55 8.37 8.46 2k7zA4 LEU 400 HA -0.27 0.10 0.88 -0.75 4.35 4.32 2k7zA4 LEU 400 HB2 -0.07 0.03 -0.12 -0.04 1.64 1.44 2k7zA4 LEU 400 HB3 -0.11 -0.07 0.22 -0.04 1.64 1.64 2k7zA4 LEU 400 HG -0.11 -0.04 -0.08 -0.04 1.64 1.37 2k7zA4 LEU 400 HD13 -0.10 0.00 -0.31 -0.04 0.93 0.48 2k7zA4 LEU 400 HD23 -0.05 0.02 0.08 -0.04 0.89 0.89 2k7zA4 LEU 401 H -0.11 0.26 0.14 -0.55 8.37 8.11 2k7zA4 LEU 401 HA 0.11 0.14 0.94 -0.75 4.35 4.78 2k7zA4 LEU 401 HB2 0.21 -0.07 0.09 -0.04 1.64 1.84 2k7zA4 LEU 401 HB3 0.39 -0.00 -0.07 -0.04 1.64 1.91 2k7zA4 LEU 401 HG 0.09 0.18 -0.15 -0.04 1.64 1.72 2k7zA4 LEU 401 HD13 0.33 -0.01 -0.01 -0.04 0.93 1.21 2k7zA4 LEU 401 HD23 -0.11 -0.00 -0.08 -0.04 0.89 0.65 2k7zA4 GLY 402 H -0.28 0.50 0.36 -0.55 8.43 8.46 2k7zA4 GLY 402 HA2 0.04 0.11 0.52 -0.51 4.01 4.17 2k7zA4 GLY 402 HA3 -0.08 -0.17 0.48 -0.51 4.01 3.73 2k7zA4 MET 403 H -0.12 0.02 0.04 -0.55 8.47 7.86 2k7zA4 MET 403 HA 0.05 -0.01 0.51 -0.75 4.52 4.31 2k7zA4 MET 403 HB2 0.07 0.05 -0.01 -0.04 2.15 2.22 2k7zA4 MET 403 HB3 -0.03 -0.05 0.08 -0.04 2.03 1.99 2k7zA4 MET 403 HG2 -0.10 -0.11 0.11 -0.04 2.63 2.49 2k7zA4 MET 403 HG3 0.09 0.11 0.04 -0.04 2.56 2.75 2k7zA4 MET 403 HE3 -0.38 -0.01 0.03 -0.04 2.10 1.69 2k7zA4 ALA 404 H 0.14 0.08 0.13 -0.55 8.40 8.20 2k7zA4 ALA 404 HA 0.09 0.23 0.67 -0.75 4.34 4.57 2k7zA4 ALA 404 HB3 0.09 0.04 0.07 -0.04 1.41 1.57 2k7zA4 PRO 415 HA 0.00 -0.10 0.18 -0.51 4.44 4.01 2k7zA4 PRO 415 HB2 0.00 -0.02 0.07 -0.04 2.28 2.29 2k7zA4 PRO 415 HB3 0.00 0.00 0.05 -0.04 2.02 2.04 2k7zA4 PRO 415 HG2 -0.00 0.02 0.10 -0.04 2.03 2.11 2k7zA4 PRO 415 HG3 -0.00 0.02 0.05 -0.04 2.03 2.05 2k7zA4 PRO 415 HD2 -0.00 0.02 0.01 -0.04 3.68 3.66 2k7zA4 PRO 415 HD3 -0.00 0.01 0.03 -0.04 3.65 3.65 2k7zA4 ALA 416 H -0.00 0.11 0.11 -0.55 8.40 8.07 2k7zA4 ALA 416 HA 0.01 0.23 0.80 -0.75 4.34 4.62 2k7zA4 ALA 416 HB3 -0.02 0.02 0.09 -0.04 1.41 1.45 2k7zA4 GLU 417 H -0.00 0.04 0.05 -0.55 8.60 8.15 2k7zA4 GLU 417 HA 0.01 0.18 0.61 -0.75 4.29 4.33 2k7zA4 GLU 417 HB2 0.00 0.02 0.16 -0.04 2.09 2.24 2k7zA4 GLU 417 HB3 -0.01 0.02 0.06 -0.04 