============================================================================= 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 -13.983 10.447 6.123 -99.200 -91.000 TYR 12 0.840 10.521 9.157 8.309 -99.200 -91.000 HIS 19 0.900 24.199 7.676 -10.930 -99.200 -91.000 PHE 21 1.000 22.160 5.838 -17.066 -99.200 -91.000 HIS 32 0.900 15.238 5.970 -26.469 -99.200 -91.000 HIS 41 0.900 17.941 17.464 -8.648 -99.200 -91.000 PHE 51 1.000 3.444 10.049 -2.054 -99.200 -91.000 HIS 55 0.900 0.587 19.952 4.586 -99.200 -91.000 PHE 56 1.000 2.155 11.551 3.070 -99.200 -91.000 HIS 61 0.900 18.124 7.591 0.708 -99.200 -91.000 TYR 70 0.840 20.820 -7.128 -1.516 -99.200 -91.000 TYR 76 0.840 11.337 -0.935 4.300 -99.200 -91.000 HIS 81 0.900 8.954 3.088 15.831 -99.200 -91.000 PHE 87 1.000 7.895 2.307 5.278 -99.200 -91.000 HIS 94 0.900 13.206 -3.649 -16.969 -99.200 -91.000 TYR 101 0.840 19.528 -11.926 -9.990 -99.200 -91.000 TYR 111 0.840 8.975 -14.563 -5.680 -99.200 -91.000 PHE 117 1.000 6.707 -7.399 5.208 -99.200 -91.000 PHE 132 1.000 4.743 -4.112 -4.450 -99.200 -91.000 PHE 133 1.000 1.990 3.647 -5.573 -99.200 -91.000 TYR 142 0.840 5.891 -10.326 -31.320 -99.200 -91.000 TYR 157 0.840 27.038 -11.752 -27.671 -99.200 -91.000 TYR 169 0.840 5.157 -12.184 -6.519 -99.200 -91.000 PHE 176 1.000 2.493 -5.875 -0.045 -99.200 -91.000 TRP 187 1.040 -6.213 -0.142 -19.659 -99.200 -91.000 TRP6 187 1.020 -6.713 2.004 -20.613 -99.200 -91.000 TYR 188 0.840 1.455 -0.695 -22.240 -99.200 -91.000 PHE 218 1.000 -9.417 -3.912 -4.705 -99.200 -91.000 PHE 226 1.000 -1.570 7.424 0.717 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k7zA20 LYS 224 H 0.00 0.18 0.14 -0.55 8.42 8.20 2k7zA20 LYS 224 HA 0.02 -0.10 0.24 -0.75 4.32 3.73 2k7zA20 LYS 224 HB2 0.01 -0.05 0.06 -0.04 1.87 1.86 2k7zA20 LYS 224 HB3 0.02 0.17 -0.07 -0.04 1.79 1.86 2k7zA20 LYS 224 HG2 0.02 -0.01 0.06 -0.04 1.46 1.49 2k7zA20 LYS 224 HG3 0.02 -0.03 0.09 -0.04 1.46 1.49 2k7zA20 LYS 224 HD2 0.01 -0.02 0.03 -0.04 1.69 1.66 2k7zA20 LYS 224 HD3 0.01 -0.01 0.03 -0.04 1.68 1.67 2k7zA20 LYS 224 HE2 -0.00 -0.03 0.01 -0.04 2.99 2.93 2k7zA20 LYS 224 HE3 0.01 0.07 0.00 -0.04 2.99 3.03 2k7zA20 VAL 225 H 0.04 0.04 0.12 -0.55 8.24 7.89 2k7zA20 VAL 225 HA 0.02 0.06 0.49 -0.75 4.13 3.95 2k7zA20 VAL 225 HB 0.05 0.09 0.20 -0.04 2.12 2.41 2k7zA20 VAL 225 HG13 0.09 0.00 -0.14 -0.04 0.97 0.88 2k7zA20 VAL 225 HG23 0.05 -0.01 -0.04 -0.04 0.95 0.91 2k7zA20 TYR 226 H 0.05 0.05 0.07 -0.55 8.29 7.91 2k7zA20 TYR 226 HA -0.01 -0.04 0.37 -0.75 4.56 4.12 2k7zA20 TYR 226 HB2 -0.01 -0.07 -0.22 -0.04 3.06 2.72 2k7zA20 TYR 226 HB3 -0.01 0.17 0.25 -0.04 2.98 3.35 2k7zA20 TYR 226 HD2 -0.01 0.01 -0.09 -0.04 7.15 7.02 2k7zA20 TYR 226 HE2 -0.01 0.00 -0.02 -0.04 6.85 6.79 2k7zA20 GLN 227 H -0.18 0.07 0.09 -0.55 8.47 7.90 2k7zA20 GLN 227 HA -0.08 0.06 0.29 -0.75 4.36 3.88 2k7zA20 GLN 227 HB2 -0.05 -0.07 -0.14 -0.04 2.15 1.86 2k7zA20 GLN 227 HB3 0.06 0.18 0.16 -0.04 2.02 2.39 2k7zA20 GLN 227 HG2 -0.03 0.01 0.04 -0.04 2.40 2.38 2k7zA20 GLN 227 HG3 -0.05 -0.01 0.03 -0.04 2.39 2.32 2k7zA20 GLN 227 HE21 -0.02 0.01 0.00 -0.04 6.97 6.92 2k7zA20 GLN 227 HE22 0.00 -0.01 0.01 -0.04 7.69 7.65 2k7zA20 MET 228 H -0.06 -0.01 -0.16 -0.55 8.47 7.69 2k7zA20 MET 228 HA -0.02 0.16 0.44 -0.75 4.52 4.35 2k7zA20 MET 228 HB2 -0.05 -0.07 0.04 -0.04 2.15 2.03 2k7zA20 MET 228 HB3 -0.04 0.12 0.08 -0.04 2.03 2.15 2k7zA20 MET 228 HG2 -0.11 -0.07 0.12 -0.04 2.63 2.53 2k7zA20 MET 228 HG3 -0.10 0.02 0.07 -0.04 2.56 2.51 2k7zA20 MET 228 HE3 -0.60 -0.02 0.06 -0.04 2.10 1.50 2k7zA20 LYS 229 H -0.03 0.37 0.27 -0.55 8.42 8.47 2k7zA20 LYS 229 HA -0.08 0.15 0.52 -0.75 4.32 4.15 2k7zA20 LYS 229 HB2 -0.04 0.01 0.13 -0.04 1.87 1.93 2k7zA20 LYS 229 HB3 -0.06 -0.05 0.19 -0.04 1.79 1.83 2k7zA20 LYS 229 HG2 -0.06 -0.04 -0.02 -0.04 1.46 1.31 2k7zA20 LYS 229 HG3 -0.04 0.10 -0.19 -0.04 1.46 1.29 2k7zA20 LYS 229 HD2 -0.03 -0.07 0.05 -0.04 1.69 1.60 2k7zA20 LYS 229 HD3 -0.02 -0.04 0.03 -0.04 1.68 1.61 2k7zA20 LYS 229 HE2 -0.01 0.31 0.21 -0.04 2.99 3.46 2k7zA20 LYS 229 HE3 -0.01 -0.09 0.07 -0.04 2.99 2.92 2k7zA20 SER 230 H -0.05 0.14 -0.64 -0.55 8.46 7.36 2k7zA20 SER 230 HA -0.05 0.09 0.57 -0.75 4.49 4.35 2k7zA20 SER 230 HB2 -0.04 -0.10 0.13 -0.04 3.95 3.90 2k7zA20 SER 230 HB3 -0.03 0.05 0.08 -0.04 3.93 3.99 2k7zA20 LYS 231 H -0.08 0.39 0.14 -0.55 8.42 8.31 2k7zA20 LYS 231 HA -0.11 0.04 0.34 -0.75 4.32 3.83 2k7zA20 LYS 231 HB2 -0.09 -0.07 -0.09 -0.04 1.87 1.57 2k7zA20 LYS 231 HB3 -0.12 0.05 0.13 -0.04 1.79 1.81 2k7zA20 LYS 231 HG2 -0.18 0.06 -0.08 -0.04 1.46 1.23 2k7zA20 LYS 231 HG3 -0.11 -0.00 0.01 -0.04 1.46 1.32 2k7zA20 LYS 231 HD2 -0.08 -0.04 -0.01 -0.04 1.69 1.52 2k7zA20 LYS 231 HD3 -0.14 0.02 -0.03 -0.04 1.68 1.48 2k7zA20 LYS 231 HE2 -0.05 -0.01 -0.00 -0.04 2.99 2.89 2k7zA20 LYS 231 HE3 -0.05 -0.01 -0.01 -0.04 2.99 2.88 2k7zA20 PRO 232 HA -0.39 0.09 0.25 -0.51 4.44 3.88 2k7zA20 PRO 232 HB2 -0.38 0.32 0.13 -0.04 2.28 2.31 2k7zA20 PRO 232 HB3 -0.25 0.03 0.08 -0.04 2.02 1.83 2k7zA20 PRO 232 HG2 -0.19 0.03 0.05 -0.04 2.03 1.89 2k7zA20 PRO 232 HG3 -0.18 0.01 0.06 -0.04 2.03 1.88 2k7zA20 PRO 232 HD2 -0.13 0.04 0.16 -0.04 3.68 3.71 2k7zA20 PRO 232 HD3 -0.14 0.13 -0.03 -0.04 3.65 3.58 2k7zA20 ARG 233 H -0.20 0.01 -0.43 -0.55 8.46 7.29 2k7zA20 ARG 233 HA -0.10 0.06 0.32 -0.75 4.34 3.86 2k7zA20 ARG 233 HB2 -0.10 -0.03 0.03 -0.04 1.90 1.76 2k7zA20 ARG 233 HB3 0.00 -0.01 0.04 -0.04 1.80 1.79 2k7zA20 ARG 233 HG2 -0.01 0.06 -0.14 -0.04 1.67 1.54 2k7zA20 ARG 233 HG3 -0.09 -0.03 -0.05 -0.04 1.67 1.46 2k7zA20 ARG 233 HD2 -0.03 -0.02 -0.02 -0.04 3.22 3.11 2k7zA20 ARG 233 HD3 0.02 -0.00 -0.04 -0.04 3.22 3.15 2k7zA20 GLY 234 H -0.18 0.72 -0.16 -0.55 8.43 8.26 2k7zA20 GLY 234 HA2 -0.13 0.08 0.47 -0.51 4.01 3.92 2k7zA20 GLY 234 HA3 0.35 0.03 0.23 -0.51 4.01 4.11 2k7zA20 TYR 235 H -0.21 0.18 0.16 -0.55 8.29 7.88 2k7zA20 TYR 235 HA 0.11 0.26 0.61 -0.75 4.56 4.79 2k7zA20 TYR 235 HB2 0.22 -0.03 0.21 -0.04 3.06 3.42 2k7zA20 TYR 235 HB3 0.13 -0.01 0.07 -0.04 2.98 3.13 2k7zA20 TYR 235 HD2 0.05 0.00 -0.02 -0.04 7.15 7.15 2k7zA20 TYR 235 HE2 -0.03 -0.03 -0.01 -0.04 6.85 6.75 2k7zA20 CYS 236 H 0.14 0.73 0.35 -0.55 8.50 9.18 2k7zA20 CYS 236 HA -0.17 0.03 0.52 -0.75 4.58 4.21 2k7zA20 CYS 236 HB2 -0.13 -0.16 0.01 -0.04 2.97 2.64 2k7zA20 CYS 236 HB3 -0.50 -0.01 -0.06 -0.04 2.97 2.36 2k7zA20 LEU 237 H -0.17 0.30 0.28 -0.55 8.37 8.23 2k7zA20 LEU 237 HA 0.03 0.16 0.68 -0.75 4.35 4.47 2k7zA20 LEU 237 HB2 -0.12 0.11 0.48 -0.04 1.64 2.07 2k7zA20 LEU 237 HB3 -0.01 -0.05 0.09 -0.04 1.64 1.63 2k7zA20 LEU 237 HG 0.02 -0.07 0.05 -0.04 1.64 1.61 2k7zA20 LEU 237 HD13 0.15 0.00 -0.00 -0.04 0.93 1.03 2k7zA20 LEU 237 HD23 -0.12 0.06 -0.05 -0.04 0.89 0.74 2k7zA20 ILE 238 H 0.03 0.33 0.08 -0.55 8.25 8.15 2k7zA20 ILE 238 HA 0.01 0.15 0.61 -0.75 4.18 4.20 2k7zA20 ILE 238 HB -0.01 -0.05 -0.00 -0.04 1.89 1.79 2k7zA20 ILE 238 HG12 -0.03 0.11 -0.18 -0.04 1.49 1.35 2k7zA20 ILE 238 HG13 -0.06 -0.00 -0.86 -0.04 1.21 0.25 2k7zA20 ILE 238 HG23 0.02 -0.03 -0.18 -0.04 0.93 0.70 2k7zA20 ILE 238 HD13 -0.01 -0.00 -0.24 -0.04 0.88 0.58 2k7zA20 ILE 239 H 0.03 0.41 0.09 -0.55 8.25 8.23 2k7zA20 ILE 239 HA 0.05 0.30 0.89 -0.75 4.18 4.67 2k7zA20 ILE 239 HB 0.03 -0.05 0.28 -0.04 1.89 2.12 2k7zA20 ILE 239 HG12 0.05 0.10 0.04 -0.04 1.49 1.64 2k7zA20 ILE 239 HG13 0.06 -0.09 -0.18 -0.04 1.21 0.96 2k7zA20 ILE 239 HG23 0.02 -0.01 0.01 -0.04 0.93 0.91 2k7zA20 ILE 239 HD13 0.00 0.01 0.01 -0.04 0.88 0.85 2k7zA20 ASN 240 H 0.03 0.31 -0.06 -0.55 8.53 8.26 2k7zA20 ASN 240 HA 0.05 0.15 0.81 -0.75 4.76 5.02 2k7zA20 ASN 240 HB2 0.04 0.03 -0.11 -0.04 2.88 2.80 2k7zA20 ASN 240 HB3 0.02 -0.03 0.12 -0.04 2.79 2.86 2k7zA20 ASN 240 HD21 0.05 0.02 -0.10 -0.04 7.03 6.97 2k7zA20 ASN 240 HD22 0.07 0.05 -0.12 -0.04 7.74 7.70 2k7zA20 ASN 241 H 0.06 0.25 0.03 -0.55 8.53 8.33 2k7zA20 ASN 241 HA 0.06 -0.09 0.77 -0.75 4.76 4.75 2k7zA20 ASN 241 HB2 0.05 -0.04 0.11 -0.04 2.88 2.95 2k7zA20 ASN 241 HB3 0.04 0.09 0.08 -0.04 2.79 2.96 2k7zA20 ASN 241 HD21 0.09 0.03 0.07 -0.04 7.03 7.18 2k7zA20 ASN 241 HD22 0.11 -0.02 0.08 -0.04 7.74 7.87 2k7zA20 HIS 242 H 0.14 0.13 0.25 -0.55 8.41 8.39 2k7zA20 HIS 242 HA -0.12 0.14 0.52 -0.75 4.63 4.42 2k7zA20 HIS 242 HB2 -0.20 0.06 0.18 -0.04 3.26 3.26 2k7zA20 HIS 242 HB3 -0.09 0.06 0.18 -0.04 3.20 3.31 2k7zA20 HIS 242 HD2 -0.11 0.04 -0.02 -0.04 6.97 6.83 2k7zA20 HIS 242 HE1 -0.09 0.04 -0.00 -0.04 7.75 7.65 2k7zA20 ASN 243 H -0.05 -0.07 -0.44 -0.55 8.53 7.43 2k7zA20 ASN 243 HA -0.65 0.13 0.54 -0.75 4.76 4.02 2k7zA20 ASN 243 HB2 -0.05 -0.02 0.08 -0.04 2.88 2.85 2k7zA20 ASN 243 HB3 -0.12 -0.01 0.07 -0.04 2.79 2.68 2k7zA20 ASN 243 HD21 -0.07 0.04 0.01 -0.04 7.03 6.97 2k7zA20 ASN 243 HD22 0.14 0.09 -0.02 -0.04 7.74 7.91 2k7zA20 PHE 244 H -0.28 0.24 0.15 -0.55 8.34 7.90 2k7zA20 PHE 244 HA -0.03 0.09 0.75 -0.75 4.62 4.68 2k7zA20 PHE 244 HB2 -0.05 0.07 0.08 -0.04 3.15 3.21 2k7zA20 PHE 244 HB3 -0.03 -0.02 0.09 -0.04 3.06 3.06 2k7zA20 PHE 244 HD2 -0.03 0.00 -0.19 -0.04 7.28 7.02 2k7zA20 PHE 244 HE2 -0.01 0.00 -0.04 -0.04 7.38 7.29 2k7zA20 PHE 244 HZ 0.01 -0.07 0.03 -0.04 7.32 7.24 2k7zA20 ALA 245 H 0.02 0.11 -0.13 -0.55 8.40 7.85 2k7zA20 ALA 245 HA 0.03 0.19 0.33 -0.75 4.34 4.14 2k7zA20 ALA 245 HB3 0.01 0.00 0.08 -0.04 1.41 1.46 2k7zA20 LYS 246 H 0.05 -0.04 -0.04 -0.55 8.42 7.84 2k7zA20 LYS 246 HA 0.02 0.30 0.75 -0.75 4.32 4.64 2k7zA20 LYS 246 HB2 0.03 0.02 -0.07 -0.04 1.87 1.81 2k7zA20 LYS 246 HB3 0.03 -0.23 0.12 -0.04 1.79 1.68 2k7zA20 LYS 246 HG2 0.02 -0.02 0.07 -0.04 1.46 1.48 2k7zA20 LYS 246 HG3 0.00 0.01 0.18 -0.04 1.46 1.61 2k7zA20 LYS 246 HD2 0.01 0.05 0.04 -0.04 1.69 1.75 2k7zA20 LYS 246 HD3 0.02 0.18 0.12 -0.04 1.68 1.95 2k7zA20 LYS 246 HE2 0.02 -0.12 -0.11 -0.04 2.99 2.74 2k7zA20 LYS 246 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.94 2k7zA20 ALA 247 H 0.08 0.06 -0.15 -0.55 8.40 7.84 2k7zA20 ALA 247 HA 0.01 0.08 0.56 -0.75 4.34 4.24 2k7zA20 ALA 247 HB3 0.13 0.05 0.08 -0.04 1.41 1.63 2k7zA20 ARG 248 H 0.02 0.14 -0.33 -0.55 8.46 7.74 2k7zA20 ARG 248 HA -0.08 0.14 0.22 -0.75 4.34 3.86 2k7zA20 ARG 248 HB2 -0.05 0.06 0.03 -0.04 1.90 1.90 2k7zA20 ARG 248 HB3 -0.01 0.09 0.03 -0.04 1.80 1.87 2k7zA20 ARG 248 HG2 -0.03 0.06 -0.38 -0.04 1.67 1.28 2k7zA20 ARG 248 HG3 -0.01 -0.06 -0.06 -0.04 1.67 1.50 2k7zA20 ARG 248 HD2 -0.01 -0.26 -0.22 -0.04 3.22 2.69 2k7zA20 ARG 248 HD3 -0.01 0.01 -0.07 -0.04 3.22 3.10 2k7zA20 GLU 249 H -0.04 0.03 -0.60 -0.55 8.60 7.44 2k7zA20 GLU 249 HA -0.08 0.19 0.62 -0.75 4.29 4.26 2k7zA20 GLU 249 HB2 -0.05 -0.04 -0.03 -0.04 2.09 1.93 2k7zA20 GLU 249 HB3 -0.05 -0.05 0.09 -0.04 1.99 1.95 2k7zA20 GLU 249 HG2 -0.06 0.03 -0.07 -0.04 2.34 2.20 2k7zA20 GLU 249 HG3 -0.07 0.05 -0.21 -0.04 2.34 2.07 2k7zA20 LYS 250 H -0.07 0.11 0.07 -0.55 8.42 7.97 2k7zA20 LYS 250 HA -0.18 0.09 0.42 -0.75 4.32 3.90 2k7zA20 LYS 250 HB2 -0.05 -0.08 0.12 -0.04 1.87 1.82 2k7zA20 LYS 250 HB3 -0.04 0.03 0.14 -0.04 1.79 1.87 2k7zA20 LYS 250 HG2 -0.04 -0.02 0.08 -0.04 1.46 1.44 2k7zA20 LYS 250 HG3 -0.01 0.03 0.11 -0.04 1.46 1.55 2k7zA20 LYS 250 HD2 0.05 0.02 0.00 -0.04 1.69 1.72 2k7zA20 LYS 250 HD3 -0.00 -0.09 -0.05 -0.04 1.68 1.50 2k7zA20 LYS 250 HE2 0.05 -0.07 -0.58 -0.04 2.99 2.35 2k7zA20 LYS 250 HE3 0.06 -0.30 -0.05 -0.04 2.99 2.66 2k7zA20 VAL 251 H -0.15 0.43 -0.44 -0.55 8.24 7.53 2k7zA20 VAL 251 HA -0.27 0.15 0.82 -0.75 4.13 4.07 2k7zA20 VAL 251 HB -0.04 0.03 0.14 -0.04 2.12 2.20 2k7zA20 VAL 251 HG13 0.02 -0.03 -0.02 -0.04 0.97 0.89 2k7zA20 VAL 251 HG23 -0.03 0.00 -0.10 -0.04 0.95 0.79 2k7zA20 PRO 252 HA -0.13 0.22 0.37 -0.51 4.44 4.39 2k7zA20 PRO 252 HB2 -0.16 -0.01 0.06 -0.04 2.28 2.13 2k7zA20 PRO 252 HB3 -0.13 0.10 0.13 -0.04 2.02 2.08 2k7zA20 PRO 252 HG2 -0.08 -0.04 0.04 -0.04 2.03 1.91 2k7zA20 PRO 252 HG3 -0.10 0.07 0.07 -0.04 2.03 2.04 2k7zA20 PRO 252 HD2 -0.18 0.09 0.16 -0.04 3.68 3.71 2k7zA20 PRO 252 HD3 -0.19 0.40 -0.15 -0.04 3.65 3.67 2k7zA20 LYS 253 H -0.04 0.13 -0.44 -0.55 8.42 7.51 2k7zA20 LYS 253 HA 0.16 0.09 0.47 -0.75 4.32 4.28 2k7zA20 LYS 253 HB2 0.03 -0.01 0.10 -0.04 1.87 1.95 2k7zA20 LYS 253 HB3 0.02 0.03 0.05 -0.04 1.79 1.85 2k7zA20 LYS 253 HG2 0.02 0.01 -0.02 -0.04 1.46 1.43 2k7zA20 LYS 253 HG3 0.01 0.04 -0.21 -0.04 1.46 1.26 2k7zA20 LYS 253 HD2 0.03 -0.01 -0.03 -0.04 1.69 1.64 2k7zA20 LYS 253 HD3 0.06 0.06 -0.04 -0.04 1.68 1.71 2k7zA20 LYS 253 HE2 0.04 0.01 -0.14 -0.04 2.99 2.87 2k7zA20 LYS 253 HE3 0.02 -0.03 -0.11 -0.04 2.99 2.82 2k7zA20 LEU 254 H -0.06 0.50 -0.48 -0.55 8.37 7.78 2k7zA20 LEU 254 HA -0.17 0.01 0.37 -0.75 4.35 3.81 2k7zA20 LEU 254 HB2 -0.23 0.13 -0.02 -0.04 1.64 1.48 2k7zA20 LEU 254 HB3 -0.65 -0.03 0.06 -0.04 1.64 0.99 2k7zA20 LEU 254 HG -0.10 0.12 0.01 -0.04 1.64 1.63 2k7zA20 LEU 254 HD13 -0.19 -0.00 -0.23 -0.04 0.93 0.46 2k7zA20 LEU 254 HD23 -0.07 -0.01 -0.07 -0.04 0.89 0.70 2k7zA20 HIS 255 H 0.20 0.21 -0.57 -0.55 8.41 7.70 2k7zA20 HIS 255 HA -0.11 0.16 0.76 -0.75 4.63 4.69 2k7zA20 HIS 255 HB2 -0.06 -0.01 0.09 -0.04 3.26 3.23 2k7zA20 HIS 255 HB3 -0.09 0.02 0.05 -0.04 3.20 3.14 2k7zA20 HIS 255 HD2 -0.07 -0.10 0.13 -0.04 6.97 6.89 2k7zA20 HIS 255 HE1 -0.03 -0.03 -0.04 -0.04 7.75 7.60 2k7zA20 SER 256 H -0.13 0.30 -0.05 -0.55 8.46 8.04 2k7zA20 SER 256 HA -0.39 0.09 0.46 -0.75 4.49 3.89 2k7zA20 SER 256 HB2 -0.26 -0.05 0.11 -0.04 3.95 3.71 2k7zA20 SER 256 HB3 -0.10 0.04 0.07 -0.04 3.93 3.90 2k7zA20 ILE 257 H -0.10 0.05 -0.29 -0.55 8.25 7.35 2k7zA20 ILE 257 HA -0.03 -0.02 0.41 -0.75 4.18 3.78 2k7zA20 ILE 257 HB 0.01 -0.06 0.06 -0.04 1.89 1.86 2k7zA20 ILE 257 HG12 -0.16 -0.05 -0.03 -0.04 1.49 1.20 2k7zA20 ILE 257 HG13 -0.11 0.02 -0.33 -0.04 1.21 0.74 2k7zA20 ILE 257 HG23 -0.01 -0.02 -0.02 -0.04 0.93 0.85 2k7zA20 ILE 257 HD13 -0.03 -0.02 -0.35 -0.04 0.88 0.45 2k7zA20 ARG 258 H -0.01 0.01 0.09 -0.55 8.46 8.01 2k7zA20 ARG 258 HA -0.02 0.19 0.63 -0.75 4.34 4.38 2k7zA20 ARG 258 HB2 -0.01 0.02 0.07 -0.04 1.90 1.93 2k7zA20 ARG 258 HB3 -0.00 0.00 -0.02 -0.04 1.80 1.74 2k7zA20 ARG 258 HG2 -0.00 -0.18 0.05 -0.04 1.67 1.50 2k7zA20 ARG 258 HG3 -0.01 0.09 0.07 -0.04 1.67 1.78 2k7zA20 ARG 258 HD2 -0.01 0.04 -0.00 -0.04 3.22 3.20 2k7zA20 ARG 258 HD3 -0.00 -0.03 -0.02 -0.04 3.22 3.13 2k7zA20 ASP 259 H -0.01 0.12 0.14 -0.55 8.40 8.11 2k7zA20 ASP 259 HA 0.01 0.10 0.34 -0.75 4.63 4.32 2k7zA20 ASP 259 HB2 0.01 0.01 0.05 -0.04 2.71 2.74 2k7zA20 ASP 259 HB3 -0.00 0.05 0.12 -0.04 2.70 2.83 2k7zA20 ARG 260 H 0.01 -0.05 -0.30 -0.55 8.46 7.57 2k7zA20 ARG 260 HA 0.02 0.05 0.41 -0.75 4.34 4.06 2k7zA20 ARG 260 HB2 0.00 -0.03 0.03 -0.04 1.90 1.87 2k7zA20 ARG 260 HB3 -0.00 0.02 -0.16 -0.04 1.80 1.62 2k7zA20 ARG 260 HG2 0.00 0.03 -0.02 -0.04 1.67 1.65 2k7zA20 ARG 260 HG3 0.01 -0.09 0.07 -0.04 1.67 1.61 2k7zA20 ARG 260 HD2 0.01 0.00 0.01 -0.04 3.22 3.20 2k7zA20 ARG 260 HD3 0.01 0.01 0.00 -0.04 3.22 3.20 2k7zA20 ASN 261 H 0.02 0.09 0.11 -0.55 8.53 8.19 2k7zA20 ASN 261 HA 0.05 0.06 0.36 -0.75 4.76 4.48 2k7zA20 ASN 261 HB2 0.03 0.01 0.01 -0.04 2.88 2.89 2k7zA20 ASN 261 HB3 0.03 0.03 0.12 -0.04 2.79 2.93 2k7zA20 ASN 261 HD21 -0.03 -0.02 -0.05 -0.04 7.03 6.90 2k7zA20 ASN 261 HD22 -0.01 0.02 0.02 -0.04 7.74 7.73 2k7zA20 GLY 262 H 0.09 0.24 0.23 -0.55 8.43 8.45 2k7zA20 GLY 262 HA2 0.01 -0.00 0.34 -0.51 4.01 3.85 2k7zA20 GLY 262 HA3 0.10 0.02 0.39 -0.51 4.01 4.01 2k7zA20 THR 263 H -0.14 0.39 0.34 -0.55 8.28 8.33 2k7zA20 THR 263 HA -0.11 0.01 0.76 -0.75 4.39 4.30 2k7zA20 THR 263 HB -0.27 0.01 -0.02 -0.04 4.32 3.99 2k7zA20 THR 263 HG23 -0.06 -0.01 -0.19 -0.04 1.22 0.92 2k7zA20 HIS 264 H -0.03 0.17 0.12 -0.55 8.41 8.12 2k7zA20 HIS 264 HA 0.00 -0.07 0.26 -0.75 4.63 4.07 2k7zA20 HIS 264 HB2 0.00 0.05 0.14 -0.04 3.26 3.41 2k7zA20 HIS 264 HB3 -0.01 0.03 0.04 -0.04 3.20 3.21 2k7zA20 HIS 264 HD2 0.00 -0.01 -0.06 -0.04 6.97 6.86 2k7zA20 HIS 264 HE1 -0.00 0.01 -0.07 -0.04 7.75 7.64 2k7zA20 LEU 265 H -0.07 -0.04 -0.65 -0.55 8.37 7.07 2k7zA20 LEU 265 HA 0.03 0.26 0.70 -0.75 4.35 4.59 2k7zA20 LEU 265 HB2 -0.07 -0.11 0.01 -0.04 1.64 1.43 2k7zA20 LEU 265 HB3 -0.01 0.02 -0.04 -0.04 1.64 1.56 2k7zA20 LEU 265 HG -0.08 0.15 -0.03 -0.04 1.64 1.64 2k7zA20 LEU 265 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.79 2k7zA20 LEU 265 HD23 0.02 0.01 0.04 -0.04 0.89 0.91 2k7zA20 ASP 266 H 0.01 -0.06 0.03 -0.55 8.40 7.83 2k7zA20 ASP 266 HA 0.01 0.29 0.73 -0.75 4.63 4.91 2k7zA20 ASP 266 HB2 0.03 -0.07 0.03 -0.04 2.71 2.66 2k7zA20 ASP 266 HB3 0.02 0.08 -0.03 -0.04 2.70 2.73 2k7zA20 ALA 267 H 0.03 -0.03 -0.01 -0.55 8.40 7.84 2k7zA20 ALA 267 HA 0.03 0.18 0.45 -0.75 4.34 4.25 2k7zA20 ALA 267 HB3 0.03 0.02 -0.01 -0.04 1.41 1.42 2k7zA20 GLY 268 H 0.04 0.05 -0.65 -0.55 8.43 7.33 2k7zA20 GLY 268 HA2 0.05 0.05 0.30 -0.51 4.01 3.90 2k7zA20 GLY 268 HA3 0.05 0.24 0.12 -0.51 4.01 3.92 2k7zA20 ALA 269 H 0.02 0.21 -0.54 -0.55 8.40 7.55 2k7zA20 ALA 269 HA 0.01 0.10 0.34 -0.75 4.34 4.04 2k7zA20 ALA 269 HB3 0.00 0.05 0.01 -0.04 1.41 1.43 2k7zA20 LEU 270 H 0.03 0.19 -0.28 -0.55 8.37 7.76 2k7zA20 LEU 270 HA 0.05 0.16 0.55 -0.75 4.35 4.36 2k7zA20 LEU 270 HB2 0.04 0.03 0.04 -0.04 1.64 1.71 2k7zA20 LEU 270 HB3 0.06 0.03 0.03 -0.04 1.64 1.72 2k7zA20 LEU 270 HG 0.02 -0.06 -0.00 -0.04 1.64 1.56 2k7zA20 LEU 270 HD13 0.03 -0.01 -0.06 -0.04 0.93 0.85 2k7zA20 LEU 270 HD23 -0.02 0.02 -0.10 -0.04 0.89 0.75 2k7zA20 THR 271 H 0.06 0.34 -0.16 -0.55 8.28 7.96 2k7zA20 THR 271 HA 0.10 0.06 0.37 -0.75 4.39 4.17 2k7zA20 THR 271 HB 0.05 -0.01 0.08 -0.04 4.32 4.40 2k7zA20 THR 271 HG23 0.05 0.01 -0.11 -0.04 1.22 1.12 2k7zA20 THR 272 H 0.05 0.70 0.01 -0.55 8.28 8.50 2k7zA20 THR 272 HA 0.04 -0.00 0.26 -0.75 4.39 3.93 2k7zA20 THR 272 HB 0.02 0.04 0.11 -0.04 4.32 4.45 2k7zA20 THR 272 HG23 0.01 0.01 -0.06 -0.04 1.22 1.14 2k7zA20 THR 273 H 0.05 0.17 -0.66 -0.55 8.28 7.29 2k7zA20 THR 273 HA -0.06 0.08 0.35 -0.75 4.39 4.01 2k7zA20 THR 273 HB -0.12 0.01 0.06 -0.04 4.32 4.24 2k7zA20 THR 273 HG23 -0.21 -0.03 -0.02 -0.04 1.22 0.92 2k7zA20 PHE 274 H 0.27 0.29 -0.06 -0.55 8.34 8.29 2k7zA20 PHE 274 HA 0.02 0.08 0.35 -0.75 4.62 4.32 2k7zA20 PHE 274 HB2 0.01 0.06 0.07 -0.04 3.15 3.24 2k7zA20 PHE 274 HB3 0.05 -0.04 -0.06 -0.04 3.06 2.97 2k7zA20 PHE 274 HD2 -0.55 0.16 0.02 -0.04 7.28 6.87 2k7zA20 PHE 274 HE2 -0.28 -0.01 -0.06 -0.04 7.38 6.99 2k7zA20 PHE 274 HZ -0.23 -0.05 -0.09 -0.04 7.32 6.91 2k7zA20 GLU 275 H 0.14 0.49 -0.39 -0.55 8.60 8.29 2k7zA20 GLU 275 HA 0.12 0.02 0.34 -0.75 4.29 4.02 2k7zA20 GLU 275 HB2 0.05 0.07 0.06 -0.04 2.09 2.24 2k7zA20 GLU 275 HB3 0.03 -0.02 -0.05 -0.04 1.99 1.92 2k7zA20 GLU 275 HG2 0.07 0.00 -0.02 -0.04 2.34 2.35 2k7zA20 GLU 275 HG3 0.08 0.03 -0.18 -0.04 2.34 2.22 2k7zA20 GLU 276 H 0.02 0.50 -0.13 -0.55 