1.99 2.02 2k7zA4 GLU 417 HG2 -0.01 -0.06 0.06 -0.04 2.34 2.30 2k7zA4 GLU 417 HG3 -0.00 0.02 -0.09 -0.04 2.34 2.22 2k7zA4 GLY 418 H 0.03 0.17 -0.80 -0.55 8.43 7.28 2k7zA4 GLY 418 HA2 0.00 -0.01 0.38 -0.51 4.01 3.88 2k7zA4 GLY 418 HA3 0.02 0.09 0.16 -0.51 4.01 3.77 2k7zA4 THR 419 H -0.03 0.10 0.18 -0.55 8.28 7.98 2k7zA4 THR 419 HA 0.13 0.05 0.67 -0.75 4.39 4.49 2k7zA4 THR 419 HB -0.03 0.02 0.06 -0.04 4.32 4.33 2k7zA4 THR 419 HG23 0.00 0.02 0.03 -0.04 1.22 1.23 2k7zA4 TRP 420 H 0.25 0.06 0.17 -0.55 7.97 7.91 2k7zA4 TRP 420 HA -0.19 0.23 0.69 -0.75 4.62 4.60 2k7zA4 TRP 420 HB2 -0.05 -0.07 -0.01 -0.04 3.23 3.06 2k7zA4 TRP 420 HB3 -0.01 -0.07 0.01 -0.04 3.23 3.12 2k7zA4 TRP 420 HD1 -0.05 -0.06 -0.14 -0.04 7.22 6.93 2k7zA4 TRP 420 HE1 0.00 0.06 0.04 -0.04 10.20 10.27 2k7zA4 TRP 420 HE3 0.03 -0.12 0.03 -0.04 7.59 7.48 2k7zA4 TRP 420 HZ2 0.02 0.02 0.06 -0.04 7.44 7.50 2k7zA4 TRP 420 HZ3 0.03 -0.07 0.06 -0.04 7.13 7.10 2k7zA4 TRP 420 HH2 0.03 -0.01 0.05 -0.04 7.19 7.22 2k7zA4 TYR 421 H 0.14 0.27 0.14 -0.55 8.29 8.29 2k7zA4 TYR 421 HA 0.05 0.14 0.38 -0.75 4.56 4.38 2k7zA4 TYR 421 HB2 -0.00 0.08 0.12 -0.04 3.06 3.22 2k7zA4 TYR 421 HB3 0.00 -0.05 0.16 -0.04 2.98 3.05 2k7zA4 TYR 421 HD2 -0.07 -0.01 0.03 -0.04 7.15 7.07 2k7zA4 TYR 421 HE2 -0.07 0.01 -0.01 -0.04 6.85 6.74 2k7zA4 ILE 422 H 0.22 0.13 -0.63 -0.55 8.25 7.42 2k7zA4 ILE 422 HA 0.09 0.15 0.71 -0.75 4.18 4.37 2k7zA4 ILE 422 HB 0.10 0.04 -0.06 -0.04 1.89 1.93 2k7zA4 ILE 422 HG12 0.46 -0.09 -0.05 -0.04 1.49 1.77 2k7zA4 ILE 422 HG13 0.30 0.04 -0.02 -0.04 1.21 1.48 2k7zA4 ILE 422 HG23 0.03 0.01 0.03 -0.04 0.93 0.96 2k7zA4 ILE 422 HD13 0.20 0.04 -0.05 -0.04 0.88 1.03 2k7zA4 GLN 423 H 0.06 0.23 -0.02 -0.55 8.47 8.20 2k7zA4 GLN 423 HA -0.00 0.10 0.41 -0.75 4.36 4.11 2k7zA4 GLN 423 HB2 0.01 0.07 0.09 -0.04 2.15 2.27 2k7zA4 GLN 423 HB3 -0.00 0.06 0.05 -0.04 2.02 2.09 2k7zA4 GLN 423 HG2 0.00 -0.09 0.05 -0.04 2.40 2.33 2k7zA4 GLN 423 HG3 -0.00 0.03 0.05 -0.04 2.39 2.43 2k7zA4 GLN 423 HE21 -0.01 0.01 0.03 -0.04 6.97 6.97 2k7zA4 GLN 423 HE22 -0.01 0.03 0.03 -0.04 7.69 