8.60 8.43 2k7zA20 GLU 276 HA -0.08 0.05 0.69 -0.75 4.29 4.20 2k7zA20 GLU 276 HB2 -0.05 -0.04 0.17 -0.04 2.09 2.13 2k7zA20 GLU 276 HB3 -0.03 -0.07 0.11 -0.04 1.99 1.96 2k7zA20 GLU 276 HG2 -0.03 0.17 0.19 -0.04 2.34 2.62 2k7zA20 GLU 276 HG3 -0.04 0.14 -0.01 -0.04 2.34 2.38 2k7zA20 LEU 277 H 0.07 0.23 -0.50 -0.55 8.37 7.62 2k7zA20 LEU 277 HA 0.09 0.21 0.54 -0.75 4.35 4.44 2k7zA20 LEU 277 HB2 0.03 0.01 0.06 -0.04 1.64 1.70 2k7zA20 LEU 277 HB3 0.35 -0.06 0.01 -0.04 1.64 1.90 2k7zA20 LEU 277 HG -0.16 -0.08 -0.10 -0.04 1.64 1.26 2k7zA20 LEU 277 HD13 0.10 -0.02 -0.15 -0.04 0.93 0.82 2k7zA20 LEU 277 HD23 -0.06 0.07 -0.12 -0.04 0.89 0.74 2k7zA20 HIS 278 H -0.01 0.19 -0.50 -0.55 8.41 7.54 2k7zA20 HIS 278 HA 0.04 0.03 0.25 -0.75 4.63 4.19 2k7zA20 HIS 278 HB2 -0.04 0.07 -0.11 -0.04 3.26 3.13 2k7zA20 HIS 278 HB3 -0.10 -0.08 0.14 -0.04 3.20 3.12 2k7zA20 HIS 278 HD2 -0.01 -0.00 -0.01 -0.04 6.97 6.90 2k7zA20 HIS 278 HE1 -0.01 -0.03 -0.01 -0.04 7.75 7.66 2k7zA20 PHE 279 H 0.29 0.23 0.01 -0.55 8.34 8.32 2k7zA20 PHE 279 HA 0.13 0.26 0.82 -0.75 4.62 5.07 2k7zA20 PHE 279 HB2 0.30 0.08 -0.09 -0.04 3.15 3.40 2k7zA20 PHE 279 HB3 0.23 -0.05 -0.01 -0.04 3.06 3.19 2k7zA20 PHE 279 HD2 0.19 -0.00 -0.18 -0.04 7.28 7.24 2k7zA20 PHE 279 HE2 0.16 -0.05 -0.03 -0.04 7.38 7.43 2k7zA20 PHE 279 HZ 0.04 -0.09 -0.01 -0.04 7.32 7.22 2k7zA20 GLU 280 H 0.34 0.57 0.02 -0.55 8.60 8.98 2k7zA20 GLU 280 HA 0.16 0.11 0.81 -0.75 4.29 4.61 2k7zA20 GLU 280 HB2 0.23 0.12 -0.31 -0.04 2.09 2.09 2k7zA20 GLU 280 HB3 0.33 -0.05 -0.11 -0.04 1.99 2.12 2k7zA20 GLU 280 HG2 0.13 0.02 -0.02 -0.04 2.34 2.44 2k7zA20 GLU 280 HG3 0.13 -0.03 -0.16 -0.04 2.34 2.24 2k7zA20 ILE 281 H 0.13 0.20 -0.01 -0.55 8.25 8.01 2k7zA20 ILE 281 HA 0.05 0.10 0.76 -0.75 4.18 4.34 2k7zA20 ILE 281 HB 0.06 -0.01 0.06 -0.04 1.89 1.96 2k7zA20 ILE 281 HG12 0.11 0.00 -0.03 -0.04 1.49 1.53 2k7zA20 ILE 281 HG13 0.09 0.02 -0.21 -0.04 1.21 1.07 2k7zA20 ILE 281 HG23 0.00 -0.02 -0.16 -0.04 0.93 0.71 2k7zA20 ILE 281 HD13 0.18 0.00 -0.28 -0.04 0.88 0.74 2k7zA20 LYS 282 H 0.02 0.52 0.10 -0.55 8.42 8.50 2k7zA20 LYS 282 HA -0.09 0.17 0.83 -0.75 4.32 4.47 2k7zA20 LYS 282 HB2 0.05 0.01 -0.14 -0.04 1.87 1.75 2k7zA20 LYS 282 HB3 0.07 -0.00 0.13 -0.04 1.79 1.94 2k7zA20 LYS 282 HG2 0.09 -0.04 -0.03 -0.04 1.46 1.45 2k7zA20 LYS 282 HG3 -0.24 0.03 -0.05 -0.04 1.46 1.17 2k7zA20 LYS 282 HD2 -0.03 -0.04 -0.02 -0.04 1.69 1.56 2k7zA20 LYS 282 HD3 -0.03 0.10 0.01 -0.04 1.68 1.71 2k7zA20 LYS 282 HE2 -0.03 0.02 -0.13 -0.04 2.99 2.81 2k7zA20 LYS 282 HE3 -0.09 -0.03 -0.05 -0.04 2.99 2.79 2k7zA20 PRO 283 HA -0.07 0.15 0.70 -0.51 4.44 4.70 2k7zA20 PRO 283 HB2 -0.04 -0.10 -0.02 -0.04 2.28 2.08 2k7zA20 PRO 283 HB3 -0.03 -0.03 0.03 -0.04 2.02 1.96 2k7zA20 PRO 283 HG2 -0.08 0.02 0.07 -0.04 2.03 2.00 2k7zA20 PRO 283 HG3 -0.02 -0.00 -0.01 -0.04 2.03 1.95 2k7zA20 PRO 283 HD2 -0.10 0.19 0.10 -0.04 3.68 3.83 2k7zA20 PRO 283 HD3 -0.04 0.07 -0.29 -0.04 3.65 3.34 2k7zA20 HIS 284 H 0.01 0.68 0.27 -0.55 8.41 8.83 2k7zA20 HIS 284 HA -0.02 0.14 0.81 -0.75 4.63 4.81 2k7zA20 HIS 284 HB2 -0.00 -0.05 0.15 -0.04 3.26 3.32 2k7zA20 HIS 284 HB3 -0.02 -0.01 0.09 -0.04 3.20 3.23 2k7zA20 HIS 284 HD2 0.02 0.01 -0.05 -0.04 6.97 6.90 2k7zA20 HIS 284 HE1 -0.01 -0.02 -0.05 -0.04 7.75 7.62 2k7zA20 ASP 285 H -0.01 0.19 0.03 -0.55 8.40 8.06 2k7zA20 ASP 285 HA -0.01 0.07 0.83 -0.75 4.63 4.77 2k7zA20 ASP 285 HB2 -0.11 -0.01 0.30 -0.04 2.71 2.85 2k7zA20 ASP 285 HB3 -0.03 -0.09 0.20 -0.04 2.70 2.74 2k7zA20 ASP 286 H -0.11 0.22 0.32 -0.55 8.40 8.29 2k7zA20 ASP 286 HA -0.01 -0.12 0.38 -0.75 4.63 4.12 2k7zA20 ASP 286 HB2 -0.14 0.19 -0.02 -0.04 2.71 2.70 2k7zA20 ASP 286 HB3 -0.18 -0.01 0.13 -0.04 2.70 2.61 2k7zA20 CYS 287 H -0.00 0.08 -0.29 -0.55 8.50 7.74 2k7zA20 CYS 287 HA -0.02 0.11 0.80 -0.75 4.58 4.71 2k7zA20 CYS 287 HB2 0.00 0.11 -0.14 -0.04 2.97 2.90 2k7zA20 CYS 287 HB3 -0.04 -0.05 -0.06 -0.04 2.97 2.79 2k7zA20 THR 288 H -0.03 0.18 0.09 -0.55 8.28 7.97 2k7zA20 THR 288 HA -0.03 0.16 0.65 -0.75 4.39 4.42 2k7zA20 THR 288 HB -0.06 -0.07 0.05 -0.04 4.32 4.20 2k7zA20 THR 288 HG23 -0.02 0.07 0.20 -0.04 1.22 1.43 2k7zA20 VAL 289 H -0.08 0.28 0.13 -0.55 8.24 8.02 2k7zA20 VAL 289 HA -0.24 0.10 0.27 -0.75 4.13 3.50 2k7zA20 VAL 289 HB -0.11 -0.03 -0.01 -0.04 2.12 1.93 2k7zA20 VAL 289 HG13 -0.28 -0.03 -0.18 -0.04 0.97 0.43 2k7zA20 VAL 289 HG23 -0.05 0.05 -0.34 -0.04 0.95 0.57 2k7zA20 GLU 290 H -0.22 0.08 -0.37 -0.55 8.60 7.54 2k7zA20 GLU 290 HA -0.43 0.08 0.33 -0.75 4.29 3.51 2k7zA20 GLU 290 HB2 -0.08 -0.02 0.07 -0.04 2.09 2.02 2k7zA20 GLU 290 HB3 -0.07 0.04 -0.04 -0.04 1.99 1.87 2k7zA20 GLU 290 HG2 0.05 0.05 0.07 -0.04 2.34 2.46 2k7zA20 GLU 290 HG3 0.04 -0.01 0.05 -0.04 2.34 2.38 2k7zA20 GLN 291 H -0.20 0.43 -0.31 -0.55 8.47 7.84 2k7zA20 GLN 291 HA -0.06 0.16 0.74 -0.75 4.36 4.45 2k7zA20 GLN 291 HB2 -0.08 0.03 0.05 -0.04 2.15 2.11 2k7zA20 GLN 291 HB3 -0.05 0.04 0.07 -0.04 2.02 2.04 2k7zA20 GLN 291 HG2 -0.04 0.05 -0.09 -0.04 2.40 2.28 2k7zA20 GLN 291 HG3 -0.06 -0.11 0.02 -0.04 2.39 2.19 2k7zA20 GLN 291 HE21 -0.02 -0.06 0.02 -0.04 6.97 6.87 2k7zA20 GLN 291 HE22 -0.01 0.07 0.05 -0.04 7.69 7.75 2k7zA20 ILE 292 H -0.22 0.32 -0.09 -0.55 8.25 7.71 2k7zA20 ILE 292 HA -0.10 0.06 0.30 -0.75 4.18 3.69 2k7zA20 ILE 292 HB -0.22 0.04 0.06 -0.04 1.89 1.72 2k7zA20 ILE 292 HG12 -0.07 0.03 -0.07 -0.04 1.49 1.35 2k7zA20 ILE 292 HG13 -0.11 0.07 -0.46 -0.04 1.21 0.67 2k7zA20 ILE 292 HG23 -0.08 0.00 -0.05 -0.04 0.93 0.76 2k7zA20 ILE 292 HD13 -0.05 0.02 -0.05 -0.04 0.88 0.75 2k7zA20 TYR 293 H -0.35 0.38 -0.49 -0.55 8.29 7.28 2k7zA20 TYR 293 HA -0.06 -0.02 0.42 -0.75 4.56 4.15 2k7zA20 TYR 293 HB2 -0.04 0.13 -0.02 -0.04 3.06 3.09 2k7zA20 TYR 293 HB3 -0.04 -0.01 0.03 -0.04 2.98 2.93 2k7zA20 TYR 293 HD2 -0.05 0.05 0.01 -0.04 7.15 7.12 2k7zA20 TYR 293 HE2 -0.06 -0.07 -0.02 -0.04 6.85 6.66 2k7zA20 GLU 294 H 0.02 0.63 -0.28 -0.55 8.60 8.42 2k7zA20 GLU 294 HA 0.03 0.06 0.47 -0.75 4.29 4.09 2k7zA20 GLU 294 HB2 0.00 -0.02 0.11 -0.04 2.09 2.15 2k7zA20 GLU 294 HB3 0.01 0.02 0.14 -0.04 1.99 2.11 2k7zA20 GLU 294 HG2 -0.04 -0.03 0.01 -0.04 2.34 2.24 2k7zA20 GLU 294 HG3 -0.05 -0.02 -0.04 -0.04 2.34 2.19 2k7zA20 ILE 295 H -0.02 0.47 -0.31 -0.55 8.25 7.84 2k7zA20 ILE 295 HA 0.02 0.12 0.58 -0.75 4.18 4.14 2k7zA20 ILE 295 HB -0.08 0.06 0.12 -0.04 1.89 1.95 2k7zA20 ILE 295 HG12 -0.11 0.03 -0.07 -0.04 1.49 1.30 2k7zA20 ILE 295 HG13 -0.08 -0.04 0.02 -0.04 1.21 1.08 2k7zA20 ILE 295 HG23 0.07 -0.00 -0.03 -0.04 0.93 0.93 2k7zA20 ILE 295 HD13 -0.10 -0.01 -0.01 -0.04 0.88 0.71 2k7zA20 LEU 296 H -0.06 0.40 0.08 -0.55 8.37 8.24 2k7zA20 LEU 296 HA -0.45 0.06 0.33 -0.75 4.35 3.53 2k7zA20 LEU 296 HB2 -0.04 0.01 0.09 -0.04 1.64 1.66 2k7zA20 LEU 296 HB3 -0.03 0.06 -0.01 -0.04 1.64 1.61 2k7zA20 LEU 296 HG -0.06 -0.06 -0.04 -0.04 1.64 1.43 2k7zA20 LEU 296 HD13 -0.14 0.01 -0.05 -0.04 0.93 0.72 2k7zA20 LEU 296 HD23 -0.35 0.00 -0.06 -0.04 0.89 0.44 2k7zA20 LYS 297 H 0.01 0.33 -0.31 -0.55 8.42 7.89 2k7zA20 LYS 297 HA 0.04 0.08 0.48 -0.75 4.32 4.17 2k7zA20 LYS 297 HB2 0.02 -0.01 0.05 -0.04 1.87 1.89 2k7zA20 LYS 297 HB3 0.02 0.03 0.08 -0.04 1.79 1.88 2k7zA20 LYS 297 HG2 0.03 0.05 -0.12 -0.04 1.46 1.37 2k7zA20 LYS 297 HG3 0.04 0.01 -0.15 -0.04 1.46 1.32 2k7zA20 LYS 297 HD2 0.02 -0.05 -0.01 -0.04 1.69 1.61 2k7zA20 LYS 297 HD3 0.02 -0.04 0.03 -0.04 1.68 1.65 2k7zA20 LYS 297 HE2 0.02 0.13 0.05 -0.04 2.99 3.15 2k7zA20 LYS 297 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.91 2k7zA20 ILE 298 H 0.08 0.30 -0.42 -0.55 8.25 7.66 2k7zA20 ILE 298 HA 0.09 0.00 0.32 -0.75 4.18 3.83 2k7zA20 ILE 298 HB 0.19 0.16 0.16 -0.04 1.89 2.36 2k7zA20 ILE 298 HG12 0.05 -0.05 0.06 -0.04 1.49 1.50 2k7zA20 ILE 298 HG13 0.05 0.15 0.20 -0.04 1.21 1.57 2k7zA20 ILE 298 HG23 0.09 -0.01 -0.03 -0.04 0.93 0.93 2k7zA20 ILE 298 HD13 0.03 -0.01 0.03 -0.04 0.88 0.89 2k7zA20 TYR 299 H 0.34 0.32 -0.32 -0.55 8.29 8.08 2k7zA20 TYR 299 HA 0.04 0.03 0.33 -0.75 4.56 4.21 2k7zA20 TYR 299 HB2 0.04 0.25 0.10 -0.04 3.06 3.41 2k7zA20 TYR 299 HB3 0.01 -0.02 0.00 -0.04 2.98 2.93 2k7zA20 TYR 299 HD2 0.02 -0.00 -0.04 -0.04 7.15 7.10 2k7zA20 TYR 299 HE2 0.04 -0.02 -0.07 -0.04 6.85 6.76 2k7zA20 GLN 300 H 0.15 0.33 -0.42 -0.55 8.47 7.99 2k7zA20 GLN 300 HA 0.09 0.05 0.65 -0.75 4.36 4.40 2k7zA20 GLN 300 HB2 0.11 -0.02 0.06 -0.04 2.15 2.25 2k7zA20 GLN 300 HB3 0.07 0.10 0.10 -0.04 2.02 2.25 2k7zA20 GLN 300 HG2 0.05 -0.01 -0.03 -0.04 2.40 2.36 2k7zA20 GLN 300 HG3 0.08 0.01 0.09 -0.04 2.39 2.53 2k7zA20 GLN 300 HE21 0.06 0.03 0.02 -0.04 6.97 7.05 2k7zA20 GLN 300 HE22 0.03 -0.07 0.03 -0.04 7.69 7.64 2k7zA20 LEU 301 H 0.08 0.23 -0.06 -0.55 8.37 8.07 2k7zA20 LEU 301 HA 0.03 0.02 0.36 -0.75 4.35 4.00 2k7zA20 LEU 301 HB2 0.06 0.04 0.15 -0.04 1.64 1.86 2k7zA20 LEU 301 HB3 0.04 -0.01 -0.03 -0.04 1.64 1.60 2k7zA20 LEU 301 HG 0.03 -0.00 0.02 -0.04 1.64 1.64 2k7zA20 LEU 301 HD13 0.04 -0.03 -0.13 -0.04 0.93 0.77 2k7zA20 LEU 301 HD23 0.03 -0.02 -0.02 -0.04 0.89 0.84 2k7zA20 MET 302 H 0.06 0.32 -0.42 -0.55 8.47 7.89 2k7zA20 MET 302 HA 0.16 0.01 0.43 -0.75 4.52 4.37 2k7zA20 MET 302 HB2 -0.02 0.06 0.10 -0.04 2.15 2.24 2k7zA20 MET 302 HB3 0.10 -0.05 -0.00 -0.04 2.03 2.03 2k7zA20 MET 302 HG2 0.04 -0.05 -0.03 -0.04 2.63 2.55 2k7zA20 MET 302 HG3 -0.03 0.07 -0.01 -0.04 2.56 2.55 2k7zA20 MET 302 HE3 -0.37 -0.01 -0.05 -0.04 2.10 1.63 2k7zA20 ASP 303 H 0.02 0.18 -0.09 -0.55 8.40 7.96 2k7zA20 ASP 303 HA -0.00 -0.02 0.22 -0.75 4.63 4.08 2k7zA20 ASP 303 HB2 -0.00 0.15 -0.01 -0.04 2.71 2.80 2k7zA20 ASP 303 HB3 -0.06 0.09 -0.05 -0.04 2.70 2.64 2k7zA20 HIS 304 H 0.06 0.05 -0.14 -0.55 8.41 7.84 2k7zA20 HIS 304 HA -0.03 0.15 0.84 -0.75 4.63 4.84 2k7zA20 HIS 304 HB2 -0.09 0.05 -0.04 -0.04 3.26 3.14 2k7zA20 HIS 304 HB3 -0.06 -0.22 0.03 -0.04 3.20 2.91 2k7zA20 HIS 304 HD2 -0.05 -0.15 -0.21 -0.04 6.97 6.51 2k7zA20 HIS 304 HE1 -0.01 -0.06 -0.00 -0.04 7.75 7.64 2k7zA20 SER 305 H 0.08 0.07 0.15 -0.55 8.46 8.21 2k7zA20 SER 305 HA 0.02 0.21 0.72 -0.75 4.49 4.69 2k7zA20 SER 305 HB2 0.02 -0.04 0.05 -0.04 3.95 3.93 2k7zA20 SER 305 HB3 0.01 -0.02 0.09 -0.04 3.93 3.98 2k7zA20 ASN 306 H 0.05 0.03 -0.01 -0.55 8.53 8.05 2k7zA20 ASN 306 HA -0.01 0.16 0.72 -0.75 4.76 4.88 2k7zA20 ASN 306 HB2 -0.03 -0.09 0.11 -0.04 2.88 2.83 2k7zA20 ASN 306 HB3 0.00 0.01 0.01 -0.04 2.79 2.78 2k7zA20 ASN 306 HD21 0.06 -0.00 0.01 -0.04 7.03 7.05 2k7zA20 ASN 306 HD22 0.06 0.05 -0.01 -0.04 7.74 7.81 2k7zA20 MET 307 H -0.05 0.07 0.04 -0.55 8.47 7.98 2k7zA20 MET 307 HA -0.07 0.19 0.36 -0.75 4.52 4.24 2k7zA20 MET 307 HB2 -0.16 -0.11 -0.14 -0.04 2.15 1.69 2k7zA20 MET 307 HB3 -0.18 0.13 0.02 -0.04 2.03 1.95 2k7zA20 MET 307 HG2 -0.15 0.15 0.09 -0.04 2.63 2.67 2k7zA20 MET 307 HG3 -0.14 0.14 0.07 -0.04 2.56 2.59 2k7zA20 MET 307 HE3 -0.84 0.03 0.12 -0.04 2.10 1.37 2k7zA20 ASP 308 H -0.02 0.05 -0.03 -0.55 8.40 7.86 2k7zA20 ASP 308 HA 0.03 0.15 0.29 -0.75 4.63 4.34 2k7zA20 ASP 308 HB2 0.01 0.00 0.06 -0.04 2.71 2.74 2k7zA20 ASP 308 HB3 0.00 -0.02 0.04 -0.04 2.70 2.68 2k7zA20 CYS 309 H 0.05 0.07 -0.47 -0.55 8.50 7.59 2k7zA20 CYS 309 HA 0.23 -0.02 0.50 -0.75 4.58 4.54 2k7zA20 CYS 309 HB2 0.55 -0.04 -0.03 -0.04 2.97 3.41 2k7zA20 CYS 309 HB3 0.20 -0.01 0.01 -0.04 2.97 3.13 2k7zA20 PHE 310 H 0.27 0.18 0.08 -0.55 8.34 8.32 2k7zA20 PHE 310 HA 0.02 0.03 0.46 -0.75 4.62 4.37 2k7zA20 PHE 310 HB2 -0.04 0.22 -0.34 -0.04 3.15 2.96 2k7zA20 PHE 310 HB3 -0.03 0.02 0.08 -0.04 3.06 3.09 2k7zA20 PHE 310 HD2 -0.12 0.03 0.05 -0.04 7.28 7.20 2k7zA20 PHE 310 HE2 -0.67 -0.02 0.01 -0.04 7.38 6.66 2k7zA20 PHE 310 HZ -0.85 -0.07 -0.03 -0.04 7.32 6.33 2k7zA20 ILE 311 H -0.22 0.24 0.10 -0.55 8.25 7.82 2k7zA20 ILE 311 HA -0.19 0.34 1.03 -0.75 4.18 4.61 2k7zA20 ILE 311 HB -0.27 -0.05 -0.00 -0.04 1.89 1.52 2k7zA20 ILE 311 HG12 0.02 0.06 -0.33 -0.04 1.49 1.21 2k7zA20 ILE 311 HG13 0.01 -0.01 -0.18 -0.04 1.21 0.99 2k7zA20 ILE 311 HG23 -0.45 -0.01 -0.19 -0.04 0.93 0.24 2k7zA20 ILE 311 HD13 -0.10 0.00 -0.13 -0.04 0.88 0.61 2k7zA20 CYS 312 H -0.16 0.64 0.39 -0.55 8.50 8.82 2k7zA20 CYS 312 HA -0.13 0.11 0.90 -0.75 4.58 4.70 2k7zA20 CYS 312 HB2 -0.06 0.06 0.02 -0.04 2.97 2.95 2k7zA20 CYS 312 HB3 0.05 -0.04 0.16 -0.04 2.97 3.11 2k7zA20 CYS 313 H -0.04 0.27 0.16 -0.55 8.50 8.34 2k7zA20 CYS 313 HA 0.07 0.15 0.98 -0.75 4.58 5.02 2k7zA20 CYS 313 HB2 0.00 0.01 0.05 -0.04 2.97 2.99 2k7zA20 CYS 313 HB3 0.02 -0.02 0.13 -0.04 2.97 3.07 2k7zA20 ILE 314 H 0.08 0.42 0.22 -0.55 8.25 8.43 2k7zA20 ILE 314 HA 0.05 0.04 0.93 -0.75 4.18 4.45 2k7zA20 ILE 314 HB 0.09 0.06 0.05 -0.04 1.89 2.05 2k7zA20 ILE 314 HG12 0.08 -0.06 -0.51 -0.04 1.49 0.96 2k7zA20 ILE 314 HG13 0.07 0.06 -0.10 -0.04 1.21 1.19 2k7zA20 ILE 314 HG23 0.05 0.02 0.06 -0.04 0.93 1.02 2k7zA20 ILE 314 HD13 0.02 -0.01 -0.04 -0.04 0.88 0.81 2k7zA20 LEU 315 H 0.06 0.21 0.32 -0.55 8.37 8.41 2k7zA20 LEU 315 HA 0.07 0.17 0.84 -0.75 4.35 4.67 2k7zA20 LEU 315 HB2 0.06 -0.03 -0.01 -0.04 1.64 1.62 2k7zA20 LEU 315 HB3 0.07 -0.02 0.19 -0.04 1.64 1.83 2k7zA20 LEU 315 HG 0.09 0.03 -0.01 -0.04 1.64 1.70 2k7zA20 LEU 315 HD13 0.06 0.01 -0.02 -0.04 0.93 0.93 2k7zA20 LEU 315 HD23 0.08 -0.03 -0.06 -0.04 0.89 0.84 2k7zA20 SER 316 H 0.07 -0.04 0.21 -0.55 8.46 8.15 2k7zA20 SER 316 HA 0.11 -0.08 0.50 -0.75 4.49 4.27 2k7zA20 SER 316 HB2 0.08 0.25 0.12 -0.04 3.95 4.36 2k7zA20 SER 316 HB3 0.06 -0.17 0.24 -0.04 3.93 4.02 2k7zA20 HIS 317 H 0.19 -0.08 0.20 -0.55 8.41 8.17 2k7zA20 HIS 317 HA 0.05 0.15 0.63 -0.75 4.63 4.71 2k7zA20 HIS 317 HB2 0.04 -0.10 0.13 -0.04 3.26 3.29 2k7zA20 HIS 317 HB3 0.04 0.05 0.04 -0.04 3.20 3.29 2k7zA20 HIS 317 HD2 0.03 -0.04 0.08 -0.04 6.97 6.99 2k7zA20 HIS 317 HE1 0.00 -0.04 0.17 -0.04 7.75 7.84 2k7zA20 GLY 318 H -0.27 0.02 0.09 -0.55 8.43 7.73 2k7zA20 GLY 318 HA2 0.07 -0.02 0.18 -0.51 4.01 3.73 2k7zA20 GLY 318 HA3 0.09 0.13 0.71 -0.51 4.01 4.43 2k7zA20 ASP 319 H -0.02 0.04 0.07 -0.55 8.40 7.93 2k7zA20 ASP 319 HA 0.05 0.22 0.82 -0.75 4.63 4.96 2k7zA20 ASP 319 HB2 -0.09 -0.06 0.16 -0.04 2.71 2.67 2k7zA20 ASP 319 HB3 0.02 0.03 0.13 -0.04 2.70 2.84 2k7zA20 LYS 320 H 0.03 0.16 0.23 -0.55 8.42 8.29 2k7zA20 LYS 320 HA 0.06 0.15 0.72 -0.75 4.32 4.50 2k7zA20 LYS 320 HB2 0.06 -0.05 -0.00 -0.04 1.87 1.84 2k7zA20 LYS 320 HB3 0.06 0.13 0.03 -0.04 1.79 1.97 2k7zA20 LYS 320 HG2 0.13 0.22 -0.09 -0.04 1.46 1.68 2k7zA20 LYS 320 HG3 0.13 0.08 -0.12 -0.04 1.46 1.51 2k7zA20 LYS 320 HD2 0.17 0.01 -0.13 -0.04 1.69 1.70 2k7zA20 LYS 320 HD3 0.11 -0.16 -0.44 -0.04 1.68 1.15 2k7zA20 LYS 320 HE2 0.06 -0.10 -0.04 -0.04 2.99 2.87 2k7zA20 LYS 320 HE3 0.09 0.09 -0.09 -0.04 2.99 3.03 2k7zA20 GLY 321 H 0.02 0.42 0.20 -0.55 8.43 8.53 2k7zA20 GLY 321 HA2 -0.00 -0.07 0.21 -0.51 4.01 3.63 2k7zA20 GLY 321 HA3 0.01 0.07 0.35 -0.51 4.01 3.92 2k7zA20 ILE 322 H 0.02 0.62 -0.12 -0.55 8.25 8.22 2k7zA20 ILE 322 HA -0.02 0.03 0.56 -0.75 4.18 4.00 2k7zA20 ILE 322 HB 0.04 0.06 0.04 -0.04 1.89 2.00 2k7zA20 ILE 322 HG12 0.04 0.06 0.02 -0.04 1.49 1.56 2k7zA20 ILE 322 HG13 0.05 0.04 -0.25 -0.04 1.21 1.02 2k7zA20 ILE 322 HG23 0.05 0.05 0.10 -0.04 0.93 1.08 2k7zA20 ILE 322 HD13 0.15 -0.03 0.14 -0.04 0.88 1.10 2k7zA20 ILE 323 H -0.08 0.12 0.10 -0.55 8.25 7.83 2k7zA20 ILE 323 HA -0.31 0.13 0.55 -0.75 4.18 3.79 2k7zA20 ILE 323 HB -0.54 -0.12 0.04 -0.04 1.89 1.23 2k7zA20 ILE 323 HG12 -0.10 0.07 0.04 -0.04 1.49 1.45 2k7zA20 ILE 323 HG13 -0.10 -0.01 -0.09 -0.04 1.21 0.97 2k7zA20 ILE 323 HG23 -0.22 0.04 -0.03 -0.04 0.93 0.68 2k7zA20 ILE 323 HD13 -0.10 -0.01 -0.03 -0.04 0.88 0.71 2k7zA20 TYR 324 H -0.79 0.14 0.08 -0.55 8.29 7.17 2k7zA20 TYR 324 HA 0.05 0.21 0.44 -0.75 4.56 4.51 2k7zA20 TYR 324 HB2 0.05 -0.07 0.03 -0.04 3.06 3.03 2k7zA20 TYR 324 HB3 0.05 0.00 0.13 -0.04 2.98 3.12 2k7zA20 TYR 324 HD2 0.04 0.16 0.01 -0.04 7.15 7.32 2k7zA20 TYR 324 HE2 0.03 0.05 0.00 -0.04 6.85 6.89 2k7zA20 GLY 325 H -0.06 0.05 -0.18 -0.55 8.43 7.70 2k7zA20 GLY 325 HA2 0.04 0.07 0.19 -0.51 4.01 3.80 2k7zA20 GLY 325 HA3 0.06 0.06 0.52 -0.51 4.01 4.14 2k7zA20 THR 326 H 0.06 0.01 0.11 -0.55 8.28 7.92 2k7zA20 THR 326 HA 0.08 0.27 0.83 -0.75 4.39 4.80 2k7zA20 THR 326 HB 0.04 0.08 0.03 -0.04 4.32 4.43 2k7zA20 THR 326 HG23 0.05 0.05 -0.10 -0.04 1.22 1.17 2k7zA20 ASP 327 H 0.05 -0.02 0.15 -0.55 8.40 8.03 2k7zA20 ASP 327 HA 0.03 0.18 0.77 -0.75 4.63 4.86 2k7zA20 ASP 327 HB2 0.05 -0.29 0.13 -0.04 2.71 2.55 2k7zA20 ASP 327 HB3 0.05 0.25 -0.04 -0.04 2.70 2.92 2k7zA20 GLY 328 H 0.07 -0.08 0.03 -0.55 8.43 7.90 2k7zA20 GLY 328 HA2 0.10 0.09 0.64 -0.51 4.01 4.33 2k7zA20 GLY 328 HA3 0.10 0.01 0.32 -0.51 4.01 3.93 2k7zA20 GLN 329 H 0.08 -0.11 -0.94 -0.55 8.47 6.95 2k7zA20 GLN 329 HA 0.19 0.03 0.47 -0.75 4.36 4.30 2k7zA20 GLN 329 HB2 0.02 -0.12 -0.10 -0.04 2.15 1.90 2k7zA20 GLN 329 HB3 0.03 -0.13 -0.07 -0.04 2.02 1.82 2k7zA20 GLN 329 HG2 0.22 0.01 -0.56 -0.04 2.40 2.03 2k7zA20 GLN 329 HG3 0.08 -0.00 -0.60 -0.04 2.39 1.83 2k7zA20 GLN 329 HE21 -0.07 -0.22 -0.04 -0.04 6.97 6.60 2k7zA20 GLN 329 HE22 -0.05 0.06 -0.04 -0.04 7.69 7.62 2k7zA20 GLU 330 H 0.16 -0.00 0.19 -0.55 8.60 8.39 2k7zA20 GLU 330 HA 0.06 0.13 0.81 -0.75 4.29 4.53 2k7zA20 GLU 330 HB2 0.09 0.34 0.02 -0.04 2.09 2.50 2k7zA20 GLU 330 HB3 0.11 -0.04 0.09 -0.04 1.99 2.11 2k7zA20 GLU 330 HG2 0.07 0.22 0.03 -0.04 2.34 2.62 2k7zA20 GLU 330 HG3 0.08 -0.11 0.14 -0.04 2.34 2.40 2k7zA20 ALA 331 H 0.06 -0.11 0.04 -0.55 8.40 7.84 2k7zA20 ALA 331 HA 0.12 0.01 0.30 -0.75 4.34 4.02 2k7zA20 ALA 331 HB3 0.12 0.05 -0.02 -0.04 1.41 1.52 2k7zA20 PRO 332 HA 0.10 0.16 0.59 -0.51 4.44 4.79 2k7zA20 PRO 332 HB2 0.04 -0.09 0.15 -0.04 2.28 2.34 2k7zA20 PRO 332 HB3 0.02 0.10 0.10 -0.04 2.02 2.20 2k7zA20 PRO 332 HG2 -0.03 -0.03 0.15 -0.04 2.03 2.07 2k7zA20 PRO 332 HG3 -0.08 0.12 0.07 -0.04 2.03 2.10 2k7zA20 PRO 332 HD2 0.13 0.14 0.16 -0.04 3.68 4.07 2k7zA20 PRO 332 HD3 0.02 0.11 0.11 -0.04 3.65 3.85 2k7zA20 ILE 333 H 0.04 0.50 0.18 -0.55 8.25 8.42 2k7zA20 ILE 333 HA -0.07 0.04 0.36 -0.75 4.18 3.76 2k7zA20 ILE 333 HB -0.04 0.15 0.12 -0.04 1.89 2.08 2k7zA20 ILE 333 HG12 -0.10 -0.00 0.01 -0.04 1.49 1.35 2k7zA20 ILE 333 HG13 -0.10 -0.05 0.10 -0.04 1.21 1.12 2k7zA20 ILE 333 HG23 -0.58 0.01 -0.06 -0.04 0.93 0.27 2k7zA20 ILE 333 HD13 0.11 0.02 -0.00 -0.04 0.88 0.97 2k7zA20 TYR 334 H 0.11 0.02 -0.49 -0.55 8.29 7.38 2k7zA20 TYR 334 HA -0.02 0.20 0.62 -0.75 4.56 4.60 2k7zA20 TYR 334 HB2 -0.05 -0.03 -0.02 -0.04 3.06 2.92 2k7zA20 TYR 334 HB3 -0.05 0.07 0.06 -0.04 2.98 3.02 2k7zA20 TYR 334 HD2 -0.08 -0.02 -0.02 -0.04 7.15 6.99 2k7zA20 TYR 334 HE2 -0.28 0.05 -0.04 -0.04 6.85 6.54 2k7zA20 GLU 335 H 0.04 0.33 -0.15 -0.55 8.60 8.27 2k7zA20 GLU 335 HA 0.01 0.23 0.76 -0.75 4.29 4.54 2k7zA20 GLU 335 HB2 -0.02 -0.00 0.11 -0.04 2.09 2.13 2k7zA20 GLU 335 HB3 -0.03 0.06 0.02 -0.04 1.99 2.00 2k7zA20 GLU 335 HG2 0.00 0.09 -0.09 -0.04 2.34 2.30 2k7zA20 GLU 335 HG3 0.05 -0.15 -0.19 -0.04 2.34 2.01 2k7zA20 LEU 336 H -0.00 0.55 0.17 -0.55 8.37 8.54 2k7zA20 LEU 336 HA -0.01 0.13 0.44 -0.75 4.35 4.16 2k7zA20 LEU 336 HB2 -0.01 -0.00 0.03 -0.04 1.64 1.61 2k7zA20 LEU 336 HB3 -0.02 0.04 -0.06 -0.04 1.64 1.56 2k7zA20 LEU 336 HG 0.01 0.03 0.00 -0.04 1.64 1.64 2k7zA20 LEU 336 HD13 0.05 -0.00 -0.13 -0.04 0.93 0.80 2k7zA20 LEU 336 HD23 -0.02 0.00 -0.05 -0.04 0.89 0.78 2k7zA20 THR 337 H -0.01 0.21 -0.12 -0.55 8.28 7.81 2k7zA20 THR 337 HA 0.32 0.10 0.39 -0.75 4.39 4.44 2k7zA20 THR 337 HB -0.00 -0.00 0.08 -0.04 4.32 4.36 2k7zA20 THR 337 HG23 -0.08 -0.01 0.06 -0.04 1.22 1.15 2k7zA20 SER 338 H -0.03 0.04 -0.95 -0.55 8.46 6.98 2k7zA20 SER 338 HA -0.16 0.05 0.46 -0.75 4.49 4.09 2k7zA20 SER 338 HB2 -0.03 0.08 -0.08 -0.04 3.95 3.88 2k7zA20 SER 338 HB3 -0.03 0.13 -0.01 -0.04 3.93 3.98 2k7zA20 GLN 339 H 0.02 0.36 -0.52 -0.55 8.47 7.78 2k7zA20 GLN 339 HA -0.01 0.15 0.73 -0.75 4.36 4.49 2k7zA20 GLN 339 HB2 0.09 0.13 0.08 -0.04 2.15 2.41 2k7zA20 GLN 339 HB3 0.05 -0.02 0.06 -0.04 2.02 2.07 2k7zA20 GLN 339 HG2 0.00 0.17 0.06 -0.04 2.40 2.59 2k7zA20 GLN 339 HG3 -0.00 -0.09 -0.00 -0.04 2.39 2.25 2k7zA20 GLN 339 HE21 -0.02 0.21 -0.09 -0.04 6.97 7.03 2k7zA20 GLN 339 HE22 -0.02 -0.05 -0.05 -0.04 7.69 7.52 2k7zA20 PHE 340 H 0.00 0.17 -0.09 -0.55 8.34 7.86 2k7zA20 PHE 340 HA 0.01 0.27 0.83 -0.75 4.62 4.97 2k7zA20 PHE 340 HB2 0.04 -0.02 0.13 -0.04 3.15 3.26 2k7zA20 PHE 340 HB3 0.06 0.00 -0.05 -0.04 3.06 3.03 2k7zA20 PHE 340 HD2 -0.01 -0.04 -0.02 -0.04 7.28 7.17 2k7zA20 PHE 340 HE2 -0.15 -0.04 -0.00 -0.04 7.38 7.15 2k7zA20 PHE 340 HZ -0.48 -0.04 -0.03 -0.04 7.32 6.73 2k7zA20 THR 341 H -0.32 0.09 -0.30 -0.55 8.28 7.20 2k7zA20 THR 341 HA -0.51 0.07 0.31 -0.75 4.39 3.50 2k7zA20 THR 341 HB -0.15 -0.05 -0.02 -0.04 4.32 4.05 2k7zA20 THR 341 HG23 -0.15 -0.02 -0.04 -0.04 1.22 0.97 2k7zA20 GLY 342 H -0.14 0.20 0.16 -0.55 8.43 8.10 2k7zA20 GLY 342 HA2 -0.02 0.05 0.22 -0.51 4.01 3.75 2k7zA20 GLY 342 HA3 -0.02 0.07 0.34 -0.51 4.01 3.88 2k7zA20 LEU 343 H -0.07 -0.02 -0.68 -0.55 8.37 7.05 2k7zA20 LEU 343 HA -0.02 0.19 0.72 -0.75 4.35 4.48 2k7zA20 LEU 343 HB2 -0.05 0.00 -0.08 -0.04 1.64 1.48 2k7zA20 LEU 343 HB3 -0.03 0.03 0.08 -0.04 1.64 1.69 2k7zA20 LEU 343 HG -0.03 0.00 -0.24 -0.04 1.64 1.33 2k7zA20 LEU 343 HD13 -0.05 -0.02 -0.06 -0.04 0.93 0.76 2k7zA20 LEU 343 HD23 -0.02 0.01 -0.03 -0.04 0.89 0.82 2k7zA20 LYS 344 H -0.05 0.31 -0.14 -0.55 8.42 7.98 2k7zA20 LYS 344 HA -0.03 0.15 0.80 -0.75 4.32 4.49 2k7zA20 LYS 344 HB2 -0.06 0.02 -0.04 -0.04 1.87 1.75 2k7zA20 LYS 344 HB3 -0.03 0.02 0.04 -0.04 1.79 1.77 2k7zA20 LYS 344 HG2 -0.06 -0.19 -0.25 -0.04 1.46 0.91 2k7zA20 LYS 344 HG3 -0.06 0.08 -0.03 -0.04 1.46 1.41 2k7zA20 LYS 344 HD2 -0.03 -0.01 -0.03 -0.04 1.69 1.58 2k7zA20 LYS 344 HD3 -0.03 0.17 -0.09 -0.04 1.68 1.68 2k7zA20 LYS 344 HE2 -0.03 -0.04 -0.21 -0.04 2.99 2.66 2k7zA20 LYS 344 HE3 -0.04 -0.03 -0.08 -0.04 2.99 2.80 2k7zA20 CYS 345 H -0.03 0.50 -0.06 -0.55 8.50 8.36 2k7zA20 CYS 345 HA 0.00 0.10 0.38 -0.75 4.58 4.31 2k7zA20 CYS 345 HB2 0.01 0.06 -0.12 -0.04 2.97 2.88 2k7zA20 CYS 345 HB3 0.04 -0.06 0.15 -0.04 2.97 3.06 2k7zA20 PRO 346 HA 0.03 0.00 0.42 -0.51 4.44 4.38 2k7zA20 PRO 346 HB2 0.01 0.00 0.15 -0.04 2.28 2.40 2k7zA20 PRO 346 HB3 0.00 0.10 0.18 -0.04 2.02 2.26 2k7zA20 PRO 346 HG2 0.00 0.02 0.07 -0.04 2.03 2.08 2k7zA20 PRO 346 HG3 -0.00 0.09 0.03 -0.04 2.03 2.11 2k7zA20 PRO 346 HD2 -0.00 0.14 -0.08 -0.04 3.68 3.70 2k7zA20 PRO 346 HD3 -0.01 0.07 -0.24 -0.04 3.65 3.43 2k7zA20 SER 347 H 0.07 0.63 0.27 -0.55 8.46 8.88 2k7zA20 SER 347 HA 0.02 0.18 0.68 -0.75 4.49 4.61 2k7zA20 SER 347 HB2 0.08 -0.02 0.25 -0.04 3.95 4.22 2k7zA20 SER 347 HB3 0.03 0.00 0.14 -0.04 3.93 4.07 2k7zA20 LEU 348 H 0.11 0.15 0.21 -0.55 8.37 8.30 2k7zA20 LEU 348 HA 0.03 0.30 0.83 -0.75 4.35 4.76 2k7zA20 LEU 348 HB2 0.03 -0.00 0.11 -0.04 1.64 1.74 2k7zA20 LEU 348 HB3 -0.00 0.07 0.20 -0.04 1.64 1.87 2k7zA20 LEU 348 HG 0.00 0.17 -0.13 -0.04 1.64 1.63 2k7zA20 LEU 348 HD13 0.00 -0.06 0.06 -0.04 0.93 0.90 2k7zA20 LEU 348 HD23 -0.14 -0.02 0.02 -0.04 0.89 0.71 2k7zA20 ALA 349 H 0.09 0.07 -0.10 -0.55 8.40 7.91 2k7zA20 ALA 349 HA 0.15 0.12 0.42 -0.75 4.34 4.27 2k7zA20 ALA 349 HB3 0.05 -0.01 0.08 -0.04 1.41 1.48 2k7zA20 GLY 350 H 0.05 0.08 -0.38 -0.55 8.43 7.64 2k7zA20 GLY 350 HA2 0.05 0.01 0.45 -0.51 4.01 4.00 2k7zA20 GLY 350 HA3 0.04 0.00 0.23 -0.51 4.01 3.77 2k7zA20 LYS 351 H 0.07 0.54 -0.48 -0.55 8.42 8.00 2k7zA20 LYS 351 HA 0.06 0.08 0.89 -0.75 4.32 4.59 2k7zA20 LYS 351 HB2 0.03 -0.08 -0.03 -0.04 1.87 1.75 2k7zA20 LYS 351 HB3 0.04 0.06 0.04 -0.04 1.79 1.89 2k7zA20 LYS 351 HG2 -0.00 0.08 -0.21 -0.04 1.46 1.29 2k7zA20 LYS 351 HG3 0.05 0.09 0.02 -0.04 1.46 1.58 2k7zA20 LYS 351 HD2 0.02 -0.19 -0.13 -0.04 1.69 1.34 2k7zA20 LYS 351 HD3 0.04 0.01 0.08 -0.04 1.68 1.77 2k7zA20 LYS 351 HE2 0.02 -0.07 -0.28 -0.04 2.99 2.62 2k7zA20 LYS 351 HE3 0.01 0.02 -0.41 -0.04 2.99 2.57 2k7zA20 PRO 352 HA 0.18 0.25 0.56 -0.51 4.44 4.92 2k7zA20 PRO 352 HB2 0.14 -0.04 -0.03 -0.04 2.28 2.30 2k7zA20 PRO 352 HB3 0.12 -0.08 0.05 -0.04 2.02 2.07 2k7zA20 PRO 352 HG2 0.11 0.13 -0.02 -0.04 2.03 2.21 2k7zA20 PRO 352 HG3 0.09 -0.07 -0.03 -0.04 2.03 1.98 2k7zA20 PRO 352 HD2 0.07 0.12 0.23 -0.04 3.68 4.06 2k7zA20 PRO 352 HD3 0.08 0.09 0.14 -0.04 3.65 3.92 2k7zA20 LYS 353 H 0.28 0.17 0.31 -0.55 8.42 8.63 2k7zA20 LYS 353 HA 0.18 0.27 0.67 -0.75 4.32 4.69 2k7zA20 LYS 353 HB2 0.43 -0.07 0.06 -0.04 1.87 2.25 2k7zA20 LYS 353 HB3 0.32 -0.05 0.04 -0.04 1.79 2.06 2k7zA20 LYS 353 HG2 0.03 -0.11 -0.02 -0.04 1.46 1.32 2k7zA20 LYS 353 HG3 0.20 0.19 0.11 -0.04 1.46 1.92 2k7zA20 LYS 353 HD2 0.10 0.36 -0.35 -0.04 1.69 1.76 2k7zA20 LYS 353 HD3 0.04 -0.12 -0.11 -0.04 1.68 1.46 2k7zA20 LYS 353 HE2 -0.09 0.00 -0.07 -0.04 2.99 2.79 2k7zA20 LYS 353 HE3 -0.67 -0.13 -0.05 -0.04 2.99 2.11 2k7zA20 VAL 354 H 0.06 0.48 0.34 -0.55 8.24 8.57 2k7zA20 VAL 354 HA -0.18 0.21 0.82 -0.75 4.13 4.23 2k7zA20 VAL 354 HB -0.07 -0.00 -0.06 -0.04 2.12 1.94 2k7zA20 VAL 354 HG13 -0.04 0.00 -0.05 -0.04 0.97 0.84 2k7zA20 VAL 354 HG23 -0.50 -0.02 -0.17 -0.04 0.95 0.22 2k7zA20 PHE 355 H -0.18 0.33 0.21 -0.55 8.34 8.14 2k7zA20 PHE 355 HA -0.42 0.16 0.71 -0.75 4.62 4.33 2k7zA20 PHE 355 HB2 -0.07 0.16 0.14 -0.04 3.15 3.33 2k7zA20 PHE 355 HB3 -0.02 0.00 -0.10 -0.04 3.06 2.91 2k7zA20 PHE 355 HD2 -0.16 0.08 0.00 -0.04 7.28 7.17 2k7zA20 PHE 355 HE2 -0.05 0.04 0.03 -0.04 7.38 7.36 2k7zA20 PHE 355 HZ 0.08 0.01 0.01 -0.04 7.32 7.39 2k7zA20 PHE 356 H -0.24 0.39 0.18 -0.55 8.34 8.12 2k7zA20 PHE 356 HA -0.27 0.09 0.89 -0.75 4.62 4.57 2k7zA20 PHE 356 HB2 -0.07 -0.04 0.20 -0.04 3.15 3.20 2k7zA20 PHE 356 HB3 -0.10 0.06 0.07 -0.04 3.06 3.05 2k7zA20 PHE 356 HD2 -0.11 0.03 -0.04 -0.04 7.28 7.11 2k7zA20 PHE 356 HE2 -0.09 0.02 -0.13 -0.04 7.38 7.14 2k7zA20 PHE 356 HZ -0.22 0.02 -0.14 -0.04 7.32 6.94 2k7zA20 ILE 357 H -0.27 0.13 0.01 -0.55 8.25 7.57 2k7zA20 ILE 357 HA 0.04 0.12 0.67 -0.75 4.18 4.26 2k7zA20 ILE 357 HB -0.22 -0.04 0.03 -0.04 1.89 1.62 2k7zA20 ILE 357 HG12 0.24 0.00 0.00 -0.04 1.49 1.69 2k7zA20 ILE 357 HG13 0.14 0.01 -0.00 -0.04 1.21 1.32 2k7zA20 ILE 357 HG23 -0.00 0.01 -0.18 -0.04 0.93 0.71 2k7zA20 ILE 357 HD13 0.09 0.04 0.03 -0.04 0.88 0.99 2k7zA20 GLN 358 H 0.04 0.24 0.15 -0.55 8.47 8.35 2k7zA20 GLN 358 HA 0.03 0.05 0.89 -0.75 4.36 4.58 2k7zA20 GLN 358 HB2 0.05 0.10 0.06 -0.04 2.15 2.32 2k7zA20 GLN 358 HB3 0.04 0.11 0.13 -0.04 2.02 2.26 2k7zA20 GLN 358 HG2 0.06 0.00 0.01 -0.04 2.40 2.43 2k7zA20 GLN 358 HG3 0.05 -0.04 -0.24 -0.04 2.39 2.13 2k7zA20 GLN 358 HE21 0.03 0.03 -0.03 -0.04 6.97 6.96 2k7zA20 GLN 358 HE22 0.02 -0.06 -0.07 -0.04 7.69 7.54 2k7zA20 ALA 359 H 0.04 0.17 0.15 -0.55 8.40 8.21 2k7zA20 ALA 359 HA -0.04 0.14 0.75 -0.75 4.34 4.43 2k7zA20 ALA 359 HB3 0.03 0.01 -0.04 -0.04 1.41 1.37 2k7zA20 ALA 360 H 0.07 0.27 0.12 -0.55 8.40 8.32 2k7zA20 ALA 360 HA -0.03 0.09 0.90 -0.75 4.34 4.54 2k7zA20 ALA 360 HB3 0.02 0.01 0.04 -0.04 1.41 1.44 2k7zA20 GLN 361 H -0.12 0.33 0.21 -0.55 8.47 8.34 2k7zA20 GLN 361 HA -0.05 0.11 0.44 -0.75 4.36 4.11 2k7zA20 GLN 361 HB2 0.04 0.02 -0.23 -0.04 2.15 1.93 2k7zA20 GLN 361 HB3 0.03 0.05 -0.07 -0.04 2.02 1.99 2k7zA20 GLN 361 HG2 -0.03 -0.08 -0.03 -0.04 2.40 2.22 2k7zA20 GLN 361 HG3 -0.01 0.07 0.11 -0.04 2.39 2.51 2k7zA20 GLN 361 HE21 0.05 0.04 0.06 -0.04 6.97 7.08 2k7zA20 GLN 361 HE22 0.03 -0.00 0.03 -0.04 7.69 7.70 2k7zA20 GLY 362 H -0.06 0.17 -0.05 -0.55 8.43 7.94 2k7zA20 GLY 362 HA2 0.03 0.09 0.34 -0.51 4.01 3.96 2k7zA20 GLY 362 HA3 -0.06 0.08 0.46 -0.51 4.01 3.97 2k7zA20 ASP 363 H -0.06 0.14 0.07 -0.55 8.40 8.00 2k7zA20 ASP 363 HA -0.04 0.15 0.64 -0.75 4.63 4.62 2k7zA20 ASP 363 HB2 -0.04 -0.01 0.20 -0.04 2.71 2.82 2k7zA20 ASP 363 HB3 -0.00 0.05 0.07 -0.04 2.70 2.78 2k7zA20 ASN 364 H -0.29 0.31 0.07 -0.55 8.53 8.07 2k7zA20 ASN 364 HA -0.10 0.10 0.66 -0.75 4.76 4.67 2k7zA20 ASN 364 HB2 -0.11 -0.02 -0.18 -0.04 2.88 2.53 2k7zA20 ASN 364 HB3 -0.21 0.01 0.09 -0.04 2.79 2.64 2k7zA20 ASN 364 HD21 -0.12 -0.02 -0.06 -0.04 7.03 6.79 2k7zA20 ASN 364 HD22 -0.06 0.02 -0.08 -0.04 7.74 7.59 2k7zA20 TYR 365 H 0.02 0.25 0.12 -0.55 8.29 8.13 2k7zA20 TYR 365 HA -0.00 0.14 0.64 -0.75 4.56 4.58 2k7zA20 TYR 