7.70 2k7zA4 SER 424 H 0.04 0.06 -0.67 -0.55 8.46 7.35 2k7zA4 SER 424 HA -0.00 0.18 0.70 -0.75 4.49 4.62 2k7zA4 SER 424 HB2 0.07 0.08 -0.03 -0.04 3.95 4.03 2k7zA4 SER 424 HB3 0.02 0.05 0.06 -0.04 3.93 4.02 2k7zA4 LEU 425 H 0.01 0.29 -0.22 -0.55 8.37 7.90 2k7zA4 LEU 425 HA -0.04 0.11 0.57 -0.75 4.35 4.23 2k7zA4 LEU 425 HB2 0.01 0.02 0.26 -0.04 1.64 1.89 2k7zA4 LEU 425 HB3 -0.02 0.13 0.31 -0.04 1.64 2.02 2k7zA4 LEU 425 HG -0.13 0.05 -0.15 -0.04 1.64 1.37 2k7zA4 LEU 425 HD13 -0.11 0.02 0.04 -0.04 0.93 0.84 2k7zA4 LEU 425 HD23 -0.03 0.02 0.09 -0.04 0.89 0.93 2k7zA4 CYS 426 H -0.06 0.33 -0.00 -0.55 8.50 8.23 2k7zA4 CYS 426 HA -0.16 0.07 0.34 -0.75 4.58 4.08 2k7zA4 CYS 426 HB2 -0.09 0.06 0.01 -0.04 2.97 2.91 2k7zA4 CYS 426 HB3 -0.08 0.00 0.08 -0.04 2.97 2.93 2k7zA4 GLN 427 H -0.05 0.10 -0.43 -0.55 8.47 7.54 2k7zA4 GLN 427 HA -0.07 0.11 0.52 -0.75 4.36 4.16 2k7zA4 GLN 427 HB2 -0.04 0.01 0.06 -0.04 2.15 2.14 2k7zA4 GLN 427 HB3 -0.04 0.01 0.06 -0.04 2.02 2.01 2k7zA4 GLN 427 HG2 -0.03 -0.03 0.04 -0.04 2.40 2.33 2k7zA4 GLN 427 HG3 -0.03 0.05 -0.19 -0.04 2.39 2.18 2k7zA4 GLN 427 HE21 -0.01 0.48 0.21 -0.04 6.97 7.61 2k7zA4 GLN 427 HE22 -0.01 -0.08 -0.03 -0.04 7.69 7.54 2k7zA4 SER 428 H -0.06 0.29 -0.30 -0.55 8.46 7.84 2k7zA4 SER 428 HA -0.06 0.10 0.57 -0.75 4.49 4.35 2k7zA4 SER 428 HB2 -0.05 -0.02 0.06 -0.04 3.95 3.89 2k7zA4 SER 428 HB3 -0.04 0.06 0.12 -0.04 3.93 4.03 2k7zA4 LEU 429 H -0.13 0.63 -0.01 -0.55 8.37 8.30 2k7zA4 LEU 429 HA -0.15 0.12 0.58 -0.75 4.35 4.15 2k7zA4 LEU 429 HB2 -0.30 -0.05 0.07 -0.04 1.64 1.32 2k7zA4 LEU 429 HB3 -0.22 -0.04 0.02 -0.04 1.64 1.36 2k7zA4 LEU 429 HG -0.24 0.13 0.06 -0.04 1.64 1.56 2k7zA4 LEU 429 HD13 -0.44 0.00 -0.24 -0.04 0.93 0.20 2k7zA4 LEU 429 HD23 -0.41 -0.05 -0.18 -0.04 0.89 0.20 2k7zA4 ARG 430 H -0.15 0.20 -0.43 -0.55 8.46 7.53 2k7zA4 ARG 430 HA -0.21 0.22 0.83 -0.75 4.34 4.43 2k7zA4 ARG 430 HB2 -0.14 -0.06 0.17 -0.04 1.90 1.82 2k7zA4 ARG 430 HB3 -0.18 0.09 0.11 -0.04 1.80 1.78 2k7zA4 ARG 430 HG2 -0.09 0.13 0.05 -0.04 1.67 1.72 2k7zA4 ARG 430 HG3 -0.08 -0.05 -0.21 -0.04 1.67 1.29 2k7zA4 ARG 430 HD2 -0.08 -0.04 -0.03 -0.04 3.22 3.04 2k7zA4 ARG 430 HD3 -0.09 0.03 -0.12 -0.04 3.22 3.00 2k7zA4 GLU 431 H -0.10 0.20 -0.49 -0.55 8.60 7.66 2k7zA4 GLU 431 HA -0.05 0.10 0.69 -0.75 4.29 4.27 2k7zA4 GLU 431 HB2 -0.04 -0.05 0.10 -0.04 2.09 2.06 2k7zA4 GLU 431 HB3 -0.05 0.01 0.06 -0.04 1.99 1.97 2k7zA4 GLU 431 HG2 -0.06 0.04 0.22 -0.04 2.34 2.49 2k7zA4 GLU 431 HG3 -0.05 0.05 0.13 -0.04 2.34 2.42 2k7zA4 ARG 432 H -0.07 0.28 -0.40 -0.55 8.46 7.72 2k7zA4 ARG 432 HA -0.06 0.01 0.22 -0.75 4.34 3.76 2k7zA4 ARG 432 HB2 -0.03 0.09 0.24 -0.04 1.90 2.15 2k7zA4 ARG 432 HB3 -0.03 0.04 0.04 -0.04 1.80 1.81 2k7zA4 ARG 432 HG2 -0.02 -0.02 -0.05 -0.04 1.67 1.55 2k7zA4 ARG 432 HG3 -0.03 -0.02 -0.11 -0.04 1.67 1.48 2k7zA4 ARG 432 HD2 -0.03 -0.14 -0.50 -0.04 3.22 2.52 2k7zA4 ARG 432 HD3 -0.02 0.11 -0.15 -0.04 3.22 3.12 2k7zA4 CYS 433 H -0.09 0.10 -0.16 -0.55 8.50 7.80 2k7zA4 CYS 433 HA -0.07 0.04 0.41 -0.75 4.58 4.20 2k7zA4 CYS 433 HB2 -0.13 0.26 0.18 -0.04 2.97 3.25 2k7zA4 CYS 433 HB3 -0.04 -0.02 0.01 -0.04 2.97 2.88 2k7zA4 PRO 434 HA -0.02 0.22 0.48 -0.51 4.44 4.61 2k7zA4 PRO 434 HB2 -0.04 -0.15 -0.37 -0.04 2.28 1.67 2k7zA4 PRO 434 HB3 -0.02 0.20 -0.34 -0.04 2.02 1.83 2k7zA4 PRO 434 HG2 -0.06 0.04 0.01 -0.04 2.03 1.98 2k7zA4 PRO 434 HG3 -0.07 0.06 -0.06 -0.04 2.03 1.93 2k7zA4 PRO 434 HD2 -0.06 -0.07 -0.10 -0.04 3.68 3.41 2k7zA4 PRO 434 HD3 -0.03 0.11 0.02 -0.04 3.65 3.71 2k7zA4 ARG 435 H -0.03 0.14 0.29 -0.55 8.46 8.30 2k7zA4 ARG 435 HA -0.01 0.16 0.78 -0.75 4.34 4.51 2k7zA4 ARG 435 HB2 -0.02 -0.06 0.07 -0.04 1.90 1.85 2k7zA4 ARG 435 HB3 -0.01 -0.06 0.01 -0.04 1.80 1.69 2k7zA4 ARG 435 HG2 -0.02 -0.06 -0.04 -0.04 1.67 1.51 2k7zA4 ARG 435 HG3 -0.03 0.13 -0.77 -0.04 1.67 0.96 2k7zA4 ARG 435 HD2 -0.03 0.10 0.02 -0.04 3.22 3.28 2k7zA4 ARG 435 HD3 -0.03 0.04 -0.02 -0.04 3.22 3.16 2k7zA4 GLY 436 H -0.03 0.11 0.20 -0.55 8.43 8.16 2k7zA4 GLY 436 HA2 -0.02 0.02 0.33 -0.51 4.01 3.83 2k7zA4 GLY 436 HA3 -0.00 0.12 0.42 -0.51 4.01 4.03 2k7zA4 ASP 437 H -0.02 0.13 0.14 -0.55 8.40 8.10 2k7zA4 ASP 437 HA -0.02 0.07 0.59 -0.75 4.63 4.51 2k7zA4 ASP 437 HB2 -0.03 0.06 0.06 -0.04 2.71 2.76 2k7zA4 ASP 437 HB3 -0.04 0.01 0.08 -0.04 2.70 2.72 2k7zA4 ASP 438 H -0.04 0.14 0.17 -0.55 8.40 8.13 2k7zA4 ASP 438 HA -0.01 -0.04 0.65 -0.75 4.63 4.48 2k7zA4 ASP 438 HB2 -0.05 0.09 -0.05 -0.04 2.71 2.67 2k7zA4 ASP 438 HB3 -0.03 0.04 -0.05 -0.04 2.70 2.62 2k7zA4 ILE 439 H 0.06 0.17 0.28 -0.55 8.25 8.20 2k7zA4 ILE 439 HA -0.05 0.11 0.32 -0.75 4.18 3.79 2k7zA4 ILE 439 HB -0.09 0.03 0.11 -0.04 1.89 1.91 2k7zA4 ILE 439 HG12 0.06 -0.01 -0.08 -0.04 1.49 1.41 2k7zA4 ILE 439 HG13 -0.05 -0.05 0.08 -0.04 1.21 1.15 2k7zA4 ILE 439 HG23 -0.16 0.05 -0.10 -0.04 0.93 0.68 2k7zA4 ILE 439 HD13 -0.24 0.03 -0.03 -0.04 0.88 0.60 2k7zA4 LEU 440 H -0.10 0.11 -0.37 -0.55 8.37 7.48 2k7zA4 LEU 440 HA -0.22 0.07 0.39 -0.75 4.35 3.84 2k7zA4 LEU 440 HB2 -0.34 -0.01 -0.03 -0.04 1.64 1.21 2k7zA4 LEU 440 HB3 -0.75 0.05 0.06 -0.04 1.64 0.96 2k7zA4 LEU 440 HG -0.10 0.12 0.11 -0.04 1.64 1.73 2k7zA4 LEU 440 HD13 -0.12 -0.01 0.07 -0.04 0.93 0.82 2k7zA4 LEU 440 HD23 -0.11 -0.00 -0.01 -0.04 0.89 0.73 2k7zA4 THR 441 H -0.14 0.39 -0.31 -0.55 8.28 7.68 2k7zA4 THR 441 HA -0.14 0.17 0.70 -0.75 4.39 4.37 2k7zA4 THR 441 HB -0.07 0.04 0.02 -0.04 4.32 4.27 2k7zA4 THR 441 HG23 -0.10 -0.04 -0.01 -0.04 1.22 1.03 2k7zA4 ILE 442 H -0.08 0.24 -0.04 -0.55 8.25 7.83 2k7zA4 ILE 442 HA -0.06 0.02 0.20 -0.75 4.18 3.58 2k7zA4 ILE 442 HB -0.08 0.04 0.09 -0.04 1.89 1.91 2k7zA4 ILE 442 HG12 -0.06 0.05 -0.03 -0.04 1.49 1.41 2k7zA4 ILE 442 HG13 -0.06 -0.05 -0.06 -0.04 1.21 1.01 2k7zA4 ILE 442 HG23 -0.11 -0.01 -0.11 -0.04 0.93 0.67 2k7zA4 ILE 442 HD13 -0.05 0.04 -0.10 -0.04 0.88 0.72 2k7zA4 LEU 443 H -0.06 0.35 -0.48 -0.55 8.37 7.63 2k7zA4 LEU 443 HA -0.02 -0.10 0.41 -0.75 4.35 3.88 2k7zA4 LEU 443 HB2 -0.05 0.13 -0.02 -0.04 1.64 1.66 2k7zA4 LEU 443 HB3 0.01 0.02 0.08 -0.04 1.64 1.70 2k7zA4 LEU 443 HG 0.06 -0.01 0.04 -0.04 1.64 1.68 2k7zA4 LEU 443 HD13 0.15 -0.01 -0.06 -0.04 0.93 0.96 2k7zA4 LEU 443 HD23 0.03 0.01 0.01 -0.04 0.89 0.90 2k7zA4 THR 444 H -0.02 0.09 0.33 -0.55 8.28 8.13 