365 HB2 -0.01 0.00 -0.06 -0.04 3.06 2.96 2k7zA20 TYR 365 HB3 -0.00 0.03 0.10 -0.04 2.98 3.06 2k7zA20 TYR 365 HD2 -0.00 -0.05 0.04 -0.04 7.15 7.09 2k7zA20 TYR 365 HE2 0.00 -0.01 0.03 -0.04 6.85 6.83 2k7zA20 GLN 366 H 0.19 0.14 0.14 -0.55 8.47 8.40 2k7zA20 GLN 366 HA 0.05 0.04 0.53 -0.75 4.36 4.23 2k7zA20 GLN 366 HB2 0.04 0.04 0.05 -0.04 2.15 2.24 2k7zA20 GLN 366 HB3 0.03 0.01 0.07 -0.04 2.02 2.09 2k7zA20 GLN 366 HG2 0.09 -0.01 0.10 -0.04 2.40 2.55 2k7zA20 GLN 366 HG3 0.04 0.03 0.04 -0.04 2.39 2.46 2k7zA20 GLN 366 HE21 0.09 -0.08 -0.11 -0.04 6.97 6.82 2k7zA20 GLN 366 HE22 0.03 0.07 -0.09 -0.04 7.69 7.66 2k7zA20 LYS 367 H 0.03 0.11 0.18 -0.55 8.42 8.18 2k7zA20 LYS 367 HA 0.02 0.04 0.29 -0.75 4.32 3.91 2k7zA20 LYS 367 HB2 0.01 0.12 -0.10 -0.04 1.87 1.86 2k7zA20 LYS 367 HB3 0.01 0.02 0.15 -0.04 1.79 1.93 2k7zA20 LYS 367 HG2 0.01 0.03 0.04 -0.04 1.46 1.49 2k7zA20 LYS 367 HG3 0.01 -0.08 -0.04 -0.04 1.46 1.31 2k7zA20 LYS 367 HD2 0.00 0.02 -0.05 -0.04 1.69 1.62 2k7zA20 LYS 367 HD3 0.00 0.02 -0.01 -0.04 1.68 1.65 2k7zA20 LYS 367 HE2 0.00 0.01 -0.01 -0.04 2.99 2.94 2k7zA20 LYS 367 HE3 0.01 0.00 -0.01 -0.04 2.99 2.95 2k7zA20 GLY 368 H 0.03 0.10 -0.20 -0.55 8.43 7.81 2k7zA20 GLY 368 HA2 0.04 0.05 0.26 -0.51 4.01 3.85 2k7zA20 GLY 368 HA3 0.02 -0.01 0.28 -0.51 4.01 3.79 2k7zA20 ILE 369 H 0.00 0.18 -0.01 -0.55 8.25 7.87 2k7zA20 ILE 369 HA -0.00 0.19 0.56 -0.75 4.18 4.17 2k7zA20 ILE 369 HB -0.01 -0.16 0.03 -0.04 1.89 1.71 2k7zA20 ILE 369 HG12 -0.01 -0.02 -0.40 -0.04 1.49 1.02 2k7zA20 ILE 369 HG13 -0.02 0.00 -0.06 -0.04 1.21 1.09 2k7zA20 ILE 369 HG23 -0.01 0.04 0.09 -0.04 0.93 1.01 2k7zA20 ILE 369 HD13 -0.04 0.01 -0.04 -0.04 0.88 0.76 2k7zA20 PRO 370 HA 0.00 0.10 0.46 -0.51 4.44 4.50 2k7zA20 PRO 370 HB2 -0.00 0.02 0.02 -0.04 2.28 2.28 2k7zA20 PRO 370 HB3 0.00 0.02 0.09 -0.04 2.02 2.09 2k7zA20 PRO 370 HG2 -0.01 0.02 -0.01 -0.04 2.03 2.00 2k7zA20 PRO 370 HG3 -0.00 0.05 0.05 -0.04 2.03 2.09 2k7zA20 PRO 370 HD2 -0.01 0.09 0.22 -0.04 3.68 3.95 2k7zA20 PRO 370 HD3 -0.00 0.17 0.15 -0.04 3.65 3.93 2k7zA20 VAL 371 H -0.01 -0.01 -0.37 -0.55 8.24 7.30 2k7zA20 VAL 371 HA -0.01 0.03 0.46 -0.75 4.13 3.87 2k7zA20 VAL 371 HB -0.03 0.03 0.04 -0.04 2.12 2.12 2k7zA20 VAL 371 HG13 -0.03 0.00 0.02 -0.04 0.97 0.92 2k7zA20 VAL 371 HG23 -0.03 -0.01 -0.14 -0.04 0.95 0.73 2k7zA20 GLU 372 H -0.00 0.21 0.18 -0.55 8.60 8.44 2k7zA20 GLU 372 HA 0.01 0.12 0.51 -0.75 4.29 4.18 2k7zA20 GLU 372 HB2 0.07 -0.10 0.16 -0.04 2.09 2.19 2k7zA20 GLU 372 HB3 0.03 0.19 -0.22 -0.04 1.99 1.95 2k7zA20 GLU 372 HG2 0.02 -0.02 -0.09 -0.04 2.34 2.21 2k7zA20 GLU 372 HG3 0.04 0.09 -0.22 -0.04 2.34 2.21 2k7zA20 THR 373 H 0.06 0.19 0.13 -0.55 8.28 8.12 2k7zA20 THR 373 HA 0.02 -0.04 0.55 -0.75 4.39 4.16 2k7zA20 THR 373 HB 0.08 0.04 0.09 -0.04 4.32 4.49 2k7zA20 THR 373 HG23 0.01 -0.05 0.11 -0.04 1.22 1.26 2k7zA20 ASP 374 H 0.01 0.19 0.33 -0.55 8.40 8.37 2k7zA20 ASP 374 HA 0.01 0.22 0.73 -0.75 4.63 4.84 2k7zA20 ASP 374 HB2 -0.00 0.08 0.08 -0.04 2.71 2.82 2k7zA20 ASP 374 HB3 -0.00 -0.03 0.10 -0.04 2.70 2.73 2k7zA20 SER 375 H 0.01 -0.02 0.12 -0.55 8.46 8.03 2k7zA20 SER 375 HA 0.01 0.20 0.69 -0.75 4.49 4.64 2k7zA20 SER 375 HB2 0.01 -0.07 0.05 -0.04 3.95 3.90 2k7zA20 SER 375 HB3 0.02 0.02 0.06 -0.04 3.93 3.99 2k7zA20 GLU 376 H 0.03 0.03 -0.24 -0.55 8.60 7.87 2k7zA20 GLU 376 HA 0.03 0.07 0.77 -0.75 4.29 4.40 2k7zA20 GLU 376 HB2 0.04 -0.16 0.12 -0.04 2.09 2.04 2k7zA20 GLU 376 HB3 0.09 0.11 0.02 -0.04 1.99 2.17 2k7zA20 GLU 376 HG2 0.03 -0.16 0.08 -0.04 2.34 2.25 2k7zA20 GLU 376 HG3 0.06 0.26 0.00 -0.04 2.34 2.61 2k7zA20 GLU 377 H 0.03 0.06 0.01 -0.55 8.60 8.16 2k7zA20 GLU 377 HA 0.02 0.14 0.37 -0.75 4.29 4.07 2k7zA20 GLU 377 HB2 0.02 0.02 0.10 -0.04 2.09 2.19 2k7zA20 GLU 377 HB3 0.03 0.02 0.03 -0.04 1.99 2.02 2k7zA20 GLU 377 HG2 0.01 0.03 0.10 -0.04 2.34 2.44 2k7zA20 GLU 377 HG3 0.01 0.04 0.04 -0.04 2.34 2.39 2k7zA20 GLN 378 H 0.01 0.07 0.06 -0.55 8.47 8.07 2k7zA20 GLN 378 HA -0.01 0.05 0.38 -0.75 4.36 4.03 2k7zA20 GLN 378 HB2 0.01 -0.04 0.15 -0.04 2.15 2.22 2k7zA20 GLN 378 HB3 0.00 0.02 -0.01 -0.04 2.02 2.00 2k7zA20 GLN 378 HG2 -0.01 -0.01 0.07 -0.04 2.40 2.41 2k7zA20 GLN 378 HG3 -0.01 -0.00 0.04 -0.04 2.39 2.38 2k7zA20 GLN 378 HE21 -0.02 -0.00 0.02 -0.04 6.97 6.92 2k7zA20 GLN 378 HE22 -0.04 0.00 0.02 -0.04 7.69 7.64 2k7zA20 PRO 379 HA 0.13 0.10 0.58 -0.51 4.44 4.73 2k7zA20 PRO 379 HB2 0.06 0.04 0.12 -0.04 2.28 2.46 2k7zA20 PRO 379 HB3 0.05 0.00 0.08 -0.04 2.02 2.12 2k7zA20 PRO 379 HG2 0.04 -0.01 0.03 -0.04 2.03 2.05 2k7zA20 PRO 379 HG3 0.03 0.02 0.04 -0.04 2.03 2.08 2k7zA20 PRO 379 HD2 0.03 -0.07 -0.13 -0.04 3.68 3.48 2k7zA20 PRO 379 HD3 0.03 0.10 0.06 -0.04 3.65 3.80 2k7zA20 TYR 380 H 0.25 0.50 0.09 -0.55 8.29 8.57 2k7zA20 TYR 380 HA -0.00 -0.02 0.45 -0.75 4.56 4.24 2k7zA20 TYR 380 HB2 -0.01 -0.15 0.19 -0.04 3.06 3.05 2k7zA20 TYR 380 HB3 -0.00 0.16 0.13 -0.04 2.98 3.22 2k7zA20 TYR 380 HD2 -0.00 -0.09 0.04 -0.04 7.15 7.05 2k7zA20 TYR 380 HE2 -0.00 -0.04 -0.02 -0.04 6.85 6.74 2k7zA20 LEU 381 H -0.09 0.06 0.17 -0.55 8.37 7.97 2k7zA20 LEU 381 HA -0.20 0.20 0.81 -0.75 4.35 4.40 2k7zA20 LEU 381 HB2 -0.10 -0.01 0.17 -0.04 1.64 1.65 2k7zA20 LEU 381 HB3 -0.06 0.01 0.04 -0.04 1.64 1.59 2k7zA20 LEU 381 HG -0.10 -0.05 -0.01 -0.04 1.64 1.44 2k7zA20 LEU 381 HD13 -0.09 0.02 -0.15 -0.04 0.93 0.67 2k7zA20 LEU 381 HD23 -0.03 -0.02 0.02 -0.04 0.89 0.82 2k7zA20 GLU 382 H -0.18 0.16 0.19 -0.55 8.60 8.23 2k7zA20 GLU 382 HA -0.26 0.21 0.84 -0.75 4.29 4.32 2k7zA20 GLU 382 HB2 -0.11 -0.06 0.09 -0.04 2.09 1.97 2k7zA20 GLU 382 HB3 -0.22 0.10 -0.03 -0.04 1.99 1.81 2k7zA20 GLU 382 HG2 -0.08 0.06 -0.01 -0.04 2.34 2.27 2k7zA20 GLU 382 HG3 -0.14 0.01 0.04 -0.04 2.34 2.21 2k7zA20 MET 383 H -0.08 0.17 0.10 -0.55 8.47 8.10 2k7zA20 MET 383 HA -0.06 0.20 0.79 -0.75 4.52 4.70 2k7zA20 MET 383 HB2 -0.04 0.04 0.19 -0.04 2.15 2.30 2k7zA20 MET 383 HB3 -0.05 0.02 0.02 -0.04 2.03 1.97 2k7zA20 MET 383 HG2 -0.04 -0.01 0.07 -0.04 2.63 2.60 2k7zA20 MET 383 HG3 -0.03 0.00 -0.02 -0.04 2.56 2.47 2k7zA20 MET 383 HE3 -0.00 0.01 0.05 -0.04 2.10 2.12 2k7zA20 ASP 384 H -0.06 0.05 -0.31 -0.55 8.40 7.53 2k7zA20 ASP 384 HA -0.02 0.17 0.67 -0.75 4.63 4.69 2k7zA20 ASP 384 HB2 -0.04 -0.08 0.06 -0.04 2.71 2.61 2k7zA20 ASP 384 HB3 -0.04 0.11 0.03 -0.04 2.70 2.76 2k7zA20 LEU 385 H -0.02 0.17 0.12 -0.55 8.37 8.09 2k7zA20 LEU 385 HA -0.03 0.19 0.75 -0.75 4.35 4.51 2k7zA20 LEU 385 HB2 -0.01 0.03 -0.11 -0.04 1.64 1.51 2k7zA20 LEU 385 HB3 -0.01 -0.07 -0.01 -0.04 1.64 1.51 2k7zA20 LEU 385 HG -0.01 -0.04 -0.13 -0.04 1.64 1.42 2k7zA20 LEU 385 HD13 -0.00 0.01 -0.07 -0.04 0.93 0.83 2k7zA20 LEU 385 HD23 -0.02 0.03 -0.31 -0.04 0.89 0.55 2k7zA20 SER 386 H -0.03 0.27 0.07 -0.55 8.46 8.22 2k7zA20 SER 386 HA -0.03 0.14 0.77 -0.75 4.49 4.61 2k7zA20 SER 386 HB2 -0.04 0.03 0.19 -0.04 3.95 4.09 2k7zA20 SER 386 HB3 -0.04 -0.02 0.00 -0.04 3.93 3.84 2k7zA20 SER 387 H -0.02 0.06 -0.01 -0.55 8.46 7.95 2k7zA20 SER 387 HA -0.01 0.05 0.36 -0.75 4.49 4.14 2k7zA20 SER 387 HB2 -0.02 -0.01 -0.28 -0.04 3.95 3.61 2k7zA20 SER 387 HB3 -0.02 -0.02 -0.03 -0.04 3.93 3.83 2k7zA20 PRO 388 HA -0.00 0.11 0.47 -0.51 4.44 4.50 2k7zA20 PRO 388 HB2 -0.02 0.07 0.17 -0.04 2.28 2.46 2k7zA20 PRO 388 HB3 -0.04 0.07 0.12 -0.04 2.02 2.13 2k7zA20 PRO 388 HG2 -0.02 -0.04 0.18 -0.04 2.03 2.11 2k7zA20 PRO 388 HG3 -0.04 0.08 0.08 -0.04 2.03 2.11 2k7zA20 PRO 388 HD2 -0.02 0.00 0.14 -0.04 3.68 3.75 2k7zA20 PRO 388 HD3 -0.03 0.18 0.10 -0.04 3.65 3.86 2k7zA20 GLN 389 H 0.01 0.45 0.36 -0.55 8.47 8.74 2k7zA20 GLN 389 HA 0.02 0.09 0.65 -0.75 4.36 4.38 2k7zA20 GLN 389 HB2 0.02 0.02 0.10 -0.04 2.15 2.24 2k7zA20 GLN 389 HB3 0.01 -0.08 -0.08 -0.04 2.02 1.83 2k7zA20 GLN 389 HG2 0.01 -0.01 0.01 -0.04 2.40 2.37 2k7zA20 GLN 389 HG3 0.01 0.04 0.08 -0.04 2.39 2.48 2k7zA20 GLN 389 HE21 0.02 -0.01 -0.22 -0.04 6.97 6.72 2k7zA20 GLN 389 HE22 0.02 -0.01 -0.10 -0.04 7.69 7.57 2k7zA20 THR 390 H 0.03 -0.01 -0.15 -0.55 8.28 7.60 2k7zA20 THR 390 HA 0.05 0.10 0.56 -0.75 4.39 4.35 2k7zA20 THR 390 HB 0.04 -0.04 0.10 -0.04 4.32 4.37 2k7zA20 THR 390 HG23 0.06 0.07 -0.04 -0.04 1.22 1.26 2k7zA20 ARG 391 H 0.07 0.05 0.11 -0.55 8.46 8.13 2k7zA20 ARG 391 HA 0.11 0.11 0.50 -0.75 4.34 4.30 2k7zA20 ARG 391 HB2 0.08 0.05 0.07 -0.04 1.90 2.06 2k7zA20 ARG 391 HB3 0.06 -0.01 0.09 -0.04 1.80 1.90 2k7zA20 ARG 391 HG2 0.09 0.00 -0.43 -0.04 1.67 1.29 2k7zA20 ARG 391 HG3 0.06 0.06 -0.10 -0.04 1.67 1.65 2k7zA20 ARG 391 HD2 0.09 -0.09 -0.07 -0.04 3.22 3.11 2k7zA20 ARG 391 HD3 0.07 0.02 -0.10 -0.04 3.22 3.17 2k7zA20 TYR 392 H 0.17 0.26 0.11 -0.55 8.29 8.27 2k7zA20 TYR 392 HA 0.12 0.11 0.70 -0.75 4.56 4.74 2k7zA20 TYR 392 HB2 0.17 0.08 -0.18 -0.04 3.06 3.10 2k7zA20 TYR 392 HB3 0.11 -0.02 0.00 -0.04 2.98 3.03 2k7zA20 TYR 392 HD2 0.14 0.00 -0.03 -0.04 7.15 7.23 2k7zA20 TYR 392 HE2 0.01 0.03 -0.13 -0.04 6.85 6.72 2k7zA20 ILE 393 H 0.11 0.28 0.09 -0.55 8.25 8.17 2k7zA20 ILE 393 HA -0.26 0.18 0.66 -0.75 4.18 4.00 2k7zA20 ILE 393 HB -0.03 0.11 -0.11 -0.04 1.89 1.82 2k7zA20 ILE 393 HG12 -0.02 -0.24 -0.11 -0.04 1.49 1.07 2k7zA20 ILE 393 HG13 -0.05 0.06 0.10 -0.04 1.21 1.29 2k7zA20 ILE 393 HG23 0.04 0.00 -0.07 -0.04 0.93 0.86 2k7zA20 ILE 393 HD13 -0.02 0.02 -0.02 -0.04 0.88 0.82 2k7zA20 PRO 394 HA 0.04 0.13 0.51 -0.51 4.44 4.62 2k7zA20 PRO 394 HB2 0.12 0.01 -0.05 -0.04 2.28 2.32 2k7zA20 PRO 394 HB3 0.06 0.04 0.04 -0.04 2.02 2.13 2k7zA20 PRO 394 HG2 0.13 -0.02 0.08 -0.04 2.03 2.18 2k7zA20 PRO 394 HG3 0.31 0.08 0.00 -0.04 2.03 2.37 2k7zA20 PRO 394 HD2 -0.09 0.15 0.23 -0.04 3.68 3.93 2k7zA20 PRO 394 HD3 -0.31 0.14 0.05 -0.04 3.65 3.50 2k7zA20 ASP 395 H 0.01 0.09 -0.10 -0.55 8.40 7.86 2k7zA20 ASP 395 HA 0.01 0.05 0.25 -0.75 4.63 4.18 2k7zA20 ASP 395 HB2 0.02 -0.02 -0.19 -0.04 2.71 2.48 2k7zA20 ASP 395 HB3 0.03 0.14 0.04 -0.04 2.70 2.87 2k7zA20 GLU 396 H 0.08 0.06 -0.08 -0.55 8.60 8.11 2k7zA20 GLU 396 HA 0.05 0.18 0.77 -0.75 4.29 4.54 2k7zA20 GLU 396 HB2 0.19 -0.00 0.00 -0.04 2.09 2.23 2k7zA20 GLU 396 HB3 0.14 -0.17 -0.02 -0.04 1.99 1.90 2k7zA20 GLU 396 HG2 0.03 0.16 -0.24 -0.04 2.34 2.25 2k7zA20 GLU 396 HG3 0.01 0.01 -0.07 -0.04 2.34 2.25 2k7zA20 ALA 397 H 0.05 0.16 0.10 -0.55 8.40 8.17 2k7zA20 ALA 397 HA 0.04 0.20 0.62 -0.75 4.34 4.45 2k7zA20 ALA 397 HB3 0.03 0.02 0.01 -0.04 1.41 1.43 2k7zA20 ASP 398 H 0.12 0.02 -0.15 -0.55 8.40 7.85 2k7zA20 ASP 398 HA 0.12 -0.10 0.75 -0.75 4.63 4.64 2k7zA20 ASP 398 HB2 0.08 -0.04 -0.16 -0.04 2.71 2.55 2k7zA20 ASP 398 HB3 0.12 0.06 0.11 -0.04 2.70 2.94 2k7zA20 PHE 399 H 0.20 0.61 0.14 -0.55 8.34 8.73 2k7zA20 PHE 399 HA 0.11 0.15 0.94 -0.75 4.62 5.07 2k7zA20 PHE 399 HB2 0.12 0.01 -0.17 -0.04 3.15 3.07 2k7zA20 PHE 399 HB3 0.08 -0.08 0.01 -0.04 3.06 3.03 2k7zA20 PHE 399 HD2 0.10 -0.03 0.04 -0.04 7.28 7.35 2k7zA20 PHE 399 HE2 -0.02 -0.06 -0.13 -0.04 7.38 7.12 2k7zA20 PHE 399 HZ -0.64 -0.06 -0.06 -0.04 7.32 6.52 2k7zA20 LEU 400 H -0.39 0.66 0.37 -0.55 8.37 8.46 2k7zA20 LEU 400 HA -0.11 0.07 1.01 -0.75 4.35 4.56 2k7zA20 LEU 400 HB2 -0.03 -0.04 0.01 -0.04 1.64 1.55 2k7zA20 LEU 400 HB3 -0.17 0.01 0.26 -0.04 1.64 1.69 2k7zA20 LEU 400 HG -0.00 -0.06 -0.10 -0.04 1.64 1.43 2k7zA20 LEU 400 HD13 -0.14 -0.01 -0.36 -0.04 0.93 0.39 2k7zA20 LEU 400 HD23 0.07 0.03 0.08 -0.04 0.89 1.02 2k7zA20 LEU 401 H -0.11 0.58 0.43 -0.55 8.37 8.72 2k7zA20 LEU 401 HA -0.29 0.08 1.00 -0.75 4.35 4.39 2k7zA20 LEU 401 HB2 0.03 -0.02 0.02 -0.04 1.64 1.63 2k7zA20 LEU 401 HB3 -0.05 0.22 0.31 -0.04 1.64 2.07 2k7zA20 LEU 401 HG -0.08 -0.07 -0.06 -0.04 1.64 1.38 2k7zA20 LEU 401 HD13 -0.03 -0.01 0.11 -0.04 0.93 0.96 2k7zA20 LEU 401 HD23 -0.06 0.03 0.10 -0.04 0.89 0.92 2k7zA20 GLY 402 H -0.54 0.27 0.25 -0.55 8.43 7.86 2k7zA20 GLY 402 HA2 -0.07 0.19 0.80 -0.51 4.01 4.43 2k7zA20 GLY 402 HA3 -0.08 0.00 0.41 -0.51 4.01 3.83 2k7zA20 MET 403 H -0.16 0.10 -0.05 -0.55 8.47 7.81 2k7zA20 MET 403 HA -0.07 0.00 0.61 -0.75 4.52 4.31 2k7zA20 MET 403 HB2 -0.05 -0.05 0.11 -0.04 2.15 2.11 2k7zA20 MET 403 HB3 -0.03 0.08 0.10 -0.04 2.03 2.14 2k7zA20 MET 403 HG2 0.04 0.06 -0.23 -0.04 2.63 2.46 2k7zA20 MET 403 HG3 0.04 -0.07 0.01 -0.04 2.56 2.50 2k7zA20 MET 403 HE3 0.23 -0.02 -0.01 -0.04 2.10 2.26 2k7zA20 ALA 404 H 0.02 0.09 0.04 -0.55 8.40 8.00 2k7zA20 ALA 404 HA 0.03 0.26 0.51 -0.75 4.34 4.38 2k7zA20 ALA 404 HB3 0.06 0.01 0.02 -0.04 1.41 1.46 2k7zA20 PRO 415 HA -0.02 -0.08 0.22 -0.51 4.44 4.05 2k7zA20 PRO 415 HB2 -0.03 -0.01 0.07 -0.04 2.28 2.27 2k7zA20 PRO 415 HB3 -0.02 0.01 0.06 -0.04 2.02 2.03 2k7zA20 PRO 415 HG2 -0.01 0.02 0.11 -0.04 2.03 2.10 2k7zA20 PRO 415 HG3 -0.01 0.01 0.05 -0.04 2.03 2.05 2k7zA20 PRO 415 HD2 -0.01 0.01 0.02 -0.04 3.68 3.67 2k7zA20 PRO 415 HD3 -0.01 0.00 0.04 -0.04 3.65 3.65 2k7zA20 ALA 416 H -0.02 0.17 0.08 -0.55 8.40 8.08 2k7zA20 ALA 416 HA -0.04 0.22 0.78 -0.75 4.34 4.55 2k7zA20 ALA 416 HB3 -0.02 0.02 0.12 -0.04 1.41 1.49 2k7zA20 GLU 417 H -0.06 0.10 -0.32 -0.55 8.60 7.77 2k7zA20 GLU 417 HA -0.07 0.18 0.60 -0.75 4.29 4.25 2k7zA20 GLU 417 HB2 -0.06 0.01 0.03 -0.04 2.09 2.03 2k7zA20 GLU 417 HB3 -0.06 0.03 0.15 -0.04 1.99 2.07 2k7zA20 GLU 417 HG2 -0.03 0.07 -0.07 -0.04 2.34 2.27 2k7zA20 GLU 417 HG3 -0.03 -0.14 -0.07 -0.04 2.34 2.06 2k7zA20 GLY 418 H -0.14 0.15 -0.49 -0.55 8.43 7.41 2k7zA20 GLY 418 HA2 -0.41 0.13 0.62 -0.51 4.01 3.84 2k7zA20 GLY 418 HA3 -0.25 0.04 0.29 -0.51 4.01 3.58 2k7zA20 THR 419 H -0.51 0.32 -0.01 -0.55 8.28 7.53 2k7zA20 THR 419 HA -0.47 0.14 0.74 -0.75 4.39 4.05 2k7zA20 THR 419 HB -0.38 -0.01 -0.09 -0.04 4.32 3.80 2k7zA20 THR 419 HG23 -0.27 0.04 0.08 -0.04 1.22 1.02 2k7zA20 TRP 420 H -0.31 0.17 0.17 -0.55 7.97 7.46 2k7zA20 TRP 420 HA -0.27 0.16 0.84 -0.75 4.62 4.60 2k7zA20 TRP 420 HB2 -0.14 -0.02 0.01 -0.04 3.23 3.05 2k7zA20 TRP 420 HB3 -0.11 -0.01 0.07 -0.04 3.23 3.15 2k7zA20 TRP 420 HD1 -0.08 -0.05 -0.00 -0.04 7.22 7.05 2k7zA20 TRP 420 HE1 -0.04 -0.03 -0.05 -0.04 10.20 10.04 2k7zA20 TRP 420 HE3 -0.05 -0.10 0.06 -0.04 7.59 7.45 2k7zA20 TRP 420 HZ2 -0.03 -0.04 -0.03 -0.04 7.44 7.30 2k7zA20 TRP 420 HZ3 -0.02 -0.05 0.01 -0.04 7.13 7.03 2k7zA20 TRP 420 HH2 -0.02 -0.04 -0.01 -0.04 7.19 7.08 2k7zA20 TYR 421 H 0.23 0.25 0.20 -0.55 8.29 8.42 2k7zA20 TYR 421 HA 0.09 0.21 0.81 -0.75 4.56 4.92 2k7zA20 TYR 421 HB2 0.08 -0.07 0.04 -0.04 3.06 3.06 2k7zA20 TYR 421 HB3 0.05 -0.04 0.21 -0.04 2.98 3.16 2k7zA20 TYR 421 HD2 0.04 -0.04 0.03 -0.04 7.15 7.15 2k7zA20 TYR 421 HE2 -0.01 0.00 -0.02 -0.04 6.85 6.78 2k7zA20 ILE 422 H 0.19 0.33 0.26 -0.55 8.25 8.49 2k7zA20 ILE 422 HA 0.04 0.14 0.42 -0.75 4.18 4.03 2k7zA20 ILE 422 HB 0.06 0.02 0.25 -0.04 1.89 2.19 2k7zA20 ILE 422 HG12 0.08 0.02 0.20 -0.04 1.49 1.76 2k7zA20 ILE 422 HG13 0.04 -0.01 0.11 -0.04 1.21 1.31 2k7zA20 ILE 422 HG23 0.01 0.06 0.15 -0.04 0.93 1.11 2k7zA20 ILE 422 HD13 0.02 -0.01 0.05 -0.04 0.88 0.90 2k7zA20 GLN 423 H 0.13 0.13 -0.18 -0.55 8.47 8.00 2k7zA20 GLN 423 HA 0.03 0.07 0.34 -0.75 4.36 4.06 2k7zA20 GLN 423 HB2 0.11 0.03 0.06 -0.04 2.15 2.30 2k7zA20 GLN 423 HB3 0.04 0.06 0.05 -0.04 2.02 2.14 2k7zA20 GLN 423 HG2 0.06 -0.05 0.10 -0.04 2.40 2.47 2k7zA20 GLN 423 HG3 -0.00 0.07 0.04 -0.04 2.39 2.45 2k7zA20 GLN 423 HE21 0.00 0.04 0.00 -0.04 6.97 6.98 2k7zA20 GLN 423 HE22 0.02 0.00 -0.02 -0.04 7.69 7.65 2k7zA20 SER 424 H 0.12 0.24 -0.28 -0.55 8.46 7.99 2k7zA20 SER 424 HA 0.02 0.11 0.55 -0.75 4.49 4.41 2k7zA20 SER 424 HB2 0.13 -0.02 0.05 -0.04 3.95 4.06 2k7zA20 SER 424 HB3 0.15 0.05 0.11 -0.04 3.93 4.20 2k7zA20 LEU 425 H -0.01 0.41 -0.46 -0.55 8.37 7.76 2k7zA20 LEU 425 HA -0.11 0.19 0.85 -0.75 4.35 4.51 2k7zA20 LEU 425 HB2 -0.04 0.07 -0.03 -0.04 1.64 1.60 2k7zA20 LEU 425 HB3 -0.04 -0.01 0.27 -0.04 1.64 1.82 2k7zA20 LEU 425 HG -0.05 0.06 0.00 -0.04 1.64 1.61 2k7zA20 LEU 425 HD13 -0.11 -0.01 -0.08 -0.04 0.93 0.69 2k7zA20 LEU 425 HD23 -0.13 0.00 0.08 -0.04 0.89 0.80 2k7zA20 CYS 426 H -0.08 0.64 0.27 -0.55 8.50 8.78 2k7zA20 CYS 426 HA -0.33 0.07 0.38 -0.75 4.58 3.94 2k7zA20 CYS 426 HB2 -0.09 0.05 0.16 -0.04 2.97 3.05 2k7zA20 CYS 426 HB3 -0.07 0.03 0.04 -0.04 2.97 2.93 2k7zA20 GLN 427 H -0.08 0.09 -0.39 -0.55 8.47 7.54 2k7zA20 GLN 427 HA -0.09 0.17 0.76 -0.75 4.36 4.45 2k7zA20 GLN 427 HB2 -0.04 0.01 0.06 -0.04 2.15 2.13 2k7zA20 GLN 427 HB3 -0.04 0.02 0.04 -0.04 2.02 2.00 2k7zA20 GLN 427 HG2 -0.03 -0.03 0.14 -0.04 2.40 2.44 2k7zA20 GLN 427 HG3 -0.04 0.03 -0.30 -0.04 2.39 2.03 2k7zA20 GLN 427 HE21 -0.02 -0.01 -0.04 -0.04 6.97 6.86 2k7zA20 GLN 427 HE22 -0.00 -0.02 -0.04 -0.04 7.69 7.59 2k7zA20 SER 428 H -0.11 0.08 -0.39 -0.55 8.46 7.50 2k7zA20 SER 428 HA -0.09 0.12 0.52 -0.75 4.49 4.29 2k7zA20 SER 428 HB2 -0.12 0.12 0.04 -0.04 3.95 3.95 2k7zA20 SER 428 HB3 -0.12 0.01 -0.03 -0.04 3.93 3.75 2k7zA20 LEU 429 H -0.18 0.53 -0.06 -0.55 8.37 8.11 2k7zA20 LEU 429 HA -0.15 0.13 0.52 -0.75 4.35 4.09 2k7zA20 LEU 429 HB2 -0.21 -0.04 -0.07 -0.04 1.64 1.28 2k7zA20 LEU 429 HB3 -0.22 0.08 -0.03 -0.04 1.64 1.43 2k7zA20 LEU 429 HG -0.38 -0.06 -0.03 -0.04 1.64 1.13 2k7zA20 LEU 429 HD13 -0.48 -0.01 -0.26 -0.04 0.93 0.14 2k7zA20 LEU 429 HD23 -0.74 -0.01 -0.12 -0.04 0.89 -0.03 2k7zA20 ARG 430 H -0.20 0.15 -0.37 -0.55 8.46 7.48 2k7zA20 ARG 430 HA -0.24 0.07 0.27 -0.75 4.34 3.68 2k7zA20 ARG 430 HB2 -0.15 -0.02 0.08 -0.04 1.90 1.77 2k7zA20 ARG 430 HB3 -0.18 0.13 0.12 -0.04 1.80 1.83 2k7zA20 ARG 430 HG2 -0.11 0.02 0.05 -0.04 1.67 1.59 2k7zA20 ARG 430 HG3 -0.10 0.03 -0.17 -0.04 1.67 1.39 2k7zA20 ARG 430 HD2 -0.06 -0.02 0.00 -0.04 3.22 3.11 2k7zA20 ARG 430 HD3 -0.06 -0.10 0.05 -0.04 3.22 3.07 2k7zA20 GLU 431 H -0.11 0.18 -0.41 -0.55 8.60 7.71 2k7zA20 GLU 431 HA -0.08 0.11 0.48 -0.75 4.29 4.04 2k7zA20 GLU 431 HB2 -0.06 -0.02 0.04 -0.04 2.09 2.01 2k7zA20 GLU 431 HB3 -0.07 -0.00 0.06 -0.04 1.99 1.94 2k7zA20 GLU 431 HG2 -0.09 -0.02 0.07 -0.04 2.34 2.27 2k7zA20 GLU 431 HG3 -0.07 0.04 -0.16 -0.04 2.34 2.11 2k7zA20 ARG 432 H -0.10 0.19 -0.43 -0.55 8.46 7.57 2k7zA20 ARG 432 HA -0.07 0.11 0.49 -0.75 4.34 4.12 2k7zA20 ARG 432 HB2 -0.09 0.08 0.07 -0.04 1.90 1.92 2k7zA20 ARG 432 HB3 -0.10 -0.02 0.06 -0.04 1.80 1.70 2k7zA20 ARG 432 HG2 -0.06 -0.05 0.07 -0.04 1.67 1.58 2k7zA20 ARG 432 HG3 -0.07 -0.01 -0.00 -0.04 1.67 1.55 2k7zA20 ARG 432 HD2 -0.10 0.03 -0.03 -0.04 3.22 3.07 2k7zA20 ARG 432 HD3 -0.08 -0.09 -0.03 -0.04 3.22 2.98 2k7zA20 CYS 433 H -0.11 0.17 -0.57 -0.55 8.50 7.45 2k7zA20 CYS 433 HA -0.05 -0.08 0.47 -0.75 4.58 4.17 2k7zA20 CYS 433 HB2 -0.15 0.25 0.08 -0.04 2.97 3.10 2k7zA20 CYS 433 HB3 -0.08 0.05 -0.05 -0.04 2.97 2.85 2k7zA20 PRO 434 HA -0.02 -0.01 0.05 -0.51 4.44 3.95 2k7zA20 PRO 434 HB2 -0.03 -0.03 0.15 -0.04 2.28 2.33 2k7zA20 PRO 434 HB3 -0.02 0.06 0.11 -0.04 2.02 2.13 2k7zA20 PRO 434 HG2 -0.04 0.06 0.05 -0.04 2.03 2.06 2k7zA20 