2k7zA4 THR 444 HA 0.02 -0.04 0.37 -0.75 4.39 3.98 2k7zA4 THR 444 HB 0.07 -0.07 0.06 -0.04 4.32 4.35 2k7zA4 THR 444 HG23 0.04 0.02 -0.15 -0.04 1.22 1.09 2k7zA4 GLU 445 H -0.03 0.53 -0.52 -0.55 8.60 8.03 2k7zA4 GLU 445 HA -0.05 0.08 0.17 -0.75 4.29 3.74 2k7zA4 GLU 445 HB2 -0.05 0.10 -0.11 -0.04 2.09 2.00 2k7zA4 GLU 445 HB3 -0.04 -0.07 -0.13 -0.04 1.99 1.71 2k7zA4 GLU 445 HG2 -0.05 -0.05 0.06 -0.04 2.34 2.26 2k7zA4 GLU 445 HG3 -0.05 0.13 -0.03 -0.04 2.34 2.35 2k7zA4 VAL 446 H -0.01 0.02 -0.73 -0.55 8.24 6.96 2k7zA4 VAL 446 HA -0.02 0.10 0.32 -0.75 4.13 3.78 2k7zA4 VAL 446 HB 0.11 0.09 0.02 -0.04 2.12 2.31 2k7zA4 VAL 446 HG13 0.11 -0.01 0.00 -0.04 0.97 1.02 2k7zA4 VAL 446 HG23 0.01 -0.01 -0.19 -0.04 0.95 0.72 2k7zA4 PRO 464 HA -0.03 -0.04 0.22 -0.51 4.44 4.08 2k7zA4 PRO 464 HB2 -0.04 0.01 0.02 -0.04 2.28 2.23 2k7zA4 PRO 464 HB3 -0.05 -0.00 0.08 -0.04 2.02 2.02 2k7zA4 PRO 464 HG2 -0.00 -0.12 0.07 -0.04 2.03 1.94 2k7zA4 PRO 464 HG3 -0.03 0.05 0.22 -0.04 2.03 2.22 2k7zA4 PRO 464 HD2 0.01 0.01 0.05 -0.04 3.68 3.71 2k7zA4 PRO 464 HD3 -0.02 0.00 0.08 -0.04 3.65 3.68 2k7zA4 GLN 465 H -0.01 0.10 -0.03 -0.55 8.47 7.97 2k7zA4 GLN 465 HA -0.02 0.14 0.43 -0.75 4.36 4.15 2k7zA4 GLN 465 HB2 -0.02 0.07 -0.10 -0.04 2.15 2.06 2k7zA4 GLN 465 HB3 -0.01 -0.06 0.11 -0.04 2.02 2.02 2k7zA4 GLN 465 HG2 0.00 0.04 -0.00 -0.04 2.40 2.40 2k7zA4 GLN 465 HG3 -0.01 0.03 0.08 -0.04 2.39 2.46 2k7zA4 GLN 465 HE21 0.01 0.01 0.01 -0.04 6.97 6.96 2k7zA4 GLN 465 HE22 0.02 -0.05 0.01 -0.04 7.69 7.62 2k7zA4 PRO 466 HA 0.05 0.03 0.63 -0.51 4.44 4.64 2k7zA4 PRO 466 HB2 -0.47 0.04 0.03 -0.04 2.28 1.83 2k7zA4 PRO 466 HB3 0.18 0.03 0.14 -0.04 2.02 2.34 2k7zA4 PRO 466 HG2 -0.21 0.07 0.09 -0.04 2.03 1.93 2k7zA4 PRO 466 HG3 -0.04 0.03 0.06 -0.04 2.03 2.05 2k7zA4 PRO 466 HD2 -0.05 0.15 0.07 -0.04 3.68 3.81 2k7zA4 PRO 466 HD3 -0.00 0.07 0.07 -0.04 3.65 3.75 2k7zA4 THR 467 H 0.04 0.11 0.25 -0.55 8.28 8.14 2k7zA4 THR 467 HA -0.05 0.19 0.69 -0.75 4.39 4.47 2k7zA4 THR 467 HB 0.06 -0.03 0.13 -0.04 4.32 4.44 2k7zA4 THR 467 HG23 0.06 0.03 0.00 -0.04 1.22 