PRO 434 HG3 -0.05 0.02 0.06 -0.04 2.03 2.02 2k7zA20 PRO 434 HD2 -0.07 0.13 -0.29 -0.04 3.68 3.41 2k7zA20 PRO 434 HD3 -0.07 0.14 0.05 -0.04 3.65 3.72 2k7zA20 ARG 435 H -0.03 0.63 0.35 -0.55 8.46 8.86 2k7zA20 ARG 435 HA -0.03 0.13 0.78 -0.75 4.34 4.46 2k7zA20 ARG 435 HB2 -0.04 0.08 0.06 -0.04 1.90 1.97 2k7zA20 ARG 435 HB3 -0.03 -0.11 -0.02 -0.04 1.80 1.60 2k7zA20 ARG 435 HG2 -0.04 0.04 -0.78 -0.04 1.67 0.85 2k7zA20 ARG 435 HG3 -0.05 0.01 -0.09 -0.04 1.67 1.50 2k7zA20 ARG 435 HD2 -0.03 -0.02 0.08 -0.04 3.22 3.21 2k7zA20 ARG 435 HD3 -0.04 0.03 -0.04 -0.04 3.22 3.13 2k7zA20 GLY 436 H -0.03 0.32 0.26 -0.55 8.43 8.43 2k7zA20 GLY 436 HA2 -0.08 -0.05 0.33 -0.51 4.01 3.71 2k7zA20 GLY 436 HA3 -0.05 0.17 0.76 -0.51 4.01 4.38 2k7zA20 ASP 437 H -0.03 0.11 0.03 -0.55 8.40 7.97 2k7zA20 ASP 437 HA -0.01 0.10 0.58 -0.75 4.63 4.54 2k7zA20 ASP 437 HB2 -0.03 0.05 0.05 -0.04 2.71 2.73 2k7zA20 ASP 437 HB3 -0.04 0.07 -0.04 -0.04 2.70 2.65 2k7zA20 ASP 438 H -0.03 0.12 0.16 -0.55 8.40 8.11 2k7zA20 ASP 438 HA 0.04 0.09 0.74 -0.75 4.63 4.75 2k7zA20 ASP 438 HB2 0.02 0.14 0.04 -0.04 2.71 2.88 2k7zA20 ASP 438 HB3 0.02 0.06 0.03 -0.04 2.70 2.77 2k7zA20 ILE 439 H 0.10 0.42 0.38 -0.55 8.25 8.60 2k7zA20 ILE 439 HA -0.01 0.08 0.37 -0.75 4.18 3.85 2k7zA20 ILE 439 HB 0.14 0.05 0.06 -0.04 1.89 2.10 2k7zA20 ILE 439 HG12 0.09 -0.02 -0.12 -0.04 1.49 1.40 2k7zA20 ILE 439 HG13 -0.02 -0.04 0.04 -0.04 1.21 1.15 2k7zA20 ILE 439 HG23 0.16 0.03 -0.10 -0.04 0.93 0.98 2k7zA20 ILE 439 HD13 -0.12 0.02 -0.10 -0.04 0.88 0.64 2k7zA20 LEU 440 H -0.01 0.19 -0.30 -0.55 8.37 7.71 2k7zA20 LEU 440 HA -0.05 0.07 0.34 -0.75 4.35 3.95 2k7zA20 LEU 440 HB2 -0.15 0.00 -0.01 -0.04 1.64 1.44 2k7zA20 LEU 440 HB3 -0.06 0.05 0.02 -0.04 1.64 1.62 2k7zA20 LEU 440 HG 0.05 0.07 0.13 -0.04 1.64 1.85 2k7zA20 LEU 440 HD13 0.14 0.02 0.01 -0.04 0.93 1.06 2k7zA20 LEU 440 HD23 0.10 -0.00 -0.05 -0.04 0.89 0.90 2k7zA20 THR 441 H -0.19 0.37 -0.28 -0.55 8.28 7.63 2k7zA20 THR 441 HA -0.41 0.14 0.64 -0.75 4.39 4.01 2k7zA20 THR 441 HB -0.14 0.05 0.09 -0.04 4.32 4.29 2k7zA20 THR 441 HG23 -0.14 0.01 -0.04 -0.04 1.22 1.02 2k7zA20 ILE 442 H -0.12 0.40 -0.03 -0.55 8.25 7.95 2k7zA20 ILE 442 HA -0.12 0.06 0.29 -0.75 4.18 3.66 2k7zA20 ILE 442 HB -0.09 0.02 0.10 -0.04 1.89 1.88 2k7zA20 ILE 442 HG12 -0.08 0.02 -0.11 -0.04 1.49 1.29 2k7zA20 ILE 442 HG13 -0.06 0.07 -0.27 -0.04 1.21 0.90 2k7zA20 ILE 442 HG23 -0.12 0.02 -0.11 -0.04 0.93 0.67 2k7zA20 ILE 442 HD13 -0.05 0.04 -0.19 -0.04 0.88 0.65 2k7zA20 LEU 443 H -0.09 0.56 -0.16 -0.55 8.37 8.12 2k7zA20 LEU 443 HA -0.10 0.02 0.39 -0.75 4.35 3.90 2k7zA20 LEU 443 HB2 -0.03 0.09 -0.04 -0.04 1.64 1.61 2k7zA20 LEU 443 HB3 -0.03 -0.02 0.05 -0.04 1.64 1.60 2k7zA20 LEU 443 HG -0.00 0.19 0.03 -0.04 1.64 1.82 2k7zA20 LEU 443 HD13 0.06 -0.02 -0.15 -0.04 0.93 0.77 2k7zA20 LEU 443 HD23 0.04 -0.02 -0.05 -0.04 0.89 0.81 2k7zA20 THR 444 H -0.14 0.24 -0.62 -0.55 8.28 7.21 2k7zA20 THR 444 HA -0.08 0.08 0.70 -0.75 4.39 4.34 2k7zA20 THR 444 HB -0.02 -0.04 0.12 -0.04 4.32 4.34 2k7zA20 THR 444 HG23 -0.05 0.03 -0.00 -0.04 1.22 1.16 2k7zA20 GLU 445 H -0.15 0.33 -0.21 -0.55 8.60 8.03 2k7zA20 GLU 445 HA -0.14 -0.01 0.26 -0.75 4.29 3.65 2k7zA20 GLU 445 HB2 -0.13 -0.02 0.13 -0.04 2.09 2.03 2k7zA20 GLU 445 HB3 -0.16 0.04 0.05 -0.04 1.99 1.88 2k7zA20 GLU 445 HG2 -0.12 -0.00 -0.04 -0.04 2.34 2.13 2k7zA20 GLU 445 HG3 -0.14 -0.01 0.03 -0.04 2.34 2.18 2k7zA20 VAL 446 H -0.24 0.17 -0.47 -0.55 8.24 7.15 2k7zA20 VAL 446 HA -0.61 0.06 0.25 -0.75 4.13 3.07 2k7zA20 VAL 446 HB -0.32 0.08 -0.02 -0.04 2.12 1.81 2k7zA20 VAL 446 HG13 -0.67 -0.03 -0.01 -0.04 0.97 0.22 2k7zA20 VAL 446 HG23 -0.23 0.00 0.04 -0.04 0.95 0.72 2k7zA20 PRO 464 HA 0.03 -0.13 0.32 -0.51 4.44 4.15 2k7zA20 PRO 464 HB2 0.04 0.14 0.01 -0.04 2.28 2.43 2k7zA20 PRO 464 HB3 0.03 -0.06 0.08 -0.04 2.02 2.03 2k7zA20 PRO 464 HG2 -0.01 0.08 0.07 -0.04 2.03 2.13 2k7zA20 PRO 464 HG3 -0.01 -0.05 0.05 -0.04 2.03 1.99 2k7zA20 PRO 464 HD2 0.00 -0.03 0.04 -0.04 3.68 3.66 2k7zA20 PRO 464 HD3 0.01 -0.04 0.05 -0.04 3.65 3.63 2k7zA20 GLN 465 H 0.04 0.05 0.13 -0.55 8.47 8.15 2k7zA20 GLN 465 HA 0.03 -0.01 0.48 -0.75 4.36 4.11 2k7zA20 GLN 465 HB2 0.05 -0.06 0.01 -0.04 2.15 2.11 2k7zA20 GLN 465 HB3 0.05 0.01 -0.44 -0.04 2.02 1.60 2k7zA20 GLN 465 HG2 0.02 0.11 -0.28 -0.04 2.40 2.20 2k7zA20 GLN 465 HG3 0.03 -0.06 -0.06 -0.04 2.39 2.25 2k7zA20 GLN 465 HE21 0.00 0.10 -0.16 -0.04 6.97 6.88 2k7zA20 GLN 465 HE22 0.06 -0.08 -0.16 -0.04 7.69 7.47 2k7zA20 PRO 466 HA 0.02 0.12 0.41 -0.51 4.44 4.49 2k7zA20 PRO 466 HB2 0.15 0.01 -0.12 -0.04 2.28 2.28 2k7zA20 PRO 466 HB3 0.02 0.09 -0.07 -0.04 2.02 2.02 2k7zA20 PRO 466 HG2 0.11 0.01 0.05 -0.04 2.03 2.17 2k7zA20 PRO 466 HG3 0.03 0.06 0.13 -0.04 2.03 2.21 2k7zA20 PRO 466 HD2 0.04 -0.06 0.25 -0.04 3.68 3.87 2k7zA20 PRO 466 HD3 0.02 0.10 0.11 -0.04 3.65 3.84 2k7zA20 THR 467 H 0.04 0.31 0.16 -0.55 8.28 8.24 2k7zA20 THR 467 HA -0.05 0.15 0.86 -0.75 4.39 4.59 2k7zA20 THR 467 HB -0.03 -0.11 0.24 -0.04 4.32 4.38 2k7zA20 THR 467 HG23 -0.05 -0.02 -0.03 -0.04 1.22 1.07 2k7zA20 PHE 468 H -0.29 0.26 0.11 -0.55 8.34 7.86 2k7zA20 PHE 468 HA -0.04 0.04 1.05 -0.75 4.62 4.92 2k7zA20 PHE 468 HB2 -0.01 -0.10 0.08 -0.04 3.15 3.09 2k7zA20 PHE 468 HB3 -0.03 0.07 0.02 -0.04 3.06 3.09 2k7zA20 PHE 468 HD2 -0.01 -0.04 -0.08 -0.04 7.28 7.11 2k7zA20 PHE 468 HE2 -0.00 0.00 -0.01 -0.04 7.38 7.33 2k7zA20 PHE 468 HZ -0.00 -0.01 -0.00 -0.04 7.32 7.27 2k7zA20 THR 469 H 0.05 0.28 0.09 -0.55 8.28 8.14 2k7zA20 THR 469 HA -0.03 0.08 0.63 -0.75 4.39 4.31 2k7zA20 THR 469 HB -0.00 0.04 0.21 -0.04 4.32 4.53 2k7zA20 THR 469 HG23 -0.14 0.00 -0.00 -0.04 1.22 1.04 2k7zA20 LEU 470 H 0.09 0.28 0.07 -0.55 8.37 8.26 2k7zA20 LEU 470 HA 0.09 0.08 0.43 -0.75 4.35 4.19 2k7zA20 LEU 470 HB2 0.10 0.09 -0.09 -0.04 1.64 1.70 2k7zA20 LEU 470 HB3 0.10 -0.05 -0.05 -0.04 1.64 1.59 2k7zA20 LEU 470 HG 0.11 0.09 -0.57 -0.04 1.64 1.23 2k7zA20 LEU 470 HD13 0.09 -0.01 -0.35 -0.04 0.93 0.63 2k7zA20 LEU 470 HD23 0.11 0.04 -0.21 -0.04 0.89 0.79 2k7zA20 ARG 471 H 0.07 0.19 0.32 -0.55 8.46 8.48 2k7zA20 ARG 471 HA 0.05 0.06 0.55 -0.75 4.34 4.25 2k7zA20 ARG 471 HB2 0.06 0.01 0.22 -0.04 1.90 2.14 2k7zA20 ARG 471 HB3 0.05 0.00 -0.01 -0.04 1.80 1.80 2k7zA20 ARG 471 HG2 0.04 -0.01 0.04 -0.04 1.67 1.69 2k7zA20 ARG 471 HG3 0.03 -0.02 0.09 -0.04 1.67 1.73 2k7zA20 ARG 471 HD2 0.04 0.04 0.03 -0.04 3.22 3.29 2k7zA20 ARG 471 HD3 0.05 0.03 -0.00 -0.04 3.22 3.25 2k7zA20 LYS 472 H 0.07 0.01 -0.07 -0.55 8.42 7.87 2k7zA20 LYS 472 HA 0.05 0.16 0.67 -0.75 4.32 4.44 2k7zA20 LYS 472 HB2 0.06 0.02 -0.06 -0.04 1.87 1.86 2k7zA20 LYS 472 HB3 0.05 -0.08 0.14 -0.04 1.79 1.86 2k7zA20 LYS 472 HG2 0.04 0.02 -0.04 -0.04 1.46 1.45 2k7zA20 LYS 472 HG3 0.06 -0.03 0.03 -0.04 1.46 1.48 2k7zA20 LYS 472 HD2 0.05 0.04 0.05 -0.04 1.69 1.79 2k7zA20 LYS 472 HD3 0.04 -0.06 0.05 -0.04 1.68 1.67 2k7zA20 LYS 472 HE2 0.04 0.10 0.06 -0.04 2.99 3.15 2k7zA20 LYS 472 HE3 0.03 0.07 0.08 -0.04 2.99 3.14 2k7zA20 LYS 473 H 0.05 0.14 0.13 -0.55 8.42 8.19 2k7zA20 LYS 473 HA 0.07 0.15 0.75 -0.75 4.32 4.54 2k7zA20 LYS 473 HB2 0.06 0.09 -0.01 -0.04 1.87 1.96 2k7zA20 LYS 473 HB3 0.06 -0.05 0.12 -0.04 1.79 1.88 2k7zA20 LYS 473 HG2 0.06 -0.07 -0.21 -0.04 1.46 1.20 2k7zA20 LYS 473 HG3 0.06 -0.04 -0.06 -0.04 1.46 1.38 2k7zA20 LYS 473 HD2 0.05 0.04 -0.03 -0.04 1.69 1.71 2k7zA20 LYS 473 HD3 0.06 0.02 -0.04 -0.04 1.68 1.68 2k7zA20 LYS 473 HE2 0.09 -0.02 -0.07 -0.04 2.99 2.94 2k7zA20 LYS 473 HE3 0.05 -0.06 -0.05 -0.04 2.99 2.88 2k7zA20 LEU 474 H 0.08 0.18 0.04 -0.55 8.37 8.13 2k7zA20 LEU 474 HA 0.09 0.23 0.75 -0.75 4.35 4.67 2k7zA20 LEU 474 HB2 0.11 0.04 -0.04 -0.04 1.64 1.71 2k7zA20 LEU 474 HB3 0.13 -0.14 0.11 -0.04 1.64 1.70 2k7zA20 LEU 474 HG 0.26 0.05 -0.10 -0.04 1.64 1.80 2k7zA20 LEU 474 HD13 0.12 0.03 -0.19 -0.04 0.93 0.85 2k7zA20 LEU 474 HD23 0.12 -0.00 -0.15 -0.04 0.89 0.81 2k7zA20 VAL 475 H 0.03 0.35 0.11 -0.55 8.24 8.18 2k7zA20 VAL 475 HA 0.12 -0.07 0.95 -0.75 4.13 4.38 2k7zA20 VAL 475 HB 0.00 -0.11 0.02 -0.04 2.12 1.99 2k7zA20 VAL 475 HG13 -0.01 0.10 -0.26 -0.04 0.97 0.75 2k7zA20 VAL 475 HG23 0.05 -0.02 -0.30 -0.04 0.95 0.64 2k7zA20 PHE 476 H 0.19 0.27 0.11 -0.55 8.34 8.36 2k7zA20 PHE 476 HA 0.04 0.19 0.87 -0.75 4.62 4.96 2k7zA20 PHE 476 HB2 -0.03 -0.09 0.12 -0.04 3.15 3.12 2k7zA20 PHE 476 HB3 -0.07 0.15 0.05 -0.04 3.06 3.15 2k7zA20 PHE 476 HD2 -0.04 -0.06 -0.25 -0.04 7.28 6.89 2k7zA20 PHE 476 HE2 -0.04 -0.01 -0.13 -0.04 7.38 7.16 2k7zA20 PHE 476 HZ 0.11 -0.04 -0.12 -0.04 7.32 7.23 2k7zA20 PRO 477 HA -0.04 0.06 0.51 -0.51 4.44 4.46 2k7zA20 PRO 477 HB2 -0.05 -0.07 0.14 -0.04 2.28 2.25 2k7zA20 PRO 477 HB3 -0.12 -0.06 0.12 -0.04 2.02 1.93 2k7zA20 PRO 477 HG2 -0.02 0.21 -0.04 -0.04 2.03 2.14 2k7zA20 PRO 477 HG3 -0.09 -0.11 0.06 -0.04 2.03 1.85 2k7zA20 PRO 477 HD2 -0.13 0.18 0.19 -0.04 3.68 3.88 2k7zA20 PRO 477 HD3 -0.11 0.03 -0.05 -0.04 3.65 3.48 2k7zA20 SER 478 H -0.02 0.07 0.08 -0.55 8.46 8.04 2k7zA20 SER 478 HA 0.01 0.19 0.62 -0.75 4.49 4.55 2k7zA20 SER 478 HB2 -0.01 0.07 0.05 -0.04 3.95 4.02 2k7zA20 SER 478 HB3 -0.02 -0.04 0.01 -0.04 3.93 3.85 2k7zA20 ASP 479 H 0.01 0.03 -0.16 -0.55 8.40 7.73 2k7zA20 ASP 479 HA 0.13 0.30 0.46 -0.75 4.63 4.76 2k7zA20 ASP 479 HB2 0.00 -0.08 -0.00 -0.04 2.71 2.59 2k7zA20 ASP 479 HB3 0.03 0.04 0.00 -0.04 2.70 2.73