1.27 2k7zA4 PHE 468 H 0.03 -0.00 0.10 -0.55 8.34 7.91 2k7zA4 PHE 468 HA -0.26 0.02 0.58 -0.75 4.62 4.20 2k7zA4 PHE 468 HB2 -0.12 -0.02 0.12 -0.04 3.15 3.10 2k7zA4 PHE 468 HB3 -0.09 0.02 0.19 -0.04 3.06 3.15 2k7zA4 PHE 468 HD2 -0.04 -0.05 -0.03 -0.04 7.28 7.12 2k7zA4 PHE 468 HE2 -0.02 0.01 0.01 -0.04 7.38 7.34 2k7zA4 PHE 468 HZ -0.02 0.00 -0.01 -0.04 7.32 7.26 2k7zA4 THR 469 H -0.25 0.27 0.18 -0.55 8.28 7.94 2k7zA4 THR 469 HA -0.05 0.13 0.72 -0.75 4.39 4.44 2k7zA4 THR 469 HB 0.06 -0.05 0.10 -0.04 4.32 4.38 2k7zA4 THR 469 HG23 -0.07 0.06 -0.17 -0.04 1.22 1.00 2k7zA4 LEU 470 H 0.15 0.27 0.09 -0.55 8.37 8.33 2k7zA4 LEU 470 HA 0.10 -0.03 1.07 -0.75 4.35 4.73 2k7zA4 LEU 470 HB2 0.10 0.08 0.13 -0.04 1.64 1.90 2k7zA4 LEU 470 HB3 0.07 -0.02 0.11 -0.04 1.64 1.76 2k7zA4 LEU 470 HG 0.05 0.03 -0.22 -0.04 1.64 1.46 2k7zA4 LEU 470 HD13 0.06 -0.05 -0.09 -0.04 0.93 0.80 2k7zA4 LEU 470 HD23 0.03 0.02 -0.14 -0.04 0.89 0.77 2k7zA4 ARG 471 H 0.08 0.14 0.22 -0.55 8.46 8.34 2k7zA4 ARG 471 HA 0.05 0.12 0.50 -0.75 4.34 4.26 2k7zA4 ARG 471 HB2 0.05 0.02 0.10 -0.04 1.90 2.04 2k7zA4 ARG 471 HB3 0.04 0.03 0.09 -0.04 1.80 1.92 2k7zA4 ARG 471 HG2 0.07 -0.10 0.03 -0.04 1.67 1.63 2k7zA4 ARG 471 HG3 0.05 0.06 0.03 -0.04 1.67 1.77 2k7zA4 ARG 471 HD2 0.04 0.02 0.02 -0.04 3.22 3.26 2k7zA4 ARG 471 HD3 0.04 0.01 -0.02 -0.04 3.22 3.21 2k7zA4 LYS 472 H 0.06 0.01 -0.23 -0.55 8.42 7.70 2k7zA4 LYS 472 HA 0.04 0.19 0.71 -0.75 4.32 4.51 2k7zA4 LYS 472 HB2 0.04 -0.04 -0.14 -0.04 1.87 1.69 2k7zA4 LYS 472 HB3 0.03 0.03 -0.07 -0.04 1.79 1.74 2k7zA4 LYS 472 HG2 0.03 0.03 -0.04 -0.04 1.46 1.44 2k7zA4 LYS 472 HG3 0.04 -0.05 -0.52 -0.04 1.46 0.88 2k7zA4 LYS 472 HD2 0.03 0.01 -0.07 -0.04 1.69 1.61 2k7zA4 LYS 472 HD3 0.03 0.03 -0.05 -0.04 1.68 1.65 2k7zA4 LYS 472 HE2 0.04 -0.06 -0.05 -0.04 2.99 2.88 2k7zA4 LYS 472 HE3 0.04 -0.08 -0.05 -0.04 2.99 2.85 2k7zA4 LYS 473 H 0.03 0.74 0.22 -0.55 8.42 8.86 2k7zA4 LYS 473 HA 0.01 0.05 0.62 -0.75 4.32 4.24 2k7zA4 LYS 473 HB2 0.02 0.04 0.10 -0.04 1.87 1.99 2k7zA4 LYS 473 HB3 0.02 0.19 0.38 -0.04 1.79 2.34 2k7zA4 LYS 473 HG2 0.01 -0.16 -0.07 -0.04 1.46 1.19 2k7zA4 LYS 473 HG3 -0.01 -0.03 -0.11 -0.04 1.46 1.27 2k7zA4 LYS 473 HD2 0.01 0.06 0.01 -0.04 1.69 1.72 2k7zA4 LYS 473 HD3 0.02 0.01 0.03 -0.04 1.68 1.69 2k7zA4 LYS 473 HE2 -0.00 0.02 -0.00 -0.04 2.99 2.96 2k7zA4 LYS 473 HE3 -0.02 -0.09 -0.03 -0.04 2.99 2.81 2k7zA4 LEU 474 H 0.00 0.24 0.14 -0.55 8.37 8.20 2k7zA4 LEU 474 HA 0.01 0.11 0.60 -0.75 4.35 4.32 2k7zA4 LEU 474 HB2 0.03 0.08 0.01 -0.04 1.64 1.72 2k7zA4 LEU 474 HB3 0.03 -0.08 0.16 -0.04 1.64 1.71 2k7zA4 LEU 474 HG 0.17 0.03 -0.23 -0.04 1.64 1.57 2k7zA4 LEU 474 HD13 0.01 0.02 -0.06 -0.04 0.93 0.85 2k7zA4 LEU 474 HD23 0.11 -0.00 -0.13 -0.04 0.89 0.83 2k7zA4 VAL 475 H -0.02 0.20 0.21 -0.55 8.24 8.08 2k7zA4 VAL 475 HA 0.04 -0.07 0.87 -0.75 4.13 4.20 2k7zA4 VAL 475 HB -0.19 -0.04 0.03 -0.04 2.12 1.88 2k7zA4 VAL 475 HG13 -0.11 0.02 -0.26 -0.04 0.97 0.59 2k7zA4 VAL 475 HG23 -0.03 -0.02 -0.05 -0.04 0.95 0.82 2k7zA4 PHE 476 H 0.14 0.12 0.08 -0.55 8.34 8.12 2k7zA4 PHE 476 HA -0.11 0.20 0.77 -0.75 4.62 4.73 2k7zA4 PHE 476 HB2 -0.03 -0.09 0.13 -0.04 3.15 3.11 2k7zA4 PHE 476 HB3 -0.04 0.11 0.08 -0.04 3.06 3.16 2k7zA4 PHE 476 HD2 -0.03 -0.05 -0.30 -0.04 7.28 6.86 2k7zA4 PHE 476 HE2 -0.05 -0.01 -0.19 -0.04 7.38 7.09 2k7zA4 PHE 476 HZ -0.09 0.07 -0.23 -0.04 7.32 7.03 2k7zA4 PRO 477 HA -0.13 0.09 0.46 -0.51 4.44 4.35 2k7zA4 PRO 477 HB2 -0.29 0.04 0.02 -0.04 2.28 2.01 2k7zA4 PRO 477 HB3 -0.57 0.04 -0.02 -0.04 2.02 1.43 2k7zA4 PRO 477 HG2 -0.31 0.03 -0.07 -0.04 2.03 1.64 2k7zA4 PRO 477 HG3 -0.96 0.01 -0.05 -0.04 2.03 0.99 2k7zA4 PRO 477 HD2 -0.34 0.20 0.02 -0.04 3.68 3.52 2k7zA4 PRO 477 HD3 -0.36 -0.03 -0.38 -0.04 3.65 2.84 2k7zA4 SER 478 H -0.06 0.17 -0.04 -0.55 8.46 7.98 2k7zA4 SER 478 HA -0.06 0.17 0.51 -0.75 4.49 4.36 2k7zA4 SER 478 HB2 -0.02 0.06 0.15 -0.04 3.95 4.11 2k7zA4 SER 478 HB3 -0.03 0.14 0.02 -0.04 3.93 4.02 2k7zA4 ASP 479 H -0.07 0.02 -0.71 -0.55 8.40 7.10 2k7zA4 ASP 479 HA 0.03 0.16 0.40 -0.75 4.63 4.46 2k7zA4 ASP 479 HB2 0.05 -0.02 0.00 -0.04 2.71 2.69 2k7zA4 ASP 479 HB3 0.08 0.17 0.06 -0.04 